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The distinguishing structural feature of single-layered black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a new parameterization of the Stillinger–Weber potential for single-layered black phosphorus. In doing so, we reveal the importance of a cross-pucker interaction term in capturing its unique mechanical properties, such as a negative Poisson's ratio. In particular, we show that the cross-pucker interaction enables the pucker to act as a re-entrant hinge, which expands in the lateral direction when it is stretched in the longitudinal direction. As a consequence, single-layered black phosphorus has a negative Poisson's ratio in the direction perpendicular to the atomic plane. As an additional demonstration of the impact of the cross-pucker interaction, we show that it is also the key factor that enables capturing the edge stress-induced bending of single-layered black phosphorus that has been reported in ab initio calculations.
A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage
(2014)
Renewable energy resources such as wind and solar are intermittent, which causes instability when being connected to utility grid of electricity. Compressed air energy storage (CAES) provides an economic and technical viable solution to this problem by utilizing subsurface rock cavern to store the electricity generated by renewable energy in the form of compressed air. Though CAES has been used for over three decades, it is only restricted to salt rock or aquifers for air tightness reason. In this paper, the technical feasibility of utilizing hard rock for CAES is investigated by using a coupled thermo-hydro-mechanical (THM) modelling of nonisothermal gas flow. Governing equations are derived from the rules of energy balance, mass balance, and static equilibrium. Cyclic volumetric mass source and heat source models are applied to simulate the gas injection and production. Evaluation is carried out for intact rock and rock with discrete crack, respectively. In both cases, the heat and pressure losses using air mass control and supplementary air injection are compared.
Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12–16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications.
The Carbon journal is pleased to introduce a themed collection of recent articles in the area of computational carbon nanoscience. This virtual special issue was assembled from previously published Carbon articles by Guest Editors Quan Wang and Behrouz Arash, and can be accessed as a set in the special issue section of the journal website homepage: www.journals.elsevier.com/carbon. The article below by our guest editors serves as an introduction to this virtual special issue, and also a commentary on the growing role of computation as a tool to understand the synthesis and properties of carbon nanoforms and their behavior in composite materials.
Water content is a key parameter to monitor in nuclear waste repositories such as the planed underground repository in Bure, France, in the Callovo-Oxfordian (COx) clay formation. High-frequency electromagnetic (HF-EM) measurement techniques, i.e., time or frequency domain reflectometry, offer useful tools for quantitative estimation of water content in porous media. However, despite the efficiency of HF-EM methods, the relationship between water content and dielectric material properties needs to be characterized. Moreover, the high amount of swelling clay in the COx clay leads to dielectric relaxation effects which induce strong dispersion coupled with high absorption of EM waves. Against this background, the dielectric relaxation behavior of the clay rock was studied at frequencies from 1 MHz to 10 GHz with network analyzer technique in combination with coaxial transmission line cells. For this purpose, undisturbed and disturbed clay rock samples were conditioned to achieve a water saturation range from 0.16 to nearly saturation. The relaxation behavior was quantified based on a generalized fractional relaxation model under consideration of an apparent direct current conductivity assuming three relaxation processes: a high-frequency water process and two interface processes which are related to interactions between the aqueous pore solution and mineral particles (adsorbed/hydrated water relaxation, counter ion relaxation and Maxwell-Wagner effects). The frequency-dependent HF-EM properties were further modeled based on a novel hydraulic-mechanical-electromagnetic coupling approach developed for soils. The results show the potential of HF-EM techniques for quantitative monitoring of the hydraulic state in underground repositories in clay formations.
This paper presents a novel numerical procedure based on the combination of an edge-based smoothed finite element (ES-FEM) with a phantom-node method for 2D linear elastic fracture mechanics. In the standard phantom-node method, the cracks are formulated by adding phantom nodes, and the cracked element is replaced by two new superimposed elements. This approach is quite simple to implement into existing explicit finite element programs. The shape functions associated with discontinuous elements are similar to those of the standard finite elements, which leads to certain simplification with implementing in the existing codes. The phantom-node method allows modeling discontinuities at an arbitrary location in the mesh. The ES-FEM model owns a close-to-exact stiffness that is much softer than lower-order finite element methods (FEM). Taking advantage of both the ES-FEM and the phantom-node method, we introduce an edge-based strain smoothing technique for the phantom-node method. Numerical results show that the proposed method achieves high accuracy compared with the extended finite element method (XFEM) and other reference solutions.
A simple multiscale analysis framework for heterogeneous solids based on a computational homogenization technique is presented. The macroscopic strain is linked kinematically to the boundary displacement of a circular or spherical representative volume which contains the microscopic information of the material. The macroscopic stress is obtained from the energy principle between the macroscopic scale and the microscopic scale. This new method is applied to several standard examples to show its accuracy and consistency of the method proposed.
Spatial time domain reflectometry (spatial TDR) is a new measurement method for determining water content profiles along elongated probes (transmission lines). The method is based on the inverse modeling of TDR reflectograms using an optimization algorithm. By means of using flat ribbon cables it is possible to take two independent TDRmeasurements from both ends of the probe, which are used to improve the spatial information content of the optimization results and to consider effects caused by electrical conductivity. The method has been used for monitoring water content distributions on a full-scale levee model made of well-graded clean sand. Flood simulation tests, irrigation tests, and long-term observations were carried out on the model. The results show that spatial TDR is able to determine water content distributions with an accuracy of the spatial resolution of about ±3 cm compared to pore pressure measurements and an average deviation of ±2 vol % compared to measurements made using another independent TDR measurement system.
A known phenomenon during laser welding of thin sheets is the deformation caused by thermally induced stresses. This deformation can result in a change of the gap width between the welded parts, which leads to an unstable welding process. Inducing displacements by using a second heat source will compensate for the change in gap width, hence optimizing the welding process. The base material is 1 mm thick austenitic stainless steel 1.4301, which is welded by a CO2 laser. The second heat source is a diode laser. The gap between the welded parts was set between 0.05 mm and 0.1 mm. The influence of the second heat source on the welding process and the welding result is described. The usage of a second heat source allows a higher gap width to be set prior to the welding process. The results of the numerical simulation were found to be corresponding to those of the experiments.
Strain measurement is important in mechanical testing. A wide variety of techniques exists for measuring strain in the tensile test; namely the strain gauge, extensometer, stress and strain determined by machine crosshead motion, Geometric Moire technique, optical strain measurement techniques and others. Each technique has its own advantages and disadvantages. The purpose of this study is to quantitatively compare the strain measurement techniques. To carry out the tensile test experiments for S 235, sixty samples were cut from the web of the I-profile in longitudinal and transverse directions in four different dimensions. The geometry of samples are analysed by 3D scanner and vernier caliper. In addition, the strain values were determined by using strain gauge, extensometer and machine crosshead motion. Three techniques of strain measurement are compared in quantitative manner based on the calculation of mechanical properties (modulus of elasticity, yield strength, tensile strength, percentage elongation at maximum force) of structural steel. A statistical information was used for evaluating the results. It is seen that the extensometer and strain gauge provided reliable data, however the extensometer offers several advantages over the strain gauge and crosshead motion for testing structural steel in tension. Furthermore, estimation of measurement uncertainty is presented for the basic material parameters extracted through strain measurement.
Stonecutters and Sutong Bridge have pushed the world record for main span length of cable-stayed bridges to over 1000m. The design of these bridges, both located in typhoon prone regions, is strongly influenced by wind effects during their erection. Rigorous wind tunnel test programmes have been devised and executed to determine the aerodynamic behaviour of the structures in the most critical erection conditions. Testing was augmented by analytical and numerical analyses to verify the safety of the structures throughout construction and to ensure that no serviceability problems would affect the erection process. This paper outlines the wind properties assumed for the bridge sites, the experimental test programme with some of its results, the dynamic properties of the bridges during free cantilevering erection and the assessment of their aerodynamic performance. Along the way, it discusses the similarities and some revealing differences between the two bridges in terms of their dynamic response to wind action.
Lack of Information technology applications on construction projects lead to complex flow of data during project life cycle. Building Information Modeling (BIM) has gained attention in the Architectural, Engineering and Construction (AEC) industry, envisage the use of virtual n-dimensional (n-D) models to identify potential conflicts in design, construction or operational of any facility. A questionnaire has been designed to investigate perceptions regarding BIM advantages. Around 102 valid responses received from diversified stakeholders. Results showed very low BIM adoption with low level of ‘Buzz’. BIM is a faster and more effective method for designing and construction management, it improves quality of the design and construction and reduces rework during construction; which came out as the top thee advantages according to the perception of AEC professionals of Pakistan.BIM has least impact on reduction of cost, time and human resources. This research is a bench mark study to understand adoption and advantageous of BIM in Pakistan Construction Industry.
Rice husk ash (RHA) is classified as a highly reactive pozzolan. It has a very high silica content similar to that of silica fume (SF). Using less-expensive and locally available RHA as a mineral admixture in concrete brings ample benefits to the costs, the technical properties of concrete as well as to the environment. An experimental study of the effect of RHA blending on workability, strength and durability of high performance fine-grained concrete (HPFGC) is presented. The results show that the addition of RHA to HPFGC improved significantly compressive strength, splitting tensile strength and chloride penetration resistance. Interestingly, the ratio of compressive strength to splitting tensile strength of HPFGC was lower than that of ordinary concrete, especially for the concrete made with 20 % RHA. Compressive strength and splitting tensile strength of HPFGC containing RHA was similar and slightly higher, respectively, than for HPFGC containing SF. Chloride penetration resistance of HPFGC containing 10–15 % RHA was comparable with that of HPFGC containing 10 % SF.
Flow velocity is generally presumed to influence flood damage. However, this influence is hardly quantified and virtually no damage models take it into account. Therefore, the influences of flow velocity, water depth and combinations of these two impact parameters on various types of flood damage were investigated in five communities affected by the Elbe catchment flood in Germany in 2002. 2-D hydraulic models with high to medium spatial resolutions were used to calculate the impact parameters at the sites in which damage occurred. A significant influence of flow velocity on structural damage, particularly on roads, could be shown in contrast to a minor influence on monetary losses and business interruption. Forecasts of structural damage to road infrastructure should be based on flow velocity alone. The energy head is suggested as a suitable flood impact parameter for reliable forecasting of structural damage to residential buildings above a critical impact level of 2m of energy head or water depth. However, general consideration of flow velocity in flood damage modelling, particularly for estimating monetary loss, cannot be recommended.
In this study, an application of evolutionary multi-objective optimization algorithms on the optimization of sandwich structures is presented. The solution strategy is known as Elitist Non-Dominated Sorting Evolution Strategy (ENSES) wherein Evolution Strategies (ES) as Evolutionary Algorithm (EA) in the elitist Non-dominated Sorting Genetic algorithm (NSGA-II) procedure. Evolutionary algorithm seems a compatible approach to resolve multi-objective optimization problems because it is inspired by natural evolution, which closely linked to Artificial Intelligence (AI) techniques and elitism has shown an important factor for improving evolutionary multi-objective search. In order to evaluate the notion of performance by ENSES, the well-known study case of sandwich structures are reconsidered. For Case 1, the goals of the multi-objective optimization are minimization of the deflection and the weight of the sandwich structures. The length, the core and skin thicknesses are the design variables of Case 1. For Case 2, the objective functions are the fabrication cost, the beam weight and the end deflection of the sandwich structures. There are four design variables i.e., the weld height, the weld length, the beam depth and the beam width in Case 2. Numerical results are presented in terms of Paretooptimal solutions for both evaluated cases.
Broadband electromagnetic frequency or time domain sensor techniques present high potential for quantitative water content monitoring in porous media. Prior to in situ application, the impact of the relationship between the broadband electromagnetic properties of the porous material (clay-rock) and the water content on the frequency or time domain sensor response is required. For this purpose, dielectric properties of intact clay rock samples experimental determined in the frequency range from 1 MHz to 10 GHz were used as input data in 3-D numerical frequency domain finite element field calculations to model the one port broadband frequency or time domain transfer function for a three rods based sensor embedded in the clay-rock. The sensor response in terms of the reflection factor was analyzed in time domain with classical travel time analysis in combination with an empirical model according to Topp equation, as well as the theoretical Lichtenecker and Rother model (LRM) to estimate the volumetric water content. The mixture equation considering the appropriate porosity of the investigated material provide a practical and efficient approach for water content estimation based on classical travel time analysis with the onset-method. The inflection method is not recommended for water content estimation in electrical dispersive and absorptive material. Moreover, the results clearly indicate that effects due to coupling of the sensor to the material cannot be neglected. Coupling problems caused by an air gap lead to dramatic effects on water content estimation, even for submillimeter gaps. Thus, the quantitative determination of the in situ water content requires careful sensor installation in order to reach a perfect probe clay rock coupling.
Building Information Modeling is a powerful tool for the design and for a consistent set of data in a virtual storage. For the application in the phases of realization and on site it needs further development. The paper describes main challenges and main features, which will help the development of software to better service the needs of construction site managers
The node moving and multistage node enrichment adaptive refinement procedures are extended in mixed discrete least squares meshless (MDLSM) method for efficient analysis of elasticity problems. In the formulation of MDLSM method, mixed formulation is accepted to avoid second-order differentiation of shape functions and to obtain displacements and stresses simultaneously. In the refinement procedures, a robust error estimator based on the value of the least square residuals functional of the governing differential equations and its boundaries at nodal points is used which is inherently available from the MDLSM formulation and can efficiently identify the zones with higher numerical errors. The results are compared with the refinement procedures in the irreducible formulation of discrete least squares meshless (DLSM) method and show the accuracy and efficiency of the proposed procedures. Also, the comparison of the error norms and convergence rate show the fidelity of the proposed adaptive refinement procedures in the MDLSM method.
Different types of data provide different type of information. The present research analyzes the error on prediction obtained under different data type availability for calibration. The contribution of different measurement types to model calibration and prognosis are evaluated. A coupled 2D hydro-mechanical model of a water retaining dam is taken as an example. Here, the mean effective stress in the porous skeleton is reduced due to an increase in pore water pressure under drawdown conditions. Relevant model parameters are identified by scaled sensitivities. Then, Particle Swarm Optimization is applied to determine the optimal parameter values and finally, the error in prognosis is determined. We compare the predictions of the optimized models with results from a forward run of the reference model to obtain the actual prediction errors. The analyses presented here were performed calibrating the hydro-mechanical model to 31 data sets of 100 observations of varying data types. The prognosis results improve when using diversified information for calibration. However, when using several types of information, the number of observations has to be increased to be able to cover a representative part of the model domain. For an analysis with constant number of observations, a compromise between data type availability and domain coverage proves to be the best solution. Which type of calibration information contributes to the best prognoses could not be determined in advance. The error in model prognosis does not depend on the error in calibration, but on the parameter error, which unfortunately cannot be determined in inverse problems since we do not know its real value. The best prognoses were obtained independent of calibration fit. However, excellent calibration fits led to an increase in prognosis error variation. In the case of excellent fits; parameters' values came near the limits of reasonable physical values more often. To improve the prognoses reliability, the expected value of the parameters should be considered as prior information on the optimization algorithm.
Previous publications about biochar in anaerobic digestion show encouraging results with regard to increased biogas yields. This work investigates such effects in a solid-state fermentation of bio-waste. Unlike in previous trials, the influence of biochar is tested with a setup that simulates an industrial-scale biogas plant. Both the biogas and the methane yield increased around 5% with a biochar addition of 5%-based on organic dry matter biochar to bio-waste. An addition of 10% increased the yield by around 3%. While scaling effects prohibit a simple transfer of the results to industrial-scale plants, and although the certainty of the results is reduced by the heterogeneity of the bio-waste, further research in this direction seems promising.
Purpose of this study is to evaluate safety impact of the deceleration lane at the Upstream Zone of at-grade U-turns on 4-lane divided Thai highways. A substantial speed reduction is required by vehicles for diverging and making U-turn, and the deceleration lanes are provided for this purpose. These lanes are also providing a storage space for the U-turning vehicles to avoid unnecessary blockage of through lanes and reduce the potential of rear-end collisions. The safety at the U-turn is greatly influenced by the proper or improper use of the deceleration lanes. Subject to their length, full or partial speed adjustment can occur within the deceleration lane also the road users’ behavior is influenced. To assess the safety impact, the four groups of U-turns with the varying length of deceleration lanes were identified. Owing to limitation of availability and reliability of road crash data in Thailand, widely accepted Traffic Conflict Technique (TCT) was used as an alternative and proactive methodology. The U-turns’ geometric data, traffic conflicts and volume data were recorded in the field at 8 locations, 8 hours per location. Severity Conflict Rate (SCR) was assessed by applying a weighing factor (based on the severity grades according to the Czech TCT) to the observed conflicts related to the conflicting traffic volumes. A comparative higher value of SCR represents a lower level of safety. According to the results, increase in the functional length of the deceleration lane yields a lower value of SCR and a higher level of the road safety.
To assess the safety impact of auxiliary lanes at downstream locations of U-turns, the Traffic Conflict Technique was used. On the basis of the installed components at those locations, four types of U-turns were identified: those without any auxiliary lane, those with an acceleration lane, those with outer widening, and those with both an acceleration lane and outer widening. The available crash data is unreliable, therefore to assess the level of road safety, Conflict Indexes were formulated to put more emphasis on severe crashes than on slight ones by using two types of weighting coefficients. The first coefficient was based on the subjective assessment of the seriousness of the conflict situation and the second was based on the relative speed and angle between conflicting streams. A comparatively higher Conflict Index value represents a lower level of road safety. According to the results, a lower level of road safety occurs if two components apply or if a location is without any auxiliary lane. The highest level of road safety occurs if the layout includes only a single component, either an acceleration lane or outer widening.
The current study attempts to recognise an adequate classification for a semi-rigid beam-to-column connection by investigating strength, stiffness and ductility. For this purpose, an experimental test was carried out to investigate the moment-rotation (M-theta) features of flush end-plate (FEP) connections including variable parameters like size and number of bolts, thickness of end-plate, and finally, size of beams and columns. The initial elastic stiffness and ultimate moment capacity of connections were determined by an extensive analytical procedure from the proposed method prescribed by ANSI/AISC 360-10, and Eurocode 3 Part 1-8 specifications. The behaviour of beams with partially restrained or semi-rigid connections were also studied by incorporating classical analysis methods. The results confirmed that thickness of the column flange and end-plate substantially govern over the initial rotational stiffness of of flush end-plate connections. The results also clearly showed that EC3 provided a more reliable classification index for flush end-plate (FEP) connections. The findings from this study make significant contributions to the current literature as the actual response characteristics of such connections are non-linear. Therefore, such semirigid behaviour should be used to for an analysis and design method.
The fire resistance of concrete members is controlled by the temperature distribution of the considered cross section. The thermal analysis can be performed with the advanced temperature dependent physical properties provided by 5EN6 1992-1-2. But the recalculation of laboratory tests on columns from 5TU6 Braunschweig shows, that there are deviations between the calculated and measured temperatures. Therefore it can be assumed, that the mathematical formulation of these thermal properties could be improved. A sensitivity analysis is performed to identify the governing parameters of the temperature calculation and a nonlinear optimization method is used to enhance the formulation of the thermal properties. The proposed simplified properties are partly validated by the recalculation of measured temperatures of concrete columns. These first results show, that the scatter of the differences from the calculated to the measured temperatures can be reduced by the proposed simple model for the thermal analysis of concrete.
In this work different fibre optic sensors for the structural health monitoring of civil engineering structures are reported. A fibre optic crack sensor and two different fibre optic moisture sensors have been designed to detect the moisture ingress in concrete based building structures. Moreover, the degeneration of the mechanical properties of optical glass fibre sensors and hence their long-term stability and reliability due to the mechanical and chemical impact of the concrete environment is discussed as well as the advantage of applying a fibre optic sensor system for the structural health monitoring of sewerage tunnels is demonstrated.
In this study, the behavior of a widely graded soil prone to suffusion and necessity of homogeneity quantifi cation for such a soil in internal stability considerations are discussed. With the help of suffusion tests, the dependency of the particle washout to homogeneity of sample is shown. The validity of the great infl uence of homogeneity on suffusion processes by the presentation of arguments and evidences are established. It is emphasized that the internal stability of a widely graded soil cannot be directly correlated to the common geotechnical parameters such as dry density or permeability. The initiation and propagation of the suffusion processes are clearly a particle scale phenomenon, so the homogeneity of particle assemblies (micro-scale) has a decisive effect on particle rearrangement and washout processes. It is addressed that the guidelines for assessing internal stability lack a fundamental, scientifi c basis for quantifi cation of homogeneity. The observation of the segregation processes within the sample in an ascending layered order (for downwards fl ow) inspired the author to propose a new packing model for granular materials which are prone to internally instability.
It is shown that the particle arrangement, especially the arrangement of soil skeleton particles or the so-called primary fabric has the main role in suffusiv processes. Therefore, an experimental approach for identifi cation of the skeleton in the soil matrix is proposed. 3D models of Sequential Fill Tests using Discrete Element Method (DEM) and 3D models of granular packings for relative, stochastically and ideal homogeneous particle assemblies were generated, and simulations have been carried out.
Based on the numerical investigations and in dependency on the soil skeleton behavior, an approach for measurement of relevant scale, the so-called Representative Elementary Volume (REV) for homogeneity investigation is proposed. The development of a new testing method for quantifi cation of homogeneity is introduced (in-situ). An approach for quantifi cation of homogeneity in numerically or experimentally generated packings (samples) based on image processing method of MATLAB has been introduced. A generalized experimental method for assessment of internal stability for widely graded soils with dominant coarse matrix is developed, and a new suffusion criterion based on ideal homogeneous internally stable granular packing is designed.
My research emphasizes that in a widely graded soils with dominant coarse matrix, the soil fractions with diameters bigger than D60 build essentially the soil skeleton. The mass and spatial distribution of these fractions governs the internal stability, and the mass and distribution of the fi ll fractions are a secondary matter. For such a soil, the homogeneity of the skeleton must be cautiously measured and verified.
Nanostructured materials are extensively applied in many fields of material science for new industrial applications, particularly in the automotive, aerospace industry due to their exceptional physical and mechanical properties. Experimental testing of nanomaterials is expensive, timeconsuming,challenging and sometimes unfeasible. Therefore,computational simulations have been employed as alternative method to predict macroscopic material properties. The behavior of polymeric nanocomposites (PNCs) are highly complex.
The origins of macroscopic material properties reside in the properties and interactions taking place on finer scales. It is therefore essential to use multiscale modeling strategy to properly account for all large length and time scales associated with these material systems, which across many orders of magnitude. Numerous multiscale models of PNCs have been established, however, most of them connect only two scales. There are a few multiscale models for PNCs bridging four length scales (nano-, micro-, meso- and macro-scales). In addition, nanomaterials are stochastic in nature and the prediction of macroscopic mechanical properties are influenced by many factors such as fine-scale features. The predicted mechanical properties obtained by traditional approaches significantly deviate from the measured values in experiments due to neglecting uncertainty of material features. This discrepancy is indicated that the effective macroscopic properties of materials are highly sensitive to various sources of uncertainty, such as loading and boundary conditions and material characteristics, etc., while very few stochastic multiscale models for PNCs have been developed. Therefore, it is essential to construct PNC models within the framework of stochastic modeling and quantify the stochastic effect of the input parameters on the macroscopic mechanical properties of those materials.
This study aims to develop computational models at four length scales (nano-, micro-, meso- and macro-scales) and hierarchical upscaling approaches bridging length scales from nano- to macro-scales. A framework for uncertainty quantification (UQ) applied to predict the mechanical properties
of the PNCs in dependence of material features at different scales is studied. Sensitivity and uncertainty analysis are of great helps in quantifying the effect of input parameters, considering both main and interaction effects, on the mechanical properties of the PNCs. To achieve this major
goal, the following tasks are carried out:
At nano-scale, molecular dynamics (MD) were used to investigate deformation mechanism of glassy amorphous polyethylene (PE) in dependence of temperature and strain rate. Steered molecular dynamics (SMD)were also employed to investigate interfacial characteristic of the PNCs.
At mico-scale, we developed an atomistic-based continuum model represented by a representative volume element (RVE) in which the SWNT’s properties and the SWNT/polymer interphase are modeled at nano-scale, the surrounding polymer matrix is modeled by solid elements. Then, a two-parameter model was employed at meso-scale. A hierarchical multiscale approach has been developed to obtain the structure-property relations at one length scale and transfer the effect to the higher length
scales. In particular, we homogenized the RVE into an equivalent fiber.
The equivalent fiber was then employed in a micromechanical analysis (i.e. Mori-Tanaka model) to predict the effective macroscopic properties of the PNC. Furthermore, an averaging homogenization process was also used to obtain the effective stiffness of the PCN at meso-scale.
Stochastic modeling and uncertainty quantification consist of the following ingredients:
- Simple random sampling, Latin hypercube sampling, Sobol’ quasirandom sequences, Iman and Conover’s method (inducing correlation in Latin hypercube sampling) are employed to generate independent and dependent sample data, respectively.
- Surrogate models, such as polynomial regression, moving least squares (MLS), hybrid method combining polynomial regression and MLS, Kriging regression, and penalized spline regression, are employed as an approximation of a mechanical model. The advantage of the surrogate models is the high computational efficiency and robust as they can be constructed from a limited amount of available data.
- Global sensitivity analysis (SA) methods, such as variance-based methods for models with independent and dependent input parameters, Fourier-based techniques for performing variance-based methods and partial derivatives, elementary effects in the context of local SA, are used to quantify the effects of input parameters and their interactions on the mechanical properties of the PNCs. A bootstrap technique is used to assess the robustness of the global SA methods with respect to their performance.
In addition, the probability distribution of mechanical properties are determined by using the probability plot method. The upper and lower bounds of the predicted Young’s modulus according to 95 % prediction intervals were provided.
The above-mentioned methods study on the behaviour of intact materials. Novel numerical methods such as a node-based smoothed extended finite element method (NS-XFEM) and an edge-based smoothed phantom node method (ES-Phantom node) were developed for fracture problems. These methods can be used to account for crack at macro-scale for future works. The predicted mechanical properties were validated and verified. They show good agreement with previous experimental and simulations results.
Methods based on B-splines for model representation, numerical analysis and image registration
(2015)
The thesis consists of inter-connected parts for modeling and analysis using newly developed isogeometric methods. The main parts are reproducing kernel triangular B-splines, extended isogeometric analysis for solving weakly discontinuous problems, collocation methods using superconvergent points, and B-spline basis in image registration applications.
Each topic is oriented towards application of isogeometric analysis basis functions to ease the process of integrating the modeling and analysis phases of simulation.
First, we develop reproducing a kernel triangular B-spline-based FEM for solving PDEs. We review the triangular B-splines and their properties. By definition, the triangular basis function is very flexible in modeling complicated domains. However, instability results when it is applied for analysis. We modify the triangular B-spline by a reproducing kernel technique, calculating a correction term for the triangular kernel function from the chosen surrounding basis. The improved triangular basis is capable to obtain the results with higher accuracy and almost optimal convergence rates.
Second, we propose an extended isogeometric analysis for dealing with weakly discontinuous problems such as material interfaces. The original IGA is combined with XFEM-like enrichments which are continuous functions themselves but with discontinuous derivatives. Consequently, the resulting solution space can approximate solutions with weak discontinuities. The method is also applied to curved material interfaces, where the inverse mapping and the curved triangular elements are considered.
Third, we develop an IGA collocation method using superconvergent points. The collocation methods are efficient because no numerical integration is needed. In particular when higher polynomial basis applied, the method has a lower computational cost than Galerkin methods. However, the positions of the collocation points are crucial for the accuracy of the method, as they affect the convergent rate significantly. The proposed IGA collocation method uses superconvergent points instead of the traditional Greville abscissae points. The numerical results show the proposed method can have better accuracy and optimal convergence rates, while the traditional IGA collocation has optimal convergence only for even polynomial degrees.
Lastly, we propose a novel dynamic multilevel technique for handling image registration. It is application of the B-spline functions in image processing. The procedure considered aims to align a target image from a reference image by a spatial transformation. The method starts with an energy function which is the same as a FEM-based image registration. However, we simplify the solving procedure, working on the energy function directly. We dynamically solve for control points which are coefficients of B-spline basis functions. The new approach is more simple and fast. Moreover, it is also enhanced by a multilevel technique in order to prevent instabilities. The numerical testing consists of two artificial images, four real bio-medical MRI brain and CT heart images, and they show our registration method is accurate, fast and efficient, especially for large deformation problems.
Reinforced concrete walls are commonly selected as the lateral resisting systems in seismic design of buildings. The design procedure requires reliable/robust models to predict the wall response. Many researchers, thus, have focused on using the available experimental data to be able to comment on the quality of models at hand. What is missing though is an uncertain attitude towards the experimental data since such data can be affected by different sources of uncertainty. In this paper, we introduce the database created for model quality evaluation purposes considering the uncertainties in the experimental data. This is the first step of a larger study on experience-based model quality evaluation of reinforced concrete walls. Here, we briefly present the database as well as six sample validations of the developed numerical model (the quality of which is to be assessed). The database contains the information on nearly 300 wall specimens from about 50 sources. Both the database and the numerical model, built for uncertainty/sensitivity analysis purposes, are mainly based on ten parameters. These include geometry, material, reinforcement layout and loading properties. The validation results prove that the model is able to predict the wall response satisfactorily. Consequently, the validated numerical model could be used in further quality evaluation studies.
The polymeric clay nanocomposites are a new class of materials of which recently have become the centre of attention due to their superior mechanical and physical properties. Several studies have been performed on the mechanical characterisation of these nanocomposites; however most of those studies have neglected the effect of the interfacial region between the clays and the matrix despite of its significant influence on the mechanical performance of the nanocomposites.
There are different analytical methods to calculate the overall elastic material properties of the composites. In this study we use the Mori-Tanaka method to determine the overall stiffness of the composites for simple inclusion geometries of cylinder and sphere. Furthermore, the effect of interphase layer on the overall properties of composites is calculated. Here, we intend to get ounds for the effective mechanical properties to compare with the analytical results. Hence, we use linear displacement boundary conditions (LD) and uniform traction boundary conditions (UT) accordingly. Finally, the analytical results are compared with numerical results and they are in a good agreement.
The next focus of this dissertation is a computational approach with a hierarchical multiscale method on the mesoscopic level. In other words, in this study we use the stochastic analysis and computational homogenization method to analyse the effect of thickness and stiffness of the interfacial region on the overall elastic properties of the clay/epoxy nanocomposites. The results show that the increase in interphase thickness, reduces the stiffness of the clay/epoxy naocomposites and this decrease becomes significant in higher clay contents. The results of the sensitivity analysis prove that the stiffness of the interphase layer has more significant effect on the final stiffness of nanocomposites. We also validate the results with the available experimental results from the literature which show good agreement.
One major research focus in the Material Science and Engineering Community in the past decade has been to obtain a more fundamental understanding on the phenomenon 'material failure'. Such an understanding is critical for engineers and scientists developing new materials with higher strength and toughness, developing robust designs against failure, or for those concerned with an accurate estimate of a component's design life. Defects like cracks and dislocations evolve at
nano scales and influence the macroscopic properties such as strength, toughness and ductility of a material. In engineering applications, the global response of the system is often governed by the behaviour at the smaller length scales. Hence, the sub-scale behaviour must be computed accurately for good predictions of the full scale behaviour.
Molecular Dynamics (MD) simulations promise to reveal the fundamental mechanics of material failure by modeling the atom to atom interactions. Since the atomistic dimensions are of the order of Angstroms ( A), approximately 85 billion atoms are required to model a 1 micro- m^3 volume of Copper. Therefore, pure atomistic models are prohibitively expensive with everyday engineering computations involving macroscopic cracks and shear bands, which are much larger than the atomistic length and time scales. To reduce the computational effort, multiscale methods are required, which are able to couple a continuum description of the structure with an atomistic description. In such paradigms, cracks and dislocations are explicitly modeled at the atomistic scale, whilst a self-consistent continuum model elsewhere.
Many multiscale methods for fracture are developed for "fictitious" materials based on "simple" potentials such as the Lennard-Jones potential. Moreover, multiscale methods for evolving cracks are rare. Efficient methods to coarse grain the fine scale defects are missing. However, the existing multiscale methods for fracture do not adaptively adjust the fine scale domain as the crack propagates. Most methods, therefore only "enlarge" the fine scale domain and therefore drastically increase computational cost. Adaptive adjustment requires the fine scale domain to be refined and coarsened. One of the major difficulties in multiscale methods for fracture is to up-scale fracture related material information from the fine scale to the coarse scale, in particular for complex crack problems. Most of the existing approaches therefore were applied to examples with comparatively few macroscopic cracks.
Key contributions
The bridging scale method is enhanced using the phantom node method so that cracks can be modeled at the coarse scale. To ensure self-consistency in the bulk, a virtual atom cluster is devised providing the response of the intact material at the coarse scale. A molecular statics model is employed in the fine scale where crack propagation is modeled by naturally breaking the bonds. The fine scale and coarse scale models are coupled by enforcing the displacement boundary conditions on the ghost atoms. An energy criterion is used to detect the crack tip location. Adaptive refinement and coarsening schemes are developed and implemented during the crack propagation. The results were observed to be in excellent agreement with the pure atomistic simulations. The developed multiscale method is one of the first adaptive multiscale method for fracture.
A robust and simple three dimensional coarse graining technique to convert a given atomistic region into an equivalent coarse region, in the context of multiscale fracture has been developed. The developed method is the first of its kind. The developed coarse graining technique can be applied to identify and upscale the defects like: cracks, dislocations and shear bands. The current method has been applied to estimate the equivalent coarse scale models of several complex fracture patterns arrived from the pure atomistic simulations. The upscaled fracture pattern agree well with the actual fracture pattern. The error in the potential energy of the pure atomistic and the coarse grained model was observed to be acceptable.
A first novel meshless adaptive multiscale method for fracture has been developed. The phantom node method is replaced by a meshless differential reproducing kernel particle method. The differential reproducing kernel particle method is comparatively more expensive but allows for a more "natural" coupling between the two scales due to the meshless interpolation functions. The higher order continuity is also beneficial. The centro symmetry parameter is used to detect the crack tip location. The developed multiscale method is employed to study the complex crack propagation. Results based on the meshless adaptive multiscale method were observed to be in excellent agreement with the pure atomistic simulations.
The developed multiscale methods are applied to study the fracture in practical materials like Graphene and Graphene on Silicon surface. The bond stretching and the bond reorientation were observed to be the net mechanisms of the crack growth in Graphene. The influence of time step on the crack propagation was studied using two different time steps. Pure atomistic simulations of fracture in Graphene on Silicon surface are presented. Details of the three dimensional multiscale method to study the fracture in Graphene on Silicon surface are discussed.
The main objective of this thesis is to investigate the characteristics of rice husk ash RHA) and then its behaviour in self-compacting high performance concrete (SCHPC) with respects to rheological properties, hydration and microstructure development and alkali silica reaction, in comparison with silica fume (SF). The main results show that the RHA is a macro-mesoporous amorphous siliceous material with a very high silica content comparable with SF. The pore size distribution is the most important parameter of RHA besides amorphous silica content. This parameter affects pore volume, specific surface area, and thus the water demand and the pozzolanic reactivity of RHA and its behaviour in SCHPC. The incorporation of RHA decreases filling and passing abilities, but significantly increases plastic viscosity and segregation resistance of SCHPC. Therefore, RHA can be used as a viscosity modifying admixture for SCHPC. The incorporation of RHA increases the superplasticizer adsorption, the superplasticizer saturation dosage, yield stress and plastic viscosity of mortar. Fresh mortar formulated from SCHPC is a shear-thickening material. The incorporation of RHA/SF ecreases the shearthickening degree. The incorporation of RHA/SF increases the degree of cement hydration. SF appears more effective at 3 days possibly due to the better nucleation site effect, whereas RHA dominates at the later ages possibly due to the internal water curing effect. The incorporation of RHA/SF increases the degree of C3S hydration, particularly the C3S hydration rate from 3 to 14 days. The pozzolanic reaction takes place outside and inside RHA particles.
The internal pozzolanic eaction products consolidate the pores inside RHA particles rather than contribute to the pore refinement in the cement matrix. In the presence of the high alkali concentration, RHA particles act as microreactive aggregates and react with alkali hydroxide to generate the expansive alkali silica reaction products. Increasing the particle size and temperature increases the alkali silica reactivity of RHA. The mechanism for the successive pozzolanic and alkali silica reactions of RHA is theorized. Additionally, a new simple
mix design method is proposed for SCHPC containing various supplementary cementitious materials, i.e. RHA, SF, fly ash and limestone powder.
Das Hauptziel der Arbeit war es zu klären, ob alkalihaltige Enteisungsmittel eine Alkali-Kieselsäure-Reaktion (AKR) auslösen und/oder beschleunigen können und was die dabei ggf. zugrunde liegenden Mechanismen sind. Die Untersuchungen dazu ergaben, dass die auf Verkehrsflächen eingesetzten alkalihaltigen Enteisungsmittel auf Basis von Natriumchlorid (Fahrbahndecken) bzw. auf Basis der Alkaliacetate und -formiate (Flugbetriebsflächen) den Ablauf einer AKR in Betonen mit alkalireaktiven Gesteinskörnungen auslösen und mitunter stark beschleunigen können. Dabei nimmt die AKR-fördernde Wirkung der Enteisungsmittel in der Reihenfolge Natriumchlorid - Alkaliacetate - Alkaliformiate erheblich zu.
Es zeigte sich, dass im Fall der Alkaliacetate und -formiate nicht allein die Zufuhr von Alkalien von Bedeutung ist, sondern dass es außerdem zu einer Freisetzung von OH-Ionen aus dem Portlandit und folglich zu einem Anstieg des pH-Wertes in der Porenlösung kommt. Dadurch wird der Angriff auf alkalireaktives SiO2 in Gesteinskörnungen verstärkt und der Ablauf einer AKR beschleunigt. Unter äußerer NaCl-Zufuhr kommt es hingegen nicht zu einem Anstieg des pH-Wertes, was der Grund für die weniger stark AKR-fördernde Wirkung von NaCl ist. Von Bedeutung sind hier die zugeführten Na-Ionen und offenbar ein sich andeutender, direkter Einfluss von NaCl auf das SiO2-Löseverhalten. Sind pH-Wert und Na-Konzentration in der Porenlösung ausreichend hoch, wird sich thermodynamisch bedingt AKR-Gel bilden. Die Bildung von FRIEDEL’schem Salz ist dabei nur eine Begleiterscheinung, aber keine Voraussetzung für den Ablauf einer AKR unter äußerer NaCl-Zufuhr.
Es zeigte sich weiter, dass sich mit der FIB-Klimawechsellagerung als Performance-Prüfung das AKR-Schädigungspotential von Betonen für Fahrbahndecken und Flugbetriebsflächen zuverlässig beurteilen lässt. Die Vorteile der FIB-Klimawechsellagerung liegen in der Prüfung kompletter, projektspezifischer Betonzusammensetzungen unter Beachtung aller praxisrelevanten klimatischen Einwirkungen und vor allem in der Berücksichtigung einer äußeren Alkalizufuhr. Innerhalb von 36 Wochen kann das AKR-Schädigungspotential einer Betonzusammensetzung für eine Nutzungsdauer von 20-30 Jahren in der Praxis sicher beurteilt werden.
Für anwendungsbezogene Lösungsansätze im Bereich der Siedlungswasserwirtschaft im urbanen Raum ist es wichtig, die Inhalte komplexer ineinander greifender Systeme zu begreifen. Ein Simulationsspiel kann hilfreich sein, um den Nutzer mit neuen Technologien und Möglichkeiten der Kombination vertraut zu machen. Aufgrund hoher Anforderungen an Komplexität und Detailliertheit der Modelle ist die Entwicklung eines solchen Spiels teuer und aufwändig. Diese Arbeit untersucht, inwieweit sich das kommerziell zu Unterhaltungszwecken entwickelte Spiel SimCity 5 (Version 2013) nutzen lässt bzw. wie es konfiguriert werden muss. Im Speziellen wird dies am Beispiel des naturnahen Regenwassermanagements im urbanen Raum erläutert.
Die Analyse von SimCity 5 zeigt, dass sich das Spiel durchaus als Werkzeug zur Entscheidungsunterstützung eignet. Die Teilsysteme der Siedlungswasserwirtschaft sind jedoch zu stark vereinfacht, sodass Verbesserungsbedarf besteht.
Um Szenarien des naturnahen Regenwassermanagements in das Spiel zu integrieren, wurde im Rahmen der Arbeit das Modell SimRegen entwickelt. Da derzeit keine Schnittstelle zur agentenbasierten Simulationsengine GlassBox freigegeben ist, wurden Teilaspekte des Modells mit Hilfe des agentenbasierten Simulationswerkzeugs NetLogo (Version 5.0.4) implementiert.
A more careful consideration of food waste is needed for planning the urban environment. The research signals links between the organization of individuals, the built environment and food waste management through a study conducted in Mexico. It recognizes the different scales within which solid waste management operates, explores food waste production at household levels, and investigates the urban circumstances that influence its management. This is based on the idea that sustainable food waste management in cities requires a constellation of processes through which a ‘people centered’ approach offers added value to technical and biological facts. This distinction addresses how urban systems react to waste and what behavioral and structural factors affect current sanitary practices in Mexico. Food waste is a resource-demanding item, which makes for a considerable amount of refuse being disposed of in landfills in developing cities. The existing data shortage on waste generation at household levels debilitates implementation strategies and there is a need for more contextual knowledge associated with waste. The evidence-based study includes an explorative phase on the culture of waste management and a more in-depth examination of domestic waste composition. Mixed data collection tools including a household based survey, a food waste diary and weighing recording system were developed to enquire into the daily practices of waste disposal in households. The contrasting urban environment of Mexico City Metropolitan Area holds indistinctive boundaries between the core and the periphery, which hinder the implementation of integrated environmental plans. External determinants are different modes of urban transformation and internal determinants are building features and their consolidation processes. At the household level, less and more affluents groups responded differently to external environmental stressors. A targeted planning proposition is required for each group. Local alternative waste management is more likely to be implement in less affluent contexts. Further, more effective demand-driven service delivery implies better integration between the formal and informal sectors. The results show that efforts toward securing long-term changes in Mexico and other cities with similar circumstances require creating synergy between education, building consolidation, local infrastructure and social engagement.
Das Bauwesen hat sich in den letzten Jahren durch die Globalisierung des Marktes verbunden mit einer verstärkten Nutzung moderner Technologien stark gewandelt. Die Planung und die Durchführung von Bauvorhaben werden zunehmend komplexer und sind mit erhöhten Risiken verbunden. Geld- und Zeitressourcen werden bei einem immer härter werdenden Konkurrenzkampf knapper.
Das Projektmanagement stellt Lösungsansätze bereit, um Bauvorhaben auch unter erschwerten Bedingungen und erhöhten Risiken erfolgreich zum Abschluss zu bringen. Dabei hat ein systematisches Risikomanagement beginnend bei der Projektentwicklung bis zum Projektabschluss eine für den Projekterfolg entscheidende Bedeutung.
Ziel der Arbeit ist es, eine quantitative Risikoerfassung für Projektmanager als professionelle Bauherrenvertretung und die Simulation der Risikoauswirkungen auf den Verlauf eines Projektes während der Planungs- und Bauphase zu ermöglichen. Mit Hilfe eines abstrakten Modells soll eine differenzierte, praxisnahe Simulation durchführbar sein, die die verschiedenen Arten der Leistungs- und Kostenentstehung widerspiegelt. Parallel dazu soll die Beschreibung von Risiken so abstrahiert werden, dass beliebige Risiken quantitativ erfassbar und anschließend ihre Auswirkungen inklusive mögliche Gegenmaßnahmen in das Modell integrierbar sind.
Anhand zweier Beispiele werden die unterschiedlichen Einsatzmöglichkeiten der quantitativen Erfassung von Projektrisiken und der anschließenden Simulation ihrer Auswirkungen aufgezeigt. Bei dem ersten Beispiel, einem realen, bereits abgeschlossenen Schieneninfrastrukturprojekt, wird die Wirksamkeit einer vorbeugenden Maßnahme gegen ein Projektrisiko untersucht. Im zweiten Beispiel wird ein Planspielansatz zur praxisnahen Aus- und Weiterbildung von Projektmanagern entwickelt. Inhalt des Planspiels ist die Planung und Errichtung eines privatfinanzierten, öffentlichen Repräsentationsbaus mit teilweiser Fremdnutzung.
Nutzerorientierte Bausanierung bedeutet eine gegenüber dem konventionellen Vorgehen deutlich verstärkte Ausrichtung des Planungs- und Sanierungsprozesses auf die Anforderungen und Bedürfnisse des zukünftigen Nutzers eines Gebäudes. Dies hat einerseits ein hochwertigeres Produkt zum Ergebnis, erfordert andererseits aber auch den Einsatz neuer Methoden und Baustoffe sowie ein vernetztes Zusammenarbeiten aller am Bauprozess Beteiligten. Der Fokus der Publikation liegt dabei auf den Bereichen, die eine hohe Relevanz für die nutzerorientierte Bausanierung aufweisen. Dabei handelt es sich insbesondere um: Computergestütztes Bauaufmaß und digitale Bauwerksmodellierung (BIM), bauphysikalische Methoden zur Optimierung von Energieeffizienz und Behaglichkeit bei der Sanierung von Bestandsgebäuden, zerstörungsfreie Untersuchungsmethoden im Rahmen einer substanzschonenden Bauzustandsanalyse und Entwicklung von Ergänzungsbaustoffen.
Das Projekt nuBau ist eine Kooperation zwischen den Fakultäten Bauingenieurwesen und Architektur der Bauhaus-Universität Weimar. Die beteiligten Professuren sind: Bauphysik, Informatik in der Architektur, Polymere Werkstoffe und Werkstoffe des Bauens.
In dieser Arbeit werden die Ergebnisse von experimentellen Untersuchungen an unbewehrten und bewehrten modifizierten Betonen unter monoton steigender Belastung bis zum Bruch, einfacher Kurzzeitbelastung im Grenzbereich der Tragfähigkeit und mehrfach wiederholter Belastung mit kontinuierlicher Be- und Entlastungsgeschwindigkeit vorgestellt und ausgewertet. Für die Modifizierung der Betone wurden zwei grundsätzliche Vorgehens¬weisen angewendet: die Variation der Gesteinskörnung und die Modifizierung der Bindemittelphase mit thermoplastischen Polymeren. Die Auswirkungen der Modifikationen auf die Festigkeitseigenschaften und das Formänderungsverhalten des Betons bei Kurzzeitbelastung waren dabei von besonderem Interesse.
Die beobachteten Veränderungen der Festbetoneigenschaften sowie der nichtlineare Zu-sammenhang zwischen den elastischen und nichtelastischen Verformungsanteilen signali-sieren, dass derartige Modifizierungen das Verformungs- und Bruchverhalten von Beton sig-nifikant beeinflussen und somit beim Nachweis der Tragfähigkeit und Gebrauchstauglichkeit berücksichtigt werden müssen. Neben der Evaluierung des beanspruchungsabhängigen Formänderungsverhaltens werden die etablierten Ansätze zur Beschreibung der Gefügezu-standsbereiche bei Druckbelastung weiter entwickelt, so dass die Übergänge zwischen den Bereichen exakt ermittelt und die Ausprägung der Bereiche quantifiziert werden können. Damit ist ein genauerer Vergleich der durch die Modifizierungen hervorgerufenen Verände-rungen möglich.
The present thesis studies the effects of rice husk ash (RHA) as a pozzolanic admixture and the combination of RHA and ground granulated blast-furnace slag (GGBS) on properties of ultra-high performance concrete (UHPC). The ultimate purpose of this study is to replace completely silica fume (SF) and partially Portland cement by RHA and GGBS to achieve sustainable UHPC. To reach this aim, characteristics of RHA in dependence of grinding period, especially its pozzolanic reactivity in saturated Ca(OH)2 solution and in a cementitious system at a very low water binder ration (w/b) were assessed. The influences of RHA on compatibility between superplasticizer and binder, workability, compressive strength, shrinkage, internal relative humidity, microstructure and durability of UHPC were also evaluated. Furthermore, synergic effects of RHA and GGBS on the properties of UHPC were investigated to produce more sustainable UHPC. Finally, various heat treatments were applied to study the properties of UHPC under these conditions. All the characteristics of these UHPCs containing RHA were compared to those of mixtures containing SF.
Die Arbeit zeigt die wesentlichen Gründe auf, warum betahalbhydratreiche Niederbranntgipsbinder (industriell als Stuckgips bezeichnet) oft sehr unterschiedliche Eigenschaften aufweisen.
Der Anteil an Halbhydrat, welches aus dem stark hygroskopischen Anhydrit III (A III) durch die Reaktion mit Luftfeuchtigkeit entsteht, stellt einen erheblichen, bislang vollkommen unbeachteten Einfluss dar. Dieses Halbhydrat aus A III zeigt andere Oberflächeneigenschaften und ein Reaktionsverhalten, das von frisch gebranntem Betahalbhydrat abweicht.
Es zeigt sich, wie weitreichend der Einfluss physiko-chemischer Oberflächenprozesse wie Adsorption und Kondensation ist. Hierdurch wird nicht nur die Oberflächenenergie der Partikel abgebaut, sondern auch eine Verminderung der Hydratationswärme verursacht. Somit wirken sich physikalische Vorgänge thermodynamisch aus. Einwirkende und resultierende Parameter einer Alterung wirken wie folgt äußerst komplex zusammen:
Die dominierenden Bindemitteleigenschaften Abbindeverhalten und Wasseranspruch verändern sich durch eine Alterung sowohl aufgrund der Phasenumwandlungen als auch infolge der Veränderungen der Kristallite. Ebenso einflussreich ist die Veränderung der Oberflächencharakteristik. Die Auswirkung der Alterung auf die Reaktivität geht deutlich über den Abbau von Anhydrit III, die Dezimierung von abbindefähigem Material und die beschleunigende Wirkung von Alterungsdihydrat hinaus. Das Wachstum der Kristallite von Halbhydrat und die Verringerung der inneren Energie sowie die energetisch günstige spontane Beladung der Kristallgitterkanäle kleinster Anhydrit III-Kristallite mit dampfförmigem Wasser müssen als maßgebliche Ursachen für die Abnahme der Reaktivität infolge der Alterung herausgestellt werden. Die Abnahme der spezifischen Oberfläche und der Oberflächenenergie wirken sich außerdem auf den Lösungs- und den Hydratationsprozess aus. Der auf der Oberfläche von Anhydrit III kristallisierte Anhydrit II wirkt sich auch nach der Umwandlung von A III in Halbhydrat lösungshemmend aus. Infolge der alterungsbedingten Dihydratbildung, die bei anhaltender Feuchteeinwirkung einsetzt, wird diese Wirkung aufgehoben bzw. vermindert. Obgleich Dihydrat für seinen Beschleunigungseffekt bekannt ist, entfaltet Alterungsdihydrat infolge seiner besonderen Ausbildung innerhalb der wenige Moleküllagen umfassenden Kondenswasserschicht nur eine geringe keimbildende Wirkung.
Eine wesentliche Erkenntnis betrifft den Bindungscharakter des Überstöchiometrischen Wassers. Diesbezüglich ist eine rein physikalische Bindung nachweisbar. Das in der Arbeit als stärker adsorptiv gebunden bezeichnete Wasser kommt neben der Freien Feuchte ausschließlich bei Anwesenheit von Halbhydrat vor. Dieser Zusammenhang wird erstmalig hergestellt und mit Hilfe der kristallchemisch bedingten höheren Oberflächenenergie von Halbhydrat erklärt.
The planning process in civil engineering is highly complex and not manageable in its entirety.
The state of the art decomposes complex tasks into smaller, manageable sub-tasks. Due to the close interrelatedness of the sub-tasks, it is essential to couple them. However, from a software engineering point of view, this is quite challenging to do because of the numerous incompatible software applications on the market. This study is concerned with two main objectives: The first is the generic formulation of coupling strategies in order to support engineers in the implementation and selection of adequate coupling strategies. This has been achieved by the use of a coupling pattern language combined with a four-layered, metamodel architecture, whose applicability has been performed on a real coupling scenario. The second one is the quality assessment of coupled software. This has been developed based on the evaluated schema mapping. This approach has been described using mathematical expressions derived from the set theory and graph theory by taking the various mapping patterns into account. Moreover, the coupling quality has been evaluated within the formalization process by considering the uncertainties that arise during mapping and has resulted in global quality values, which can be used by the user to assess the exchange. Finally, the applicability of the proposed approach has been shown using an engineering case study.