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The fracture of microcapsules is an important issue to release the healing agent for healing the cracks in encapsulation-based self-healing concrete. The capsular clustering generated from the concrete mixing process is considered one of the critical factors in the fracture mechanism. Since there is a lack of studies in the literature regarding this issue, the design of self-healing concrete cannot be made without an appropriate modelling strategy. In this paper, the effects of microcapsule size and clustering on the fractured microcapsules are studied computationally. A simple 2D computational modelling approach is developed based on the eXtended Finite Element Method (XFEM) and cohesive surface technique. The proposed model shows that the microcapsule size and clustering have significant roles in governing the load-carrying capacity and the crack propagation pattern and determines whether the microcapsule will be fractured or debonded from the concrete matrix. The higher the microcapsule circumferential contact length, the higher the load-carrying capacity. When it is lower than 25% of the microcapsule circumference, it will result in a greater possibility for the debonding of the microcapsule from the concrete. The greater the core/shell ratio (smaller shell thickness), the greater the likelihood of microcapsules being fractured.
Encapsulation-based self-healing concrete has received a lot of attention nowadays in civil engineering field. These capsules are embedded in the cementitious matrix during concrete mixing. When the cracks appear, the embedded capsules which are placed along the path of incoming crack are fractured and then release of healing agents in the vicinity of damage. The materials of capsules need to be designed in a way that they should be able to break with small deformation, so the internal fluid can be released to seal the crack. This study focuses on computational modeling of fracture in encapsulation-based selfhealing concrete. The numerical model of 2D and 3D with randomly packed aggreates and capsules have been developed to analyze fracture mechanism that plays a significant role in the fracture probability of capsules and consequently the self-healing process. The capsules are assumed to be made of Poly Methyl Methacrylate (PMMA) and the potential cracks are represented by pre-inserted cohesive elements with tension and shear softening laws along the element boundaries of the mortar matrix, aggregates, capsules, and at the interfaces between these phases. The effects of volume fraction, core-wall thickness ratio, and mismatch fracture properties of capsules on the load carrying capacity of self-healing concrete and fracture probability of the capsules are investigated. The output of this study will become valuable tool to assist not only the experimentalists but also the manufacturers in designing an appropriate capsule material for self-healing concrete.
Encapsulation-based self-healing concrete (SHC) is the most promising technique for providing a self-healing mechanism to concrete. This is due to its capacity to heal fractures effectively without human interventions, extending the operational life and lowering maintenance costs. The healing mechanism is created by embedding capsules containing the healing agent inside the concrete. The healing agent will be released once the capsules are fractured and the healing occurs in the vicinity of the damaged part. The healing efficiency of the SHC is still not clear and depends on several factors; in the case of microcapsules SHC the fracture of microcapsules is the most important aspect to release the healing agents and hence heal the cracks. This study contributes to verifying the healing efficiency of SHC and the fracture mechanism of the microcapsules. Extended finite element method (XFEM) is a flexible, and powerful discrete crack method that allows crack propagation without the requirement for re-meshing and has been shown high accuracy for modeling fracture in concrete. In this thesis, a computational fracture modeling approach of Encapsulation-based SHC is proposed based on the XFEM and cohesive surface technique (CS) to study the healing efficiency and the potential of fracture and debonding of the microcapsules or the solidified healing agents from the concrete matrix as well. The concrete matrix and a microcapsule shell both are modeled by the XFEM and combined together by CS. The effects of the healed-crack length, the interfacial fracture properties, and microcapsule size on the load carrying capability and fracture pattern of the SHC have been studied. The obtained results are compared to those obtained from the zero thickness cohesive element approach to demonstrate the significant accuracy and the validity of the proposed simulation. The present fracture simulation is developed to study the influence of the capsular clustering on the fracture mechanism by varying the contact surface area of the CS between the microcapsule shell and the concrete matrix. The proposed fracture simulation is expanded to 3D simulations to validate the 2D computational simulations and to estimate the accuracy difference ratio between 2D and 3D simulations. In addition, a proposed design method is developed to design the size of the microcapsules consideration of a sufficient volume of healing agent to heal the expected crack width. This method is based on the configuration of the unit cell (UC), Representative Volume Element (RVE), Periodic Boundary Conditions (PBC), and associated them to the volume fraction (Vf) and the crack width as variables. The proposed microcapsule design is verified through computational fracture simulations.
This paper presents a novel numerical procedure for computing limit and shakedown loads of structures using a node-based smoothed FEM in combination with a primal–dual algorithm. An associated primal–dual form based on the von Mises yield criterion is adopted. The primal-dual algorithm together with a Newton-like iteration are then used to solve this associated primal–dual form to determine simultaneously both approximate upper and quasi-lower bounds of the plastic collapse limit and the shakedown limit. The present formulation uses only linear approximations and its implementation into finite element programs is quite simple. Several numerical examples are given to show the reliability, accuracy, and generality of the present formulation compared with other available methods.
When it comes to monitoring of huge structures, main issues are limited time, high costs and how to deal with the big amount of data. In order to reduce and manage them, respectively, methods from the field of optimal design of experiments are useful and supportive. Having optimal experimental designs at hand before conducting any measurements is leading to a highly informative measurement concept, where the sensor positions are optimized according to minimal errors in the structures’ models. For the reduction of computational time a combined approach using Fisher Information Matrix and mean-squared error in a two-step procedure is proposed under the consideration of different error types. The error descriptions contain random/aleatoric and systematic/epistemic portions. Applying this combined approach on a finite element model using artificial acceleration time measurement data with artificially added errors leads to the optimized sensor positions. These findings are compared to results from laboratory experiments on the modeled structure, which is a tower-like structure represented by a hollow pipe as the cantilever beam. Conclusively, the combined approach is leading to a sound experimental design that leads to a good estimate of the structure’s behavior and model parameters without the need of preliminary measurements for model updating.
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.
This paper presents several aspects of characterization of welding heat source parameters in Goldak’s double ellipsoidal model using Sysweld simulation of welding of two overlapping beads on a substrate steel plate. The overlap percentages ranged from 40% to 80% in increments of 10%. The new material properties of the fused metal were characterized using Weldware and their continuous cooling transformation curves. The convective and radiative heat transfer coefficients as well as the cooling time t8/5 were estimated using numerical formulations from relevant standards. The effects of the simulation geometry and mesh discretization were evaluated in terms of the factor F provided in Sysweld. Eventually, the parameters of Goldak’s double ellipsoidal heat source model were determined for the welding simulation of overlapping beads on the plate and the simulated bead geometry, extent of the molten pool and the HAZ were compared with the macrographs of cross-sections of the experimental weldments. The results showed excellent matching, thus verifying this methodology for determination of welding heat source parameters.
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.
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
Components of structural glazing have to meet different requirements and resist various impacts, depending on the field of application. Within an international research project of the EU innovation program Horizon 2020, special glass panes with a fluid circulating in capillaries are developed exploiting solar energy. Major influences to this glazing are UV irradiation and the fluidic contact, effecting the mechanical and optical durability of the bonding material within the glass setup. Regarding to visual requirements, acrylate adhesives and EVA films are analyzed as possible bonding materials by destructive and non-destructive testing methods. Two types of specimen are presented for obtaining the mechanical behavior and the surface appearances of the bonding material.
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.
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.
Der Ausbau von digitalen Hochgeschwindigkeitsnetzen ist gekennzeichnet durch neuartige Anforderungen an den Planungsprozess. Diese Anforderungen erfordern wiederum den Einsatz von neuartigen Paradigmen, die eine effiziente und zugleich genaue Planung von flächendeckenden Glasfasernetzen ermöglichen. Hierbei können wiederkehrende Planungsaufgaben durch eine gezielte computergestützte Automatisierung effizienter und genauer ausgeführt, als es mit bisherigen Planungskonzepten möglich ist. Dieses Arbeitspapier beschreibt die computergestützte Ausführung eines Planungsprozesses auf Basis von fünf grundlegenden, iterativen Planungsschritten und gibt Empfehlungen für eine effiziente und genaue Planung von Glasfasernetzen. Der hier vorgestellte Ansatz ermöglicht es Netzbetreibern und Investoren, den Ausbau beliebiger Siedlungs- und Gewerbegebiete auf der zuverlässigen Basis von belastbarem Faktenwissen wirtschaftlich zu priorisieren.
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.
Bei Analysen des Gebäudebestands im Quartierskontext werden zu Dokumentationszwecken viele Bilddaten erzeugt. Diese Daten sind im Nachhinein häufig keinen eindeutig genauen Standorten und Blickwinkeln auf das Bauwerk zuzuordnen. Insbesondere gilt dies für Ortsunkundige oder für Detailaufnahmen. Eine zusätzliche Herausforderung stellt die Aufnahme von Wärmebrücken- oder andersartigen Gebäudedetails durch Thermogramme dar. In der Praxis kommen hier oftmals analoge, fehleranfällige Lösungen zum Einsatz.
Durch die Nutzung von Georeferenzierung kann diese Lücke geschlossen und eine eindeutige Kommunikation und Auswertung gewährleistet werden. Im Gegensatz zu den üblichen Kameras sind Smartphones nach Stand der Technik ausreichend ausgestattet, um neben Daten zu Standort auch die Orientierungswinkel einer Bildaufnahme zu dokumentieren. Die georefenzierten Bilder können auf Grundlage der in den sogenannten Exif-Daten mitgeschriebenen Informationen händisch in ein bestehendes Quartiersmodell integriert werden.
Anhand eines universitären Musterquartiers wird die nutzerfreundliche Realisierung beispielhaft erprobt und auf ihre Potentiale zur Automatisierung in Python untersucht. Hierfür wurde ein bestehendes Quartiersmodell als geometrische Grundlage genutzt und um RGB-Bilder sowie Thermogramme erweitert. Das beschriebene Vorgehen wird im Rahmen der Anwendung auf seinen möglichen Einsatz im Rahmen einer energetischen Quartierserfassung sowie einer Bauschadensdokumentation untersucht.
Mit dem vorliegenden Beitrag wird dem Nutzenden ein Werkzeug bereitgestellt, das die hochwertige Dokumentation einer Bestandserfassung, auch im Quartierskontext, ermöglicht.
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.
The concept of isogeometric analysis, where functions that are used to describe geometry in CAD software are used to approximate the unknown fields in numerical simulations, has received great attention in recent years. The method has the potential to have profound impact on engineering design, since the task of meshing, which in some cases can add significant overhead, has been circumvented. Much of the research effort has been focused on finite element implementations of the isogeometric concept, but at present, little has been seen on the application to the Boundary Element Method. The current paper proposes an Isogeometric Boundary Element Method (BEM), which we term IGABEM, applied to two-dimensional elastostatic problems using Non-Uniform Rational B-Splines (NURBS). We find it is a natural fit with the isogeometric concept since both the NURBS approximation and BEM deal with quantities entirely on the boundary. The method is verified against analytical solutions where it is seen that superior accuracies are achieved over a conventional quadratic isoparametric BEM implementation.
In the context of finite element model updating using output-only vibration test data, natural frequencies and mode shapes are used as validation criteria. Consequently, the correct pairing of experimentally obtained and numerically derived natural frequencies and mode shapes is important. In many cases, only limited spatial information is available and noise is present in the measurements. Therefore, the automatic selection of the most likely numerical mode shape corresponding to a particular experimentally identified mode shape can be a difficult task. The most common criterion for indicating corresponding mode shapes is the modal assurance criterion. Unfortunately, this criterion fails in certain cases and is not reliable for automatic approaches. In this paper, the purely mathematical modal assurance criterion will be enhanced by additional physical information from the numerical model in terms of modal strain energies. A numerical example and a benchmark study with experimental data are presented to show the advantages of the proposed energy-based criterion in comparison to the traditional modal assurance criterion.
An analytical molecular mechanics model for the elastic properties of crystalline polyethylene
(2012)
We present an analytical model to relate the elastic properties of crystalline polyethylene based on a molecular mechanics approach. Along the polymer chains direction, the united-atom (UA) CH2-CH2 bond stretching, angle bending potentials are replaced with equivalent Euler-Bernoulli beams. Between any two polymer chains, the explicit formulae are derived for the van der Waals interaction represented by the linear springs of different stiffness. Then, the nine independent elastic constants are evaluated systematically using the formulae. The analytical model is finally validated by present united-atom molecular dynamics (MD) simulations and against available all-atom molecular dynamics results in the literature. The established analytical model provides an efficient route for mechanical characterization of crystalline polymers and related materials.
This paper proposes an adaptive atomistic- continuum numerical method for quasi-static crack growth. The phantom node method is used to model the crack in the continuum region and a molecular statics model is used near the crack tip. To ensure self-consistency in the bulk, a virtual atom cluster is used to model the material of the coarse scale. The coupling between the coarse scale and fine scale is realized through ghost atoms. The ghost atom positions are interpolated from the coarse scale solution and enforced as boundary conditions on the fine scale. The fine scale region is adaptively enlarged as the crack propagates and the region behind the crack tip is adaptively coarsened. An energy criterion is used to detect the crack tip location. The triangular lattice in the fine scale region corresponds to the lattice structure of the (111) plane of an FCC crystal. The Lennard-Jones potential is used to model the atom–atom interactions. The method is implemented in two dimensions. The results are compared to pure atomistic simulations; they show excellent agreement.
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.
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.
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 lattice dynamics properties are investigated for twisting bilayer graphene. There are big jumps for the inter-layer potential at twisting angle θ=0° and 60°, implying the stability of Bernal-stacking and the instability of AA-stacking structures, while a long platform in [8,55]° indicates the ease of twisting bilayer graphene in this wide angle range. Significant frequency shifts are observed for the z breathing mode around θ=0° and 60°, while the frequency is a constant in a wide range [8,55]°. Using the z breathing mode, a mechanical nanoresonator is proposed to operate on a robust resonant frequency in terahertz range.
In recent decades, a multitude of concepts and models were developed to understand, assess and predict muscular mechanics in the context of physiological and pathological events.
Most of these models are highly specialized and designed to selectively address fields in, e.g., medicine, sports science, forensics, product design or CGI; their data are often not transferable to other ranges of application. A single universal model, which covers the details of biochemical and neural processes, as well as the development of internal and external force and motion patterns and appearance could not be practical with regard to the diversity of the questions to be investigated and the task to find answers efficiently. With reasonable limitations though, a generalized approach is feasible.
The objective of the work at hand was to develop a model for muscle simulation which covers the phenomenological aspects, and thus is universally applicable in domains where up until now specialized models were utilized. This includes investigations on active and passive motion, structural interaction of muscles within the body and with external elements, for example in crash scenarios, but also research topics like the verification of in vivo experiments and parameter identification. For this purpose, elements for the simulation of incompressible deformations were studied, adapted and implemented into the finite element code SLang. Various anisotropic, visco-elastic muscle models were developed or enhanced. The applicability was demonstrated on the base of several examples, and a general base for the implementation of further material models was developed and elaborated.
Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems.
A vast number of existing buildings were constructed before the development and enforcement of seismic design codes, which run into the risk of being severely damaged under the action of seismic excitations. This poses not only a threat to the life of people but also affects the socio-economic stability in the affected area. Therefore, it is necessary to assess such buildings’ present vulnerability to make an educated decision regarding risk mitigation by seismic strengthening techniques such as retrofitting. However, it is economically and timely manner not feasible to inspect, repair, and augment every old building on an urban scale. As a result, a reliable rapid screening methods, namely Rapid Visual Screening (RVS), have garnered increasing interest among researchers and decision-makers alike. In this study, the effectiveness of five different Machine Learning (ML) techniques in vulnerability prediction applications have been investigated. The damage data of four different earthquakes from Ecuador, Haiti, Nepal, and South Korea, have been utilized to train and test the developed models. Eight performance modifiers have been implemented as variables with a supervised ML. The investigations on this paper illustrate that the assessed vulnerability classes by ML techniques were very close to the actual damage levels observed in the buildings.
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.
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 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.
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.
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 Machine Learning Framework for Assessing Seismic Hazard Safety of Reinforced Concrete Buildings
(2020)
Although averting a seismic disturbance and its physical, social, and economic disruption is practically impossible, using the advancements in computational science and numerical modeling shall equip humanity to predict its severity, understand the outcomes, and equip for post-disaster management. Many buildings exist amidst the developed metropolitan areas, which are senile and still in service. These buildings were also designed before establishing national seismic codes or without the introduction of construction regulations. In that case, risk reduction is significant for developing alternatives and designing suitable models to enhance the existing structure’s performance. Such models will be able to classify risks and casualties related to possible earthquakes through emergency preparation. Thus, it is crucial to recognize structures that are susceptible to earthquake vibrations and need to be prioritized for retrofitting. However, each building’s behavior under seismic actions cannot be studied through performing structural analysis, as it might be unrealistic because of the rigorous computations, long period, and substantial expenditure. Therefore, it calls for a simple, reliable, and accurate process known as Rapid Visual Screening (RVS), which serves as a primary screening platform, including an optimum number of seismic parameters and predetermined performance damage conditions for structures. In this study, the damage classification technique was studied, and the efficacy of the Machine Learning (ML) method in damage prediction via a Support Vector Machine (SVM) model was explored. The ML model is trained and tested separately on damage data from four different earthquakes, namely Ecuador, Haiti, Nepal, and South Korea. Each dataset consists of varying numbers of input data and eight performance modifiers. Based on the study and the results, the ML model using SVM classifies the given input data into the belonging classes and accomplishes the performance on hazard safety evaluation of buildings.
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.
Recently, the demand for residence and usage of urban infrastructure has been increased, thereby resulting in the elevation of risk levels of human lives over natural calamities. The occupancy demand has rapidly increased the construction rate, whereas the inadequate design of structures prone to more vulnerability. Buildings constructed before the development of seismic codes have an additional susceptibility to earthquake vibrations. The structural collapse causes an economic loss as well as setbacks for human lives. An application of different theoretical methods to analyze the structural behavior is expensive and time-consuming. Therefore, introducing a rapid vulnerability assessment method to check structural performances is necessary for future developments. The process, as mentioned earlier, is known as Rapid Visual Screening (RVS). This technique has been generated to identify, inventory, and screen structures that are potentially hazardous. Sometimes, poor construction quality does not provide some of the required parameters; in this case, the RVS process turns into a tedious scenario. Hence, to tackle such a situation, multiple-criteria decision-making (MCDM) methods for the seismic vulnerability assessment opens a new gateway. The different parameters required by RVS can be taken in MCDM. MCDM evaluates multiple conflicting criteria in decision making in several fields. This paper has aimed to bridge the gap between RVS and MCDM. Furthermore, to define the correlation between these techniques, implementation of the methodologies from Indian, Turkish, and Federal Emergency Management Agency (FEMA) codes has been done. The effects of seismic vulnerability of structures have been observed and compared.
Determining the earthquake hazard of any settlement is one of the primary studies for reducing earthquake damage. Therefore, earthquake hazard maps used for this purpose must be renewed over time. Turkey Earthquake Hazard Map has been used instead of Turkey Earthquake Zones Map since 2019. A probabilistic seismic hazard was performed by using these last two maps and different attenuation relationships for Bitlis Province (Eastern Turkey) were located in the Lake Van Basin, which has a high seismic risk. The earthquake parameters were determined by considering all districts and neighborhoods in the province. Probabilistic seismic hazard analyses were carried out for these settlements using seismic sources and four different attenuation relationships. The obtained values are compared with the design spectrum stated in the last two earthquake maps. Significant differences exist between the design spectrum obtained according to the different exceedance probabilities. In this study, adaptive pushover analyses of sample-reinforced concrete buildings were performed using the design ground motion level. Structural analyses were carried out using three different design spectra, as given in the last two seismic design codes and the mean spectrum obtained from attenuation relationships. Different design spectra significantly change the target displacements predicted for the performance levels of the buildings.
This paper extends further the strain smoothing technique in finite elements to 8-noded hexahedral elements (CS-FEM-H8). The idea behind the present method is similar to the cell-based smoothed 4-noded quadrilateral finite elements (CS-FEM-Q4). In CSFEM, the smoothing domains are created based on elements, and each element can be further subdivided into 1 or several smoothing cells. It is observed that: 1) The CS-FEM using a single smoothing cell can produce higher stress accuracy, but insufficient rank and poor displacement accuracy; 2) The CS-FEM using several smoothing cells has proper rank, good displacement accuracy, but lower stress accuracy, especially for nearly incompressible and bending dominant problems. We therefore propose 1) an extension of strain smoothing to 8-noded hexahedral elements and 2) an alternative CS-FEM form, which associates the single smoothing cell issue with multi-smoothing cell one via a stabilization technique. Several numerical examples are provided to show the reliability and accuracy of the present formulation.