High Performance Computing for Materials Process Modeling

High Performance Computing for Materials Process Modeling
Author:
Publisher:
Total Pages: 9
Release: 1993
Genre:
ISBN:

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Advanced mathematical techniques and computer simulation play a major role in providing enhanced understanding of conventional materials processing operations such as welding and joining. Many of these numerical models are highly compute-intensive. It is not unusual for an analysis to require several hours of computational time on current supercomputers despite the simplicity of the models being studied. As computer simulations and materials databases grow in complexity, massively parallel computers have become important tools. This paper briefly describes massively parallel computational research at the ORNL with the objective of providing fundamental insight into the welding process.

Materials Science and Engineering

Materials Science and Engineering
Author: Laurent A. Baumes
Publisher: Elsevier Inc. Chapters
Total Pages: 51
Release: 2013-07-10
Genre: Technology & Engineering
ISBN: 0128059435

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Very recently, the design and understanding of materials synthesis have received considerable attention where modeling approaches are decisive. Here, we focus on the generation of crystalline inorganic frameworks. Despite high-throughput (HT) methods having proved to be useful for the discovery of zeolites, the determination of the new phases’ structure takes up a large part of the entire process. Therefore, we show how graphic processing units (GPUs) can be used in order to speed up this mandatory step. We describe GPUs and predictive methods for phase determination. Then, we show all the details that allow us to reach a stable and robust solution with benchmark analysis and real applications for zeolites.

Computational Materials Engineering

Computational Materials Engineering
Author: Maciej Pietrzyk
Publisher: Butterworth-Heinemann
Total Pages: 388
Release: 2015-07-14
Genre: Technology & Engineering
ISBN: 0124167241

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Computational Materials Engineering: Achieving High Accuracy and Efficiency in Metals Processing Simulations describes the most common computer modeling and simulation techniques used in metals processing, from so-called "fast" models to more advanced multiscale models, also evaluating possible methods for improving computational accuracy and efficiency. Beginning with a discussion of conventional fast models like internal variable models for flow stress and microstructure evolution, the book moves on to advanced multiscale models, such as the CAFÉ method, which give insights into the phenomena occurring in materials in lower dimensional scales. The book then delves into the various methods that have been developed to deal with problems, including long computing times, lack of proof of the uniqueness of the solution, difficulties with convergence of numerical procedures, local minima in the objective function, and ill-posed problems. It then concludes with suggestions on how to improve accuracy and efficiency in computational materials modeling, and a best practices guide for selecting the best model for a particular application. Presents the numerical approaches for high-accuracy calculations Provides researchers with essential information on the methods capable of exact representation of microstructure morphology Helpful to those working on model classification, computing costs, heterogeneous hardware, modeling efficiency, numerical algorithms, metamodeling, sensitivity analysis, inverse method, clusters, heterogeneous architectures, grid environments, finite element, flow stress, internal variable method, microstructure evolution, and more Discusses several techniques to overcome modeling and simulation limitations, including distributed computing methods, (hyper) reduced-order-modeling techniques, regularization, statistical representation of material microstructure, and the Gaussian process Covers both software and hardware capabilities in the area of improved computer efficiency and reduction of computing time

Scientific Modeling and Simulations

Scientific Modeling and Simulations
Author: Sidney Yip
Publisher: Springer Science & Business Media
Total Pages: 396
Release: 2010-04-07
Genre: Science
ISBN: 1402097417

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Although computational modeling and simulation of material deformation was initiated with the study of structurally simple materials and inert environments, there is an increasing demand for predictive simulation of more realistic material structure and physical conditions. In particular, it is recognized that applied mechanical force can plausibly alter chemical reactions inside materials or at material interfaces, though the fundamental reasons for this chemomechanical coupling are studied in a material-speci c manner. Atomistic-level s- ulations can provide insight into the unit processes that facilitate kinetic reactions within complex materials, but the typical nanosecond timescales of such simulations are in contrast to the second-scale to hour-scale timescales of experimentally accessible or technologically relevant timescales. Further, in complex materials these key unit processes are “rare events” due to the high energy barriers associated with those processes. Examples of such rare events include unbinding between two proteins that tether biological cells to extracellular materials [1], unfolding of complex polymers, stiffness and bond breaking in amorphous glass bers and gels [2], and diffusive hops of point defects within crystalline alloys [3].

Modeling, Simulation and Optimization of Complex Processes HPSC 2015

Modeling, Simulation and Optimization of Complex Processes HPSC 2015
Author: Hans Georg Bock
Publisher: Springer
Total Pages: 289
Release: 2017-11-16
Genre: Mathematics
ISBN: 3319671685

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This proceedings volume highlights a selection of papers presented at the Sixth International Conference on High Performance Scientific Computing, which took place in Hanoi, Vietnam on March 16-20, 2015. The conference was jointly organized by the Heidelberg Institute of Theoretical Studies (HITS), the Institute of Mathematics of the Vietnam Academy of Science and Technology (VAST), the Interdisciplinary Center for Scientific Computing (IWR) at Heidelberg University, and the Vietnam Institute for Advanced Study in Mathematics, Ministry of Education The contributions cover a broad, interdisciplinary spectrum of scientific computing and showcase recent advances in theory, methods, and practical applications. Subjects covered numerical simulation, methods for optimization and control, parallel computing, and software development, as well as the applications of scientific computing in physics, mechanics, biomechanics and robotics, material science, hydrology, biotechnology, medicine, transport, scheduling, and industry.

High Performance Computing and the Discrete Element Model

High Performance Computing and the Discrete Element Model
Author: Gao-Feng Zhao
Publisher: Elsevier
Total Pages: 166
Release: 2015-10-31
Genre: Technology & Engineering
ISBN: 0081008090

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This book addresses the high performance computing of the Discrete Element Model (DEM). It is a comprehensive presentation of parallel implementation of the DEM on three popular parallel computing platforms; the multi-core PC, the GPU computer, and the cluster supercomputer. Featuring accompanying MatLab source this book helps you implement the DEM model for use with high performing technology, for particular implementation of the dynamic failure of solids, granular flow and stress wave propagation through solids. Features both Pre-processor, Solver, and Post-processor for the DEM Covers the parallel implementation of DEM on the cluster, multi-core PC, GPU PC Full of examples of dynamic fracturing, granular flow and stress wave propagation using high performance DEM Source codes and data files available for hands-on practice

Modeling, Simulation and Optimization of Complex Processes HPSC 2018

Modeling, Simulation and Optimization of Complex Processes HPSC 2018
Author: Hans Georg Bock
Publisher: Springer Nature
Total Pages: 402
Release: 2020-12-01
Genre: Mathematics
ISBN: 3030552403

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This proceedings volume highlights a selection of papers presented at the 7th International Conference on High Performance Scientific Computing, which took place in Hanoi, Vietnam, during March 19-23, 2018. The conference has been organized by the Institute of Mathematics of the Vietnam Academy of Science and Technology, the Interdisciplinary Center for Scientific Computing (IWR) of Heidelberg University and the Vietnam Institute for Advanced Study in Mathematics. The contributions cover a broad, interdisciplinary spectrum of scientific computing and showcase recent advances in theory, methods, and practical applications. Subjects covered include numerical simulation, methods for optimization and control, machine learning, parallel computing and software development, as well as the applications of scientific computing in mechanical engineering, airspace engineering, environmental physics, decision making, hydrogeology, material science and electric circuits.

Applying Molecular and Materials Modeling

Applying Molecular and Materials Modeling
Author: Phillip R. Westmoreland
Publisher: Springer Science & Business Media
Total Pages: 596
Release: 2013-04-17
Genre: Science
ISBN: 9401707650

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Computational molecular and materials modeling has emerged to deliver solid technological impacts in the chemical, pharmaceutical, and materials industries. It is not the all-predictive science fiction that discouraged early adopters in the 1980s. Rather, it is proving a valuable aid to designing and developing new products and processes. People create, not computers, and these tools give them qualitative relations and quantitative properties that they need to make creative decisions. With detailed analysis and examples from around the world, Applying Molecular and Materials Modeling describes the science, applications, and infrastructures that have proven successful. Computational quantum chemistry, molecular simulations, informatics, desktop graphics, and high-performance computing all play important roles. At the same time, the best technology requires the right practitioners, the right organizational structures, and - most of all - a clearly understood blend of imagination and realism that propels technological advances. This book is itself a powerful tool to help scientists, engineers, and managers understand and take advantage of these advances.

Application of High Performance Computing to Automotive Design and Manufacturing

Application of High Performance Computing to Automotive Design and Manufacturing
Author:
Publisher:
Total Pages: 57
Release: 1997
Genre:
ISBN:

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This report provides a theoretical background for three constitutive models for a continuous strand mat (CSM) glass fiber-thermoset polymer matrix composite. The models were developed during fiscal years 1994 through 1997 as a part of the Cooperative Research and Development Agreement, "Application of High-Performance Computing to Automotive Design and Manufacturing." The full derivation of constitutive relations in the framework of the continuum program DYNA3D and have been used for the simulation and impact analysis of CSM composite tubes. The analysis of simulation and experimental results show that the model based on strain tensor split yields the most accurate results of the three implemented models. The parameters used in the models and their derivation from the physical tests are documented.