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PARAMETER IDENTIFICATION OF MESOSCALE MODELS FROM MACROSCOPIC TESTS USING BAYESIAN NEURAL NETWORKS
(2010)
In this paper, a parameter identification procedure using Bayesian neural networks is proposed. Based on a training set of numerical simulations, where the material parameters are simulated in a predefined range using Latin Hypercube sampling, a Bayesian neural network, which has been extended to describe the noise of multiple outputs using a full covariance matrix, is trained to approximate the inverse relation from the experiment (displacements, forces etc.) to the material parameters. The method offers not only the possibility to determine the parameters itself, but also the accuracy of the estimate and the correlation between these parameters. As a result, a set of experiments can be designed to calibrate a numerical model.
From a macroscopic point of view, failure within concrete structures is characterized by the initiation and propagation of cracks. In the first part of the thesis, a methodology for macroscopic crack growth simulations for concrete structures using a cohesive discrete crack approach based on the extended finite element method is introduced. Particular attention is turned to the investigation of criteria for crack initiation and crack growth. A drawback of the macroscopic simulation is that the real physical phenomena leading to the nonlinear behavior are only modeled phenomenologically. For concrete, the nonlinear behavior is characterized by the initiation of microcracks which coalesce into macroscopic cracks. In order to obtain a higher resolution of this failure zones, a mesoscale model for concrete is developed that models particles, mortar matrix and the interfacial transition zone (ITZ) explicitly. The essential features are a representation of particles using a prescribed grading curve, a material formulation based on a cohesive approach for the ITZ and a combined model with damage and plasticity for the mortar matrix. Compared to numerical simulations, the response of real structures exhibits a stochastic scatter. This is e.g. due to the intrinsic heterogeneities of the structure. For mesoscale models, these intrinsic heterogeneities are simulated by using a random distribution of particles and by a simulation of spatially variable material parameters using random fields. There are two major problems related to numerical simulations on the mesoscale. First of all, the material parameters for the constitutive description of the materials are often difficult to measure directly. In order to estimate material parameters from macroscopic experiments, a parameter identification procedure based on Bayesian neural networks is developed which is universally applicable to any parameter identification problem in numerical simulations based on experimental results. This approach offers information about the most probable set of material parameters based on experimental data and information about the accuracy of the estimate. Consequently, this approach can be used a priori to determine a set of experiments to be carried out in order to fit the parameters of a numerical model to experimental data. The second problem is the computational effort required for mesoscale simulations of a full macroscopic structure. For this purpose, a coupling between mesoscale and macroscale model is developed. Representative mesoscale simulations are used to train a metamodel that is finally used as a constitutive model in a macroscopic simulation. Special focus is placed on the ability of appropriately simulating unloading.
The focus of the thesis is to process measurements acquired from a continuous
monitoring system at a railway bridge. Temperature, strain and ambient vibration
records are analysed and two main directions of investigation are pursued.
The first and the most demanding task is to develop processing routines able to extract modal parameters from ambient vibration measurements. For this purpose, reliable experimental models are achieved on the basis of a stochastic system identification(SSI) procedure. A fully automated algorithm based on a three-stage clustering is implemented to perform a modal parameter estimation for every single measurement. After selecting a baseline of modal parameters, the evolution of eigenfrequencies is
studied and correlated to environmental and operational factors.
The second aspect deals with the structural response to passing trains. Corresponding
triggered records of strain and temperature are processed and their assessment is
accomplished using the average strains induced by each train as the reference parameter.
Three influences due to speed, temperature and loads are distinguished and treated individually. An attempt to estimate the maximum response variation due to each factor is also carried out.
Damping in Bolted Joints
(2013)
With the help of modern CAE-based simulation processes, it is possible to predict the dynamic behavior of fatigue strength problems in order to improve products of many industries, e.g. the building, the machine construction or the automotive industry. Amongst others, it can be used to improve the acoustic design of automobiles in an early development stage.
Nowadays, the acoustics of automobiles plays a crucial role in the process of vehicle development. Because of the advanced demand of comfort and due to statutory rules the manufacturers are faced with the challenge of optimizing their car’s sound emissions. The optimization includes not only the reduction of noises. Lately with the trend to hybrid and electric cars, it has been shown that vehicles can become too quiet. Thus, the prediction of structural and acoustic properties based on FE-simulations is becoming increasingly important before any experimental prototype is examined. With the state of the art, qualitative comparisons between different implementations are possible. However, an accurate and reliable quantitative prediction is still a challenge.
One aspect in the context of increasing the prediction quality of acoustic (or general oscillating) problems - especially in power-trains of automobiles - is the more accurate implementation of damping in joint structures. While material damping occurs globally and homogenous in a structural system, the damping due to joints is a very local problem, since energy is especially dissipated in the vicinity of joints.
This paper focusses on experimental and numerical studies performed on a single (extracted) screw connection. Starting with experimental studies that are used to identify the underlying physical model of the energy loss, the locally influencing parameters (e.g. the damping factor) should be identified. In contrast to similar research projects, the approach tends to a more local consideration within the joint interface. Tangential stiffness and energy loss within the interface are spatially distributed and interactions between the influencing parameters are regarded. As a result, the damping matrix is no longer proportional to mass or stiffness matrix, since it is composed of the global material damping and the local joint damping. With this new approach, the prediction quality can be increased, since the local distribution of the physical parameters within the joint interface corresponds much closer to the reality.
From the design experiences of arch dams in the past, it has significant practical value to carry out the shape optimization of arch dams, which can fully make use of material characteristics and reduce the cost of constructions. Suitable variables need to be chosen to formulate the objective function, e.g. to minimize the total volume of the arch dam. Additionally a series of constraints are derived and a reasonable and convenient penalty function has been formed, which can easily enforce the characteristics of constraints and optimal design. For the optimization method, a Genetic Algorithm is adopted to perform a global search. Simultaneously, ANSYS is used to do the mechanical analysis under the coupling of thermal and hydraulic loads. One of the constraints of the newly designed dam is to fulfill requirements on the structural safety. Therefore, a reliability analysis is applied to offer a good decision supporting for matters concerning predictions of both safety and service life of the arch dam. By this, the key factors which would influence the stability and safety of arch dam significantly can be acquired, and supply a good way to take preventive measures to prolong ate the service life of an arch dam and enhances the safety of structure.
Due to an increased need for hydro-electricity, water storage, and flood protection, it is assumed that a series of new dams will be built throughout the world. Comparing existing design methodologies for arch-type dams, model-based shape optimization can effectively reduce construction costs and leverage the properties of construction materials. To apply the means of shape optimization, suitable variables need to be chosen to formulate the objective function, which is the volume of the arch dam here. In order to increase the consistency with practical conditions, a great number of geometrical and behavioral constraints are included in the mathematical model. An optimization method, namely Genetic Algorithm is adopted which allows a global search.
Traditional optimization techniques are realized based on a deterministic approach, which means that the material properties and loading conditions are assumed to be fixed values. As a result, the real-world structures that are optimized by these approaches suffer from uncertainties that one needs to be aware of. Hence, in any optimization process for arch dams, it is nec- essary to find a methodology that is capable of considering the influences of uncertainties and generating a solution which is robust enough against the uncertainties.
The focus of this thesis is the formulation and the numerical method for the optimization of the arch dam under the uncertainties. The two main models, the probabilistic model, and non-probabilistic models are intro- duced and discussed. Classic procedures of probabilistic approaches un- der uncertainties, such as RDO (robust design optimization) and RBDO (reliability-based design optimization), are in general computationally ex- pensive and rely on estimates of the system’s response variance and fail- ure probabilities. Instead, the robust optimization (RO) method which is based on the non-probabilistic model, will not follow a full probabilistic approach but works with pre-defined confidence levels. This leads to a bi-level optimization program where the volume of the dam is optimized under the worst combination of the uncertain parameters. By this, robust and reliable designs are obtained and the result is independent of any as- sumptions on stochastic properties of the random variables in the model.
The optimization of an arch-type dam is realized here by a robust optimiza- tion method under load uncertainty, where hydraulic and thermal loads are considered. The load uncertainty is modeled as an ellipsoidal expression. Comparing with any traditional deterministic optimization (DO) method, which only concerns the minimum objective value and offers a solution candidate close to limit-states, the RO method provides a robust solution against uncertainties.
All the above mentioned methods are applied to the optimization of the arch dam to compare with the optimal design with DO methods. The re- sults are compared and analyzed to discuss the advantages and drawbacks of each method.
In order to reduce the computational cost, a ranking strategy and an ap- proximation model are further involved to do a preliminary screening. By means of these, the robust design can generate an improved arch dam structure which ensures both safety and serviceability during its lifetime.
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.
Paraffin Nanocomposites for Heat Management of Lithium-Ion Batteries: A Computational Investigation
(2016)
Lithium-ion (Li-ion) batteries are currently considered as vital components for advances in mobile technologies such as those in communications and transport. Nonetheless, Li-ion batteries suffer from temperature rises which sometimes lead to operational damages or may even cause fire. An appropriate solution to control the temperature changes during the operation of Li-ion batteries is to embed batteries inside a paraffin matrix to absorb and dissipate heat. In the present work, we aimed to investigate the possibility of making paraffin nanocomposites for better heat management of a Li-ion battery pack. To fulfill this aim, heat generation during a battery charging/discharging cycles was simulated using Newman’s well established electrochemical pseudo-2D model. We couple this model to a 3D heat transfer model to predict the temperature evolution during the battery operation. In the later model, we considered different paraffin nanocomposites structures made by the addition of graphene, carbon nanotubes, and fullerene by assuming the same thermal conductivity for all fillers. This way, our results mainly correlate with the geometry of the fillers. Our results assess the degree of enhancement in heat dissipation of Li-ion batteries through the use of paraffin nanocomposites. Our results may be used as a guide for experimental set-ups to improve the heat management of Li-ion batteries.
The concept of information entropy together with the principle of maximum entropy to open channel flow is essentially based on some physical consideration of the problem under consideration. This paper is a discussion on Yeganeh and Heidari (2020)’s paper, who proposed a new approach for measuring vertical distribution of streamwise velocity in open channels. The discussers argue that their approach is conceptually incorrect and thus leads to a physically unrealistic situation. In addition, the discussers found some wrong mathematical expressions (which are assumed to be typos) written in the paper, and also point out that the authors did not cite some of the original papers on the topic.
FCS-MBFLEACH: Designing an Energy-Aware Fault Detection System for Mobile Wireless Sensor Networks
(2019)
Wireless sensor networks (WSNs) include large-scale sensor nodes that are densely distributed over a geographical region that is completely randomized for monitoring, identifying, and analyzing physical events. The crucial challenge in wireless sensor networks is the very high dependence of the sensor nodes on limited battery power to exchange information wirelessly as well as the non-rechargeable battery of the wireless sensor nodes, which makes the management and monitoring of these nodes in terms of abnormal changes very difficult. These anomalies appear under faults, including hardware, software, anomalies, and attacks by raiders, all of which affect the comprehensiveness of the data collected by wireless sensor networks. Hence, a crucial contraption should be taken to detect the early faults in the network, despite the limitations of the sensor nodes. Machine learning methods include solutions that can be used to detect the sensor node faults in the network. The purpose of this study is to use several classification methods to compute the fault detection accuracy with different densities under two scenarios in regions of interest such as MB-FLEACH, one-class support vector machine (SVM), fuzzy one-class, or a combination of SVM and FCS-MBFLEACH methods. It should be noted that in the study so far, no super cluster head (SCH) selection has been performed to detect node faults in the network. The simulation outcomes demonstrate that the FCS-MBFLEACH method has the best performance in terms of the accuracy of fault detection, false-positive rate (FPR), average remaining energy, and network lifetime compared to other classification methods.
A novel combination of the ant colony optimization algorithm (ACO)and computational fluid dynamics (CFD) data is proposed for modeling the multiphase chemical reactors. The proposed intelligent model presents a probabilistic computational strategy for predicting various levels of three-dimensional bubble column reactor (BCR) flow. The results prove an enhanced communication between ant colony prediction and CFD data in different sections of the BCR.
Evaporation is a very important process; it is one of the most critical factors in agricultural, hydrological, and meteorological studies. Due to the interactions of multiple climatic factors, evaporation is considered as a complex and nonlinear phenomenon to model. Thus, machine learning methods have gained popularity in this realm. In the present study, four machine learning methods of Gaussian Process Regression (GPR), K-Nearest Neighbors (KNN), Random Forest (RF) and Support Vector Regression (SVR) were used to predict the pan evaporation (PE). Meteorological data including PE, temperature (T), relative humidity (RH), wind speed (W), and sunny hours (S) collected from 2011 through 2017. The accuracy of the studied methods was determined using the statistical indices of Root Mean Squared Error (RMSE), correlation coefficient (R) and Mean Absolute Error (MAE). Furthermore, the Taylor charts utilized for evaluating the accuracy of the mentioned models. The results of this study showed that at Gonbad-e Kavus, Gorgan and Bandar Torkman stations, GPR with RMSE of 1.521 mm/day, 1.244 mm/day, and 1.254 mm/day, KNN with RMSE of 1.991 mm/day, 1.775 mm/day, and 1.577 mm/day, RF with RMSE of 1.614 mm/day, 1.337 mm/day, and 1.316 mm/day, and SVR with RMSE of 1.55 mm/day, 1.262 mm/day, and 1.275 mm/day had more appropriate performances in estimating PE values. It was found that GPR for Gonbad-e Kavus Station with input parameters of T, W and S and GPR for Gorgan and Bandar Torkmen stations with input parameters of T, RH, W and S had the most accurate predictions and were proposed for precise estimation of PE. The findings of the current study indicated that the PE values may be accurately estimated with few easily measured meteorological parameters.
The gradual digitization in the architecture, engineering, and construction industry over the past fifty years led to an extremely heterogeneous software environment, which today is embodied by the multitude of different digital tools and proprietary data formats used by the many specialists contributing to the design process in a construction project. Though these projects become increasingly complex, the demands on financial efficiency and the completion within a tight schedule grow at the same time. The digital collaboration of project partners has been identified as one key issue in successfully dealing with these challenges. Yet currently, the numerous software applications and their respective individual views on the design process severely impede that collaboration.
An approach to establish a unified basis for the digital collaboration, regardless of the existing software heterogeneity, is a comprehensive digital building model contributed to by all projects partners. This type of data management known as building information modeling (BIM) has many benefits, yet its adoption is associated with many difficulties and thus, proceeds only slowly. One aspect in the field of conflicting requirements on such a digital model is the cooperation of architects and structural engineers. Traditionally, these two disciplines use different abstractions of reality for their models that in consequence lead to incompatible digital representations thereof.
The onset of isogeometric analysis (IGA) promised to ease the discrepancy in design and analysis model representations. Yet, that initial focus quickly shifted towards using these methods as a more powerful basis for numerical simulations. Furthermore, the isogeometric representation alone is not capable of solving the model abstraction problem. It is thus the intention of this work to contribute to an improved digital collaboration of architects and engineers by exploring an integrated analysis approach on the basis of an unified digital model and solid geometry expressed by splines. In the course of this work, an analysis framework is developed that utilizes such models to automatically conduct numerical simulations commonly required in construction projects. In essence, this allows to retrieve structural analysis results from BIM models in a fast and simple manner, thereby facilitating rapid design iterations and profound design feedback.
The BIM implementation Industry Foundation Classes (IFC) is reviewed with regard to its capabilities of representing the unified model. The current IFC schema strongly supports the use of redundant model data, a major pitfall in digital collaboration. Additionally, it does not allow to describe the geometry by volumetric splines. As the pursued approach builds upon a unique model for both, architectural and structural design, and furthermore requires solid geometry, necessary schema modifications are suggested.
Structural entities are modeled by volumetric NURBS patches, each of which constitutes an individual subdomain that, with regard to the analysis, is incompatible with the remaining full model. The resulting consequences for numerical simulation are elaborated in this work. The individual subdomains have to be weakly coupled, for which the mortar method is used. Different approaches to discretize the interface traction fields are implemented and their respective impact on the analysis results is evaluated. All necessary coupling conditions are automatically derived from the related geometry model.
The weak coupling procedure leads to a linear system of equations in saddle point form, which, owed to the volumetric modeling, is large in size and, the associated coefficient matrix has, due to the use of higher degree basis functions, a high bandwidth. The peculiarities of the system require adapted solution methods that generally cause higher numerical costs than the standard procedures for symmetric, positive-definite systems do. Different methods to solve the specific system are investigated and an efficient parallel algorithm is finally proposed.
When the structural analysis model is derived from the unified model in the BIM data, it does in general initially not meet the requirements on the discretization that are necessary to obtain sufficiently accurate analysis results. The consequently necessary patch refinements must be controlled automatically to allowfor an entirely automatic analysis procedure. For that purpose, an empirical refinement scheme based on the geometrical and possibly mechanical properties of the specific entities is proposed. The level of refinement may be selectively manipulated by the structural engineer in charge. Furthermore, a Zienkiewicz-Zhu type error estimator is adapted for the use with isogeometric analysis results. It is shown that also this estimator can be used to steer an adaptive refinement procedure.
The numerical simulation of microstructure models in 3D requires, due to enormous d.o.f., significant resources of memory as well as parallel computational power. Compared to homogeneous materials, the material hetrogeneity on microscale induced by different material phases demand for adequate computational methods for discretization and solution process of the resulting highly nonlinear problem. To enable an efficient/scalable solution process of the linearized equation systems the heterogeneous FE problem will be described by a FETI-DP (Finite Element Tearing and Interconnecting - Dual Primal) discretization. The fundamental FETI-DP equation can be solved by a number of different approaches. In our approach the FETI-DP problem will be reformulated as Saddle Point system, by eliminating the primal and Lagrangian variables. For the reduced Saddle Point system, only defined by interior and dual variables, special Uzawa algorithms can be adapted for iteratively solving the FETI-DP saddle-point equation system (FETI-DP SPE). A conjugate gradient version of the Uzawa algorithm will be shown as well as some numerical tests regarding to FETI-DP discretization of small examples using the presented solution technique. Furthermore the inversion of the interior-dual Schur complement operator can be approximated using different techniques building an adequate preconditioning matrix and therewith leading to substantial gains in computing time efficiency.
Modern digital material approaches for the visualization and simulation of heterogeneous materials allow to investigate the behavior of complex multiphase materials with their physical nonlinear material response at various scales. However, these computational techniques require extensive hardware resources with respect to computing power and main memory to solve numerically large-scale discretized models in 3D. Due to a very high number of degrees of freedom, which may rapidly be increased to the two-digit million range, the limited hardware ressources are to be utilized in a most efficient way to enable an execution of the numerical algorithms in minimal computation time. Hence, in the field of computational mechanics, various methods and algorithms can lead to an optimized runtime behavior of nonlinear simulation models, where several approaches are proposed and investigated in this thesis.
Today, the numerical simulation of damage effects in heterogeneous materials is performed by the adaption of multiscale methods. A consistent modeling in the three-dimensional space with an appropriate discretization resolution on each scale (based on a hierarchical or concurrent multiscale model), however, still contains computational challenges in respect to the convergence behavior, the scale transition or the solver performance of the weak coupled problems. The computational efficiency and the distribution among available hardware resources (often based on a parallel hardware architecture) can significantly be improved. In the past years, high-performance computing (HPC) and graphics processing unit (GPU) based computation techniques were established for the investigationof scientific objectives. Their application results in the modification of existing and the development of new computational methods for the numerical implementation, which enables to take advantage of massively clustered computer hardware resources. In the field of numerical simulation in material science, e.g. within the investigation of damage effects in multiphase composites, the suitability of such models is often restricted by the number of degrees of freedom (d.o.f.s) in the three-dimensional spatial discretization. This proves to be difficult for the type of implementation method used for the nonlinear simulation procedure and, simultaneously has a great influence on memory demand and computational time.
In this thesis, a hybrid discretization technique has been developed for the three-dimensional discretization of a three-phase material, which is respecting the numerical efficiency of nonlinear (damage) simulations of these materials. The increase of the computational efficiency is enabled by the improved scalability of the numerical algorithms. Consequently, substructuring methods for partitioning the hybrid mesh were implemented, tested and adapted to the HPC computing framework using several hundred CPU (central processing units) nodes for building the finite element assembly. A memory-efficient iterative and parallelized equation solver combined with a special preconditioning technique for solving the underlying equation system was modified and adapted to enable combined CPU and GPU based computations.
Hence, it is recommended by the author to apply the substructuring method for hybrid meshes, which respects different material phases and their mechanical behavior and which enables to split the structure in elastic and inelastic parts. However, the consideration of the nonlinear material behavior, specified for the corresponding phase, is limited to the inelastic domains only, and by that causes a decreased computing time for the nonlinear procedure. Due to the high numerical effort for such simulations, an alternative approach for the nonlinear finite element analysis, based on the sequential linear analysis, was implemented in respect to scalable HPC. The incremental-iterative procedure in finite element analysis (FEA) during the nonlinear step was then replaced by a sequence of linear FE analysis when damage in critical regions occured, known in literature as saw-tooth approach. As a result, qualitative (smeared) crack initiation in 3D multiphase specimens has efficiently been simulated.
Realistic uncertainty description incorporating aleatoric and epistemic uncertainties can be described within the framework of polymorphic uncertainty, which is computationally demanding. Utilizing a domain decomposition approach for random field based uncertainty models the proposed level-based sampling method can reduce these computational costs significantly and shows good agreement with a standard sampling technique. While 2-level configurations tend to get unstable with decreasing sampling density 3-level setups show encouraging results for the investigated reliability analysis of a structural unit square.
Turbomachinery plays an important role in many cases of energy generation or conversion. Therefore, turbomachinery is a promising approaching point for optimization in order to increase the efficiency of energy use. In recent years, the use of automated optimization strategies in combination with numerical simulation has become increasingly popular in many fields of engineering. The complex interactions between fluid and solid mechanics encountered in turbomachines on the one hand and the high computational expense needed to calculate the performance on the other hand, have, however, prevented a widespread use of these techniques in this field of engineering. The objective of this work was the development of a strategy for efficient metamodel based optimization of centrifugal compressor impellers. In this context, the main focus is the reduction of the required numerical expense. The central idea followed in this research was the incorporation of preliminary information acquired from low-fidelity computation methods and empirical correlations into the sampling process to identify promising regions of the parameter space. This information was then used to concentrate the numerically expensive high-fidelity computations of the fluid dynamic and structure mechanic performance of the impeller in these regions while still maintaining a good coverage of the whole parameter space. The development of the optimization strategy can be divided into three main tasks. Firstly, the available preliminary information had to be researched and rated. This research identified loss models based on one dimensional flow physics and empirical correlations as the best suited method to predict the aerodynamic performance. The loss models were calibrated using available performance data to obtain a high prediction quality. As no sufficiently exact models for the prediction of the mechanical loading of the impellercould be identified, a metamodel based on finite element computations was chosen for this estimation. The second task was the development of a sampling method which concentrates samples in regions of the parameter space where high quality designs are predicted by the preliminary information while maintaining a good overall coverage. As available methods like rejection sampling or Markov-chain Monte-Carlo methods did not meet the requirements in terms of sample distribution and input correlation, a new multi-fidelity sampling method called “Filtered Sampling“has been developed. The last task was the development of an automated computational workflow. This workflow encompasses geometry parametrization, geometry generation, grid generation and computation of the aerodynamic performance and the structure mechanic loading. Special emphasis was put into the development of a geometry parametrization strategy based on fluid mechanic considerations to prevent the generation of physically inexpedient designs. Finally, the optimization strategy, which utilizes the previously developed tools, was successfully employed to carry out three optimization tasks. The efficiency of the method was proven by the first and second testcase where an existing compressor design was optimized by the presented method. The results were comparable to optimizations which did not take preliminary information into account, while the required computational expense cloud be halved. In the third testcase, the method was applied to generate a new impeller design. In contrast to the previous examples, this optimization featuredlargervariationsoftheimpellerdesigns. Therefore, theapplicability of the method to parameter spaces with significantly varying designs could be proven, too.
Image Analysis Using Human Body Geometry and Size Proportion Science for Action Classification
(2020)
Gestures are one of the basic modes of human communication and are usually used to represent different actions. Automatic recognition of these actions forms the basis for solving more complex problems like human behavior analysis, video surveillance, event detection, and sign language recognition, etc. Action recognition from images is a challenging task as the key information like temporal data, object trajectory, and optical flow are not available in still images. While measuring the size of different regions of the human body i.e., step size, arms span, length of the arm, forearm, and hand, etc., provides valuable clues for identification of the human actions. In this article, a framework for classification of the human actions is presented where humans are detected and localized through faster region-convolutional neural networks followed by morphological image processing techniques. Furthermore, geometric features from human blob are extracted and incorporated into the classification rules for the six human actions i.e., standing, walking, single-hand side wave, single-hand top wave, both hands side wave, and both hands top wave. The performance of the proposed technique has been evaluated using precision, recall, omission error, and commission error. The proposed technique has been comparatively analyzed in terms of overall accuracy with existing approaches showing that it performs well in contrast to its counterparts.
Material properties play a critical role in durable products manufacturing. Estimation of the precise characteristics in different scales requires complex and expensive experimental measurements. Potentially, computational methods can provide a platform to determine the fundamental properties before the final experiment. Multi-scale computational modeling leads to the modeling of the various time, and length scales include nano, micro, meso, and macro scales. These scales can be modeled separately or in correlation with coarser scales. Depend on the interested scales modeling, the right selection of multi-scale methods leads to reliable results and affordable computational cost. The present dissertation deals with the problems in various length and time scales using computational methods include density functional theory (DFT), molecular mechanics (MM), molecular dynamics (MD), and finite element (FE) methods.
Physical and chemical interactions in lower scales determine the coarser scale properties. Particles interaction modeling and exploring fundamental properties are significant challenges of computational science. Downscale modelings need more computational effort due to a large number of interacted atoms/particles. To deal with this problem and bring up a fine-scale (nano) as a coarse-scale (macro) problem, we extended an atomic-continuum framework. The discrete atomic models solve as a continuum problem using the computationally efficient FE method. MM or force field method based on a set of assumptions approximates a solution on the atomic scale. In this method, atoms and bonds model as a harmonic oscillator with a system of mass and springs. The negative gradient of the potential energy equal to the forces on each atom. In this way, each bond's total potential energy includes bonded, and non-bonded energies are simulated as equivalent structural strain energies. Finally, the chemical nature of the atomic bond is modeled as a piezoelectric beam element that solves by the FE method.
Exploring novel materials with unique properties is a demand for various industrial applications. During the last decade, many two-dimensional (2D) materials have been synthesized and shown outstanding properties. Investigation of the probable defects during the formation/fabrication process and studying their strength under severe service life are the critical tasks to explore performance prospects. We studied various defects include nano crack, notch, and point vacancy (Stone-Wales defect) defects employing MD analysis. Classical MD has been used to simulate a considerable amount of molecules at micro-, and meso- scales. Pristine and defective nanosheet structures considered under the uniaxial tensile loading at various temperatures using open-source LAMMPS codes. The results were visualized with the open-source software of OVITO and VMD.
Quantum based first principle calculations have been conducting at electronic scales and known as the most accurate Ab initio methods. However, they are computationally expensive to apply for large systems. We used density functional theory (DFT) to estimate the mechanical and electrochemical response of the 2D materials. Many-body Schrödinger's equation describes the motion and interactions of the solid-state particles. Solid describes as a system of positive nuclei and negative electrons, all electromagnetically interacting with each other, where the wave function theory describes the quantum state of the set of particles. However, dealing with the 3N coordinates of the electrons, nuclei, and N coordinates of the electrons spin components makes the governing equation unsolvable for just a few interacted atoms. Some assumptions and theories like Born Oppenheimer and Hartree-Fock mean-field and Hohenberg-Kohn theories are needed to treat with this equation. First, Born Oppenheimer approximation reduces it to the only electronic coordinates. Then Kohn and Sham, based on Hartree-Fock and Hohenberg-Kohn theories, assumed an equivalent fictitious non-interacting electrons system as an electron density functional such that their ground state energies are equal to a set of interacting electrons. Exchange-correlation energy functionals are responsible for satisfying the equivalency between both systems. The exact form of the exchange-correlation functional is not known. However, there are widely used methods to derive functionals like local density approximation (LDA), Generalized gradient approximation (GGA), and hybrid functionals (e.g., B3LYP). In our study, DFT performed using VASP codes within the GGA/PBE approximation, and visualization/post-processing of the results realized via open-source software of VESTA.
The extensive DFT calculations are conducted 2D nanomaterials prospects as anode/cathode electrode materials for batteries. Metal-ion batteries' performance strongly depends on the design of novel electrode material. Two-dimensional (2D) materials have developed a remarkable interest in using as an electrode in battery cells due to their excellent properties. Desirable battery energy storage systems (BESS) must satisfy the high energy density, safe operation, and efficient production costs. Batteries have been using in electronic devices and provide a solution to the environmental issues and store the discontinuous energies generated from renewable wind or solar power plants. Therefore, exploring optimal electrode materials can improve storage capacity and charging/discharging rates, leading to the design of advanced batteries.
Our results in multiple scales highlight not only the proposed and employed methods' efficiencies but also promising prospect of recently synthesized nanomaterials and their applications as an anode material. In this way, first, a novel approach developed for the modeling of the 1D nanotube as a continuum piezoelectric beam element. The results converged and matched closely with those from experiments and other more complex models. Then mechanical properties of nanosheets estimated and the failure mechanisms results provide a useful guide for further use in prospect applications. Our results indicated a comprehensive and useful vision concerning the mechanical properties of nanosheets with/without defects. Finally, mechanical and electrochemical properties of the several 2D nanomaterials are explored for the first time—their application performance as an anode material illustrates high potentials in manufacturing super-stretchable and ultrahigh-capacity battery energy storage systems (BESS). Our results exhibited better performance in comparison to the available commercial anode materials.
In this paper, an artificial neural network is implemented for the sake of predicting the thermal conductivity ratio of TiO2-Al2O3/water nanofluid. TiO2-Al2O3/water in the role of an innovative type of nanofluid was synthesized by the sol–gel method. The results indicated that 1.5 vol.% of nanofluids enhanced the thermal conductivity by up to 25%. It was shown that the heat transfer coefficient was linearly augmented with increasing nanoparticle concentration, but its variation with temperature was nonlinear. It should be noted that the increase in concentration may cause the particles to agglomerate, and then the thermal conductivity is reduced. The increase in temperature also increases the thermal conductivity, due to an increase in the Brownian motion and collision of particles. In this research, for the sake of predicting the thermal conductivity of TiO2-Al2O3/water nanofluid based on volumetric concentration and temperature functions, an artificial neural network is implemented. In this way, for predicting thermal conductivity, SOM (self-organizing map) and BP-LM (Back Propagation-Levenberq-Marquardt) algorithms were used. Based on the results obtained, these algorithms can be considered as an exceptional tool for predicting thermal conductivity. Additionally, the correlation coefficient values were equal to 0.938 and 0.98 when implementing the SOM and BP-LM algorithms, respectively, which is highly acceptable. View Full-Text