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Keywords
- Beton (3)
- Finite-Elemente-Methode (3)
- Strukturmechanik (3)
- Bruch (2)
- Bruchverhalten (2)
- Building Information Modeling (2)
- Rice husk ash (2)
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- Abbiegespur (1)
Der vorliegende Text beschreibt die intensive Erforschung von Wabenplatten aus Papierwerkstoffen, die durch Faltprozesse neue räumliche Zustände einnehmen können und somit ihr ursprüngliches Anwendungsspektrum erweitern. Die gezeigten Lösungsansätze bewegen sich dabei im Spannungsfeld von Architektur und Ingenieurbau, denn die gefalteten Bauteile sind nicht nur äußerst tragfähig sondern besitzen auch eine ästhetische Form. Die entwickelten Verfahren und Konstruktionen werden auf einem hohen architektonischen Niveau präsentiert und mit einfachen ingenieurtechnischen Methoden verifiziert. Zur Lösungsfindung werden geometrische Verfahren ebenso angewendet wie konstruktive Faustformeln und Recherchen aus Architektur und Forschung.
Der Fokus der Arbeit liegt auf der Untersuchung von Faltungen in Wabenplatten. Während der Auseinandersetzung mit der Thematik erschienen jedoch viele weitere Aspekte als sehr interessant und bearbeitungswürdig. Als theoretische Grundlage dieser Arbeit werden deshalb die geschichtliche Entwicklung und die gesellschaftliche Bedeutung von Papier und Papierwerkstoffen analysiert und deren Produktionsprozesse beleuchtet. Diese Vorgehensweise ermöglicht eine Einordnung des Potentials und der Bedeutung des Werkstoffs Papier. Der Kontext der Arbeit wird dadurch gestärkt und führt zu interessanten zukünftigen Forschungsansätzen.
Intensive Untersuchungen widmen sich der geometrischen Bestimmung von Faltungen in Wabenplatten aus Papierwerkstoffen sowie deren Manifestation als konstruktive Bauteile. Auch die statischen Eigenschaften der Elemente und ihr Konstruktionspotential werden erforscht und aufbereitet. Wichtige Impulse aus Forschung und Technik fließen in die Recherche der Arbeit ein und erlauben die Verortung der Ergebnisse im architektonischen Kontext. Versuchsreihen und Materialstudien an Prototypen belegen die Ergebnisse virtueller und rechnerischer Studien. Konzepte zur parametrischen Berechnung und Visualisierung der Forschungsergebnisse werden präsentiert und zeigen zukunftsfähige Planungshilfen für die Industrie auf. Etliche Testreihen zu unterschiedlichsten Abdichtungskonzepten führen zur Realisierung eines sehenswerten Experimentalbaus. Er erlaubt die dauerhafte Untersuchung der entwickelten Bauteile unter realistischen Bedingungen und bestätigt deren Leistungsfähigkeit. Dadurch wird nicht nur ein dauerhaftes Monitoring und eine Evaluierung der Leistungsdaten möglich sondern es wird auch der sichtbare Beweis erbracht, dass mit Papierwerkstoffen effiziente und hochwertige Architekturen zu realisieren sind, welche das enorme gestalterische Potential von gefalteten Wabenplatten ausnutzen.
Im Rahmen der Dissertation ist ein analytisches Berechnungsverfahren zur Ermittlung der Kapazität in lichtsignalgeregelten Zufahrten mit zusätzlichen Aufstellstreifen bei gleichzeitiger Freigabezeit entwickelt worden, dass sich durch folgende Eigenschaften auszeichnet:
a) einfaches Berechnungsverfahren – Ansatz eines einfachen linearen Berechnungsansatzes, der auf den Grundzusammenhängen des Verkehrsablaufs in lichtsignalgeregelten Zufahrten aufbaut,
b) breites Anwendungsgebiet – Berechnungsverfahren kann in Zufahrten mit bis zu zwei zusätzlichen Aufstellstreifen angewendet werden,
c) hohe Genauigkeit – Im Rahmen eines direkten Vergleichs konnte u. a.
gezeigt werden, dass mit dem hergeleiteten analytischen Berechnungsverfahren genauere Kapazitätswerte ermittelt werden können, als mit dem Berechnungsverfahren nach HBS 2015.
This dissertation is devoted to the theoretical development and experimental laboratory verification of a new damage localization method: The state projection estimation error (SP2E). This method is based on the subspace identification of mechanical structures, Krein space based H-infinity estimation and oblique projections. To explain method SP2E, several theories are discussed and laboratory experiments have been conducted and analysed.
A fundamental approach of structural dynamics is outlined first by explaining mechanical systems based on first principles. Following that, a fundamentally different approach, subspace identification, is comprehensively explained. While both theories, first principle and subspace identification based mechanical systems, may be seen as widespread methods, barely known and new techniques follow up. Therefore, the indefinite quadratic estimation theory is explained. Based on a Popov function approach, this leads to the Krein space based H-infinity theory. Subsequently, a new method for damage identification, namely SP2E, is proposed. Here, the introduction of a difference process, the analysis by its average process power and the application of oblique projections is discussed in depth.
Finally, the new method is verified in laboratory experiments. Therefore, the identification of a laboratory structure at Leipzig University of Applied Sciences is elaborated. Then structural alterations are experimentally applied, which were localized by SP2E afterwards. In the end four experimental sensitivity studies are shown and discussed. For each measurement series the structural alteration was increased, which was successfully tracked by SP2E. The experimental results are plausible and in accordance with the developed theories. By repeating these experiments, the applicability of SP2E for damage localization is experimentally proven.
Polymeric nanocomposites (PNCs) are considered for numerous nanotechnology such as: nano-biotechnology, nano-systems, nanoelectronics, and nano-structured materials. Commonly , they are formed by polymer (epoxy) matrix reinforced with a nanosized filler. The addition of rigid nanofillers to the epoxy matrix has offered great improvements in the fracture toughness without sacrificing other important thermo-mechanical properties. The physics of the fracture in PNCs is rather complicated and is influenced by different parameters. The presence of uncertainty in the predicted output is expected as a result of stochastic variance in the factors affecting the fracture mechanism. Consequently, evaluating the improved fracture toughness in PNCs is a challenging problem.
Artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) have been employed to predict the fracture energy of polymer/particle nanocomposites. The ANN and ANFIS models were constructed, trained, and tested based on a collection of 115 experimental datasets gathered from the literature. The performance evaluation indices of the developed ANN and ANFIS showed relatively small error, with high coefficients of determination (R2), and low root mean square error and mean absolute percentage error.
In the framework for uncertainty quantification of PNCs, a sensitivity analysis (SA) has been conducted to examine the influence of uncertain input parameters on the fracture toughness of polymer/clay nanocomposites (PNCs). The phase-field approach is employed to predict the macroscopic properties of the composite considering six uncertain input parameters. The efficiency, robustness, and repeatability are compared and evaluated comprehensively for five different SA methods.
The Bayesian method is applied to develop a methodology in order to evaluate the performance of different analytical models used in predicting the fracture toughness of polymeric particles nanocomposites. The developed method have considered the model and parameters uncertainties based on different reference data (experimental measurements) gained from the literature. Three analytical models differing in theory and assumptions were examined. The coefficients of variation of the model predictions to the measurements are calculated using the approximated optimal parameter sets. Then, the model selection probability is obtained with respect to the different reference data.
Stochastic finite element modeling is implemented to predict the fracture toughness of polymer/particle nanocomposites. For this purpose, 2D finite element model containing an epoxy matrix and rigid nanoparticles surrounded by an interphase zone is generated. The crack propagation is simulated by the cohesive segments method and phantom nodes. Considering the uncertainties in the input parameters, a polynomial chaos expansion (PCE) surrogate model is construed followed by a sensitivity analysis.
Entwicklung und Untersuchung von alternativen Dicalciumsilicat-Bindern auf der Basis von alpha-C2SH
(2018)
Um den Klimawandel zu begrenzen, müssen die CO2-Emissionen drastisch gesenkt werden [100]. Bis 2050 soll bei der Herstellung von Zement eine Einsparung um 51–60 % auf 0,425–0,350 tCO2/tZement erfolgen [7]. Um dieses Ziel zu erreichen, sind alternative Bindemittelkonzepte notwendig [70].
Diese Arbeit widmet sich alternativen, hochreaktiven Dicalciumsilicat-Bindemitteln, die durch die thermische Aktivierung von α-Dicalcium-Silicat-Hydrat (α-C2SH) erzeugt werden. Das α-C2SH ist eine kristalline C S H-Phase, die im hydrothermalen Prozess, beispielsweise aus Branntkalk und Quarz, herstellbar ist. Die thermische Aktivierung kann bei sehr niedrigen Temperaturen erfolgen (>420 °C) und führt zu einem Multiphasen-C2S-Binder. Als besonders reaktive Bestandteile können x-C2S und röntgenamorphe Anteile enthalten sein. Weiterhin können β C2S, γ C2S und Dellait (Ca6(SiO4)(Si2O7)(OH)2) entstehen.
Im Rahmen der Arbeit wird zunächst der Stand des Wissens zur Polymorphie und Hydratation von C2S zusammengefasst. Es werden bekannte C2S-basierte Bindemittelkonzepte vorgestellt und bewertet.
Die Herstellung von C2S-Bindern wird experimentell im Labormaßstab untersucht. Dabei kommen unterschiedliche Autoklaven und ein Muffelofen zum Einsatz. Die Herstellungsparameter werden hinsichtlich Phasenbestand und Reaktivität optimiert. Die Bindemittel werden durch quantitative Röntgen-Phasenanalyse (QXRD), Rasterelektronenmikroskopie (REM), N2-Adsorption (BET-Methode), Heliumpycnometer, Thermoanalyse (TGA/DSC) und 29Si-MAS- sowie 29Si-1H-CP/MAS-NMR-Spektroskopie charakterisiert. Das Hydratationsverhalten der Bindemittel wird vorrangig mithilfe von Wärmeflusskalorimetrie untersucht. Weiterhin werden in situ und ex situ XRD-, TGA/DSC- und REM-Untersuchungen durchgeführt. Anhand von zwei Bindemitteln wird die Fähigkeit zur Erzielung hoher Festigkeiten demonstriert. Abschließend erfolgt eine Abschätzung zu Energiebedarf und CO2-Emissionen für die Herstellung der untersuchten C2S-Binder.
Die Ergebnisse zeigen, dass für eine hohe Reaktivität der Binder eine niedrige Brenntemperatur und ein geringer Wasserdampfpartialdruck während der thermischen Aktivierung entscheidend sind. Weiterhin muss das hydrothermal hergestellte α-C2SH eine möglichst hohe spezifische Oberfläche aufweisen. Diese Parameter beeinflussen den Phasenbestand und die phasenspezifische Reaktivität. Brenntemperaturen von ca. 420–500 °C führen zu hochreaktiven Bindern, die im Rahmen dieser Arbeit als Niedertemperatur-C2S-Binder bezeichnet werden. Temperaturen von ca. 600–800 °C führen zu Bindern mit geringerer Reaktivität, die im Rahmen dieser Arbeit als Hochtemperatur-C2S bezeichnet werden. Höhere Brenntemperaturen (1000 °C) führen zu Bindemitteln, die innerhalb der ersten drei Tage keine hydraulische Aktivität zeigen.
Die untersuchten Bindemittel können sehr hohe Reaktionsgeschwindigkeiten erreichen. Die Wärmeflusskalorimetrie deutet bei einigen Bindemitteln einen nahezu vollständigen Umsatz innerhalb von drei Tagen an. Durch XRD wurde für einen Binder der vollständige Verbrauch von x-C2S innerhalb von drei Tagen nachgewiesen. Für einen mittels in-situ-XRD und Wärmeflusskalorimetrie untersuchten Binder wurde gezeigt, dass die Phasen vorrangig in der Reihenfolge röntgenamorph > x-C2S > β-C2S > γ-C2S hydratisieren. Hydratationsprodukte sind nadelige C S H-Phasen und Portlandit.
Die Herstellung durch thermische Aktivierung von α-C2SH führt zu tafeligen Bindemittelpartikeln, die teilweise Zwickelräume und Poren zwischen den einzelnen Partikeln einschließen. Um eine verarbeitbare Bindemittelpaste zu erzeugen, sind daher sehr hohe Wasser/Bindemittel-Werte (z. B. 1,4) erforderlich. Der Wasseranspruch kann durch Mahlung etwa auf das Niveau von Zement gesenkt werden.
Die Druckfestigkeitsentwicklung wurde an zwei Niedertemperatur-C2S-Kompositbindern mit 40 % Kalksteinmehl bzw. 40 % Hüttensand untersucht. Aufgrund von theoretischen Betrachtungen zur Porosität in Abhängigkeit des w/b-Wertes wurde dieser auf 0,3 festgelegt. Durch Zugabe von PCE-Fließmittel wurde ein verarbeitbarer Mörtel erhalten. Die Festigkeitsentwicklung ist sehr schnell. Der Kalksteinmehl-Binder erreichte nach zwei Tagen 46 N/mm². Bis Tag 28 trat keine weitere Festigkeitssteigerung ein. Der Hüttensand-Binder erreichte nach zwei Tagen 62 N/mm². Durch die Hüttensandreaktion stieg die Festigkeit bis auf 85 N/mm² nach 28 Tagen an.
Für den Herstellungsprozess von Niedertemperatur-C2S-Binder wurden Energieverbräuche und CO2-Emissionen abgeschätzt. Es deutet sich an, dass, bezogen auf die Bindemittelmenge, keine wesentlichen Einsparungen im Vergleich zur Portlandzementherstellung möglich sind. Für die tatsächlichen Emissionen muss jedoch zusätzlich die Leistungsfähigkeit der Bindemittel berücksichtigt werden. Die Leistungsfähigkeit kann als erforderliche Bindemittelmenge betrachtet werden, die je m³ Beton eingesetzt werden muss, um bestimmte Festigkeits-, Dauerhaftigkeits- und Verarbeitungseigenschaften zu erreichen.
Aus verschiedenen Veröffentlichungen [94, 201, 206] wurde die These abgeleitet, dass die Leistungsfähigkeit eines Bindemittels maßgeblich von der C-S-H-Menge bestimmt wird, die während der Hydratation gebildet wird. Daher wird für NT-C2S-Binder eine außergewöhnlich hohe Leistungsfähigkeit erwartet.
Auf Basis der Leistungsfähigkeitsthese verringern sich die abgeschätzten CO2-Emissionen von NT-C2S-Bindern, sodass gegenüber Portlandzement ein mögliches Einsparpotenzial von 42 % ermittelt wurde.
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.
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.