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Materials Modelling

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Materials Modelling

Materials Modelling Book
Author : English
Publisher : CRC Press
Release : 2020-11-26
ISBN : 1000157075
Language : En, Es, Fr & De

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Book Description :

In Materials Modelling: From Theory to Technology, a distinguished collection of authors has been assembled to celebrate the 60th birthday of Dr. R. Bullough, FRS and honor his contribution to the subject over the past 40 years. The volume explores subjects that have implications in a wide range of technologies, focusing on how basic research can be applied to real problems in science and engineering. Linking theory and technology, the book progresses from the theoretical background to current and future practical applications of modeling. Accessible to a diverse audience, it requires little specialist knowledge beyond a physics degree. The book is useful reading for postgraduates and researchers in condensed matter, nuclear engineering, and physical metallurgy, in addition to workers in R&D laboratories and the high technology industry.

Multiscale Materials Modelling

Multiscale Materials Modelling Book
Author : Z. X. Guo
Publisher : Elsevier
Release : 2007-05-31
ISBN : 184569337X
Language : En, Es, Fr & De

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Book Description :

Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications. The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling is a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design. Reviews the principles and applications of mult-scale materials modelling Covers themes such as dislocation behaviour and plasticity and the modelling of structural materials Examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling

Materials Modelling using Density Functional Theory

Materials Modelling using Density Functional Theory Book
Author : Feliciano Giustino
Publisher : OUP Oxford
Release : 2014-05-15
ISBN : 0191639435
Language : En, Es, Fr & De

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Book Description :

This book is an introduction to the quantum theory of materials and first-principles computational materials modelling. It explains how to use density functional theory as a practical tool for calculating the properties of materials without using any empirical parameters. The structural, mechanical, optical, electrical, and magnetic properties of materials are described within a single unified conceptual framework, rooted in the Schrödinger equation of quantum mechanics, and powered by density functional theory. This book is intended for senior undergraduate and first-year graduate students in materials science, physics, chemistry, and engineering who are approaching for the first time the study of materials at the atomic scale. The inspiring principle of the book is borrowed from one of the slogans of the Perl programming language, 'Easy things should be easy and hard things should be possible'. Following this philosophy, emphasis is placed on the unifying concepts, and on the frequent use of simple heuristic arguments to build on one's own intuition. The presentation style is somewhat cross disciplinary; an attempt is made to seamlessly combine materials science, quantum mechanics, electrodynamics, and numerical analysis, without using a compartmentalized approach. Each chapter is accompanied by an extensive set of references to the original scientific literature and by exercises where all key steps and final results are indicated in order to facilitate learning. This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory.

Frontiers in Materials Modelling and Design

Frontiers in Materials Modelling and Design Book
Author : Vijay Kumar,Surajit Sengupta,Baldev Raj
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 3642804780
Language : En, Es, Fr & De

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Book Description :

It is about fifteen years since we started hearing about Computational Ma terials Science and Materials Modelling and Design. Fifteen years is a long time and all of us realise that the use of computational methods in the design of materials has not been rapid enough. We also know the reasons for this. Mate rials properties are not dependent on a single phenomenon. The properties of materials cover a wide range from electronic, thermal, mechanical to chemical and electro-chemical. Each of these class of properties depend on specific phe nomenon that takes place at different scales or levels of length from sub atomic to visible length levels. The energies controlling the phenomena also varies widely from a fraction of an electron volt to many joules. The complexity of materials are such that while models and methods for treating individual phenomenon have been perfected, incorporating them into a single programme taking into account the synergism is a formidable task. Two specific areas where the progress has been very rapid and substantive are prediction of phase stability and phase diagrams and embrittlement of steels by metalloids. The first three sections of the book contain papers which review the theoreti cal principles underlying materials modeling and simulations and show how they can be applied to the problems just mentioned. There is now a strong interest in designing new materials starting from nanoparticles and clusters.

Advanced Materials Modelling for Structures

Advanced Materials Modelling for Structures Book
Author : Holm Altenbach,Serge Kruch
Publisher : Springer Science & Business Media
Release : 2013-02-05
ISBN : 3642351670
Language : En, Es, Fr & De

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Book Description :

This volume presents the major outcome of the IUTAM symposium on “Advanced Materials Modeling for Structures”. It discusses advances in high temperature materials research, and also to provides a discussion the new horizon of this fundamental field of applied mechanics. The topics cover a large domain of research but place a particular emphasis on multiscale approaches at several length scales applied to non linear and heterogeneous materials. Discussions of new approaches are emphasised from various related disciplines, including metal physics, micromechanics, mathematical and computational mechanics.

Data Technology in Materials Modelling

Data Technology in Materials Modelling Book
Author : Martin Thomas Horsch,Silvia Chiacchiera,Welchy Leite Cavalcanti,Björn Schembera
Publisher : Springer Nature
Release : 2021-03-19
ISBN : 3030685977
Language : En, Es, Fr & De

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Book Description :

This open access book discusses advances in semantic interoperability for materials modelling, aiming at integrating data obtained from different methods and sources into common frameworks, and facilitating the development of platforms where simulation services in computational molecular engineering can be provided as well as coupled and linked to each other in a standardized and reliable way. The Virtual Materials Marketplace (VIMMP), which is open to all service providers and clients, provides a framework for offering and accessing such services, assisting the uptake of novel modelling and simulation approaches by SMEs, consultants, and industrial R&D end users. Semantic assets presented include the EngMeta metadata schema for research data infrastructures in simulation-based engineering and the collection of ontologies from VIMMP, including the ontology for simulation, modelling, and optimization (OSMO) and the VIMMP software ontology (VISO).

Fundamentals of Materials Modelling for Metals Processing Technologies

Fundamentals of Materials Modelling for Metals Processing Technologies Book
Author : Jianguo Lin
Publisher : World Scientific Publishing Company
Release : 2015-03-24
ISBN : 1783264993
Language : En, Es, Fr & De

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Book Description :

This book provides a comprehensive introduction to the unique theory developed over years of research on materials and process modelling and its application in metal forming technologies. It starts with the introduction of fundamental theories on the mechanics of materials, computational mechanics and the formulation of unified constitutive equations. Particular attention is paid to elastic–plastic formulations for cold metal forming and unified elastic–viscoplastic constitutive equations for warm/hot metals processing. Damage in metal forming and numerical techniques to solve and determine the unified constitutive equations are also detailed. Examples are given for the application of the unified theories to solve practical problems encountered in metal forming processes. This is particularly useful to predict microstructure evolution in warm/hot metal forming processes. Crystal plasticity theories and modelling techniques with their applications in micro-forming are also introduced in the book. The book is self-contained and unified in presentation. The explanations are highlighted to capture the interest of curious readers and complete enough to provide the necessary background material to further explore/develop new theories and applications.

Advanced Materials Modelling for Mechanical Medical and Biological Applications

Advanced Materials Modelling for Mechanical  Medical and Biological Applications Book
Author : Holm Altenbach
Publisher : Springer Nature
Release : 2022-06-27
ISBN : 3030817059
Language : En, Es, Fr & De

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Book Description :

Download Advanced Materials Modelling for Mechanical Medical and Biological Applications book written by Holm Altenbach, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Integral Materials Modeling

Integral Materials Modeling Book
Author : G. Gottstein
Publisher : John Wiley & Sons
Release : 2007-04-09
ISBN : 3527317112
Language : En, Es, Fr & De

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Book Description :

Adopting a holistic approach to materials simulation, this monograph covers four very important structural materials: aluminum, carbon steels, superalloys, and plastics. Following an introduction to the concept of integral modeling, the book goes on to cover a wide range of production steps and usage, including melt flow and solidification behavior, coating, shaping, thermal treatment, deep drawing, hardness and ductility, damage initiation, and deformation behavior.

Multiscale Materials Modeling

Multiscale Materials Modeling Book
Author : Siegfried Schmauder,Immanuel Schäfer
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2016-08-22
ISBN : 3110412454
Language : En, Es, Fr & De

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Book Description :

This book presents current spatial and temporal multiscaling approaches of materials modeling. Recent results demonstrate the deduction of macroscopic properties at the device and component level by simulating structures and materials sequentially on atomic, micro- and mesostructural scales. The book covers precipitation strengthening and fracture processes in metallic alloys, materials that exhibit ferroelectric and magnetoelectric properties as well as biological, metal-ceramic and polymer composites. The progress which has been achieved documents the current state of art in multiscale materials modelling (MMM) on the route to full multi-scaling. Contents: Part I: Multi-time-scale and multi-length-scale simulations of precipitation and strengthening effects Linking nanoscale and macroscale Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, Molecular Dynamics, and Phase-Field simulations Multiscale modeling predictions of age hardening curves in Al-Cu alloys Kinetic Monte Carlo modeling of shear-coupled motion of grain boundaries Product Properties of a two-phase magneto-electric composite Part II: Multiscale simulations of plastic deformation and fracture Niobium/alumina bicrystal interface fracture Atomistically informed crystal plasticity model for body-centred cubic iron FE2AT ・ finite element informed atomistic simulations Multiscale fatigue crack growth modeling for welded stiffened panels Molecular dynamics study on low temperature brittleness in tungsten single crystals Multi scale cellular automata and finite element based model for cold deformation and annealing of a ferritic-pearlitic microstructure Multiscale simulation of the mechanical behavior of nanoparticle-modified polyamide composites Part III: Multiscale simulations of biological and bio-inspired materials, bio-sensors and composites Multiscale Modeling of Nano-Biosensors Finite strain compressive behaviour of CNT/epoxy nanocomposites Peptide・zinc oxide interaction

Uncertainty Quantification in Multiscale Materials Modeling

Uncertainty Quantification in Multiscale Materials Modeling Book
Author : Yan Wang,David L. McDowell
Publisher : Woodhead Publishing Limited
Release : 2020-03-12
ISBN : 0081029411
Language : En, Es, Fr & De

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Book Description :

Uncertainty Quantification in Multiscale Materials Modeling provides a complete overview of uncertainty quantification (UQ) in computational materials science. It provides practical tools and methods along with examples of their application to problems in materials modeling. UQ methods are applied to various multiscale models ranging from the nanoscale to macroscale. This book presents a thorough synthesis of the state-of-the-art in UQ methods for materials modeling, including Bayesian inference, surrogate modeling, random fields, interval analysis, and sensitivity analysis, providing insight into the unique characteristics of models framed at each scale, as well as common issues in modeling across scales.

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering ICME 2017

Proceedings of the 4th World Congress on Integrated Computational Materials Engineering  ICME 2017  Book
Author : Paul Mason,Charles R. Fisher,Ryan Glamm,Michele V. Manuel,Georg J. Schmitz,Amarendra K. Singh,Alejandro Strachan
Publisher : Springer
Release : 2017-04-27
ISBN : 3319578642
Language : En, Es, Fr & De

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Book Description :

This book represents a collection of papers presented at the 4th World Congress on Integrated Computational Materials Engineering (ICME 2017), a specialty conference organized by The Minerals, Metals & Materials Society (TMS). The contributions offer topics relevant to the global advancement of ICME as an engineering discipline. Topics covered include the following:ICME Success Stories and ApplicationsVerification, Validation, Uncertainty Quantification Issues and Gap AnalysisIntegration Framework and UsageAdditive ManufacturingPhase Field ModelingMicrostructure EvolutionICME Design Tools and ApplicationMechanical Performance Using Multi-Scale Modeling

Computer Simulation of Porous Materials

Computer Simulation of Porous Materials Book
Author : Kim Jelfs
Publisher : Royal Society of Chemistry
Release : 2021-08-31
ISBN : 1839163321
Language : En, Es, Fr & De

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Book Description :

Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. The book covers the full breadth of (micro)porous materials, from inorganic (zeolites), to organic including porous polymers and porous molecular materials, and hybrid materials (metal-organic frameworks). Through chapters focusing on techniques for specific types of applications and properties, the book outlines the challenges and opportunities in applying approaches and methods to different classes of systems, including a discussion of high-throughput screening. There is a strong forward-looking focus, to identify where increased computer power or artificial intelligence techniques such as machine learning have the potential to open up new avenues of research. Edited by a world leader in the field, this title provides a valuable resource for not only computational researchers, but also gives an overview for experimental researchers. It is presented at a level accessible to advanced undergraduates, postgraduates and researchers wishing to learn more about the topic.

Carbon Based Smart Materials

Carbon Based Smart Materials Book
Author : Constantinos A. Charitidis,Elias P. Koumoulos,Dimitrios A. Dragatogiannis
Publisher : Walter de Gruyter GmbH & Co KG
Release : 2020-04-20
ISBN : 3110477750
Language : En, Es, Fr & De

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Book Description :

Presents technologies and key concepts to produce suitable smart materials and intelligent structures for sensing, information and communication technology, biomedical applications (drug delivery, hyperthermia therapy), self-healing, flexible memories and construction technologies. Novel developments of environmental friendly, cost-effective and scalable production processes are discussed by experts in the field.

Flow Induced Alignment in Composite Materials

Flow Induced Alignment in Composite Materials Book
Author : T D Papthanasiou,D C Guell
Publisher : Elsevier
Release : 1997-10-21
ISBN : 1855737477
Language : En, Es, Fr & De

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Book Description :

The purpose of aligning short fibres in a fibre-reinforced material is to improve the mechanical properties of the resulting composite. Aligning the fibres, generally in a preferred direction, allows them to contribute as much as possible to reinforcing the material. Flow induced alignment in composite materials details, in a single volume, the science, processing, applications, characterisation and properties of composite materials reinforced with short fibres that have been orientated in a preferred direction by flows arising during processing. The topics discussed include fibre alignment and materials rheology; processes that can produce fibre alignment in polymeric, liquid crystal polymeric, and metallic composites; materials characterization and mechanical properties; and modelling of processes and materials properties. The technology of fibre-reinforced composites is continually evolving and this book provides timely and much needed information about this important class of engineering materials. The bookis an essential reference work for industry and an indispensable guide for the research worker, advanced student and materials scientist.

Insights and Innovations in Structural Engineering Mechanics and Computation

Insights and Innovations in Structural Engineering  Mechanics and Computation Book
Author : Alphose Zingoni
Publisher : CRC Press
Release : 2016-11-25
ISBN : 1317280636
Language : En, Es, Fr & De

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Book Description :

Insights and Innovations in Structural Engineering, Mechanics and Computation comprises 360 papers that were presented at the Sixth International Conference on Structural Engineering, Mechanics and Computation (SEMC 2016, Cape Town, South Africa, 5-7 September 2016). The papers reflect the broad scope of the SEMC conferences, and cover a wide range of engineering structures (buildings, bridges, towers, roofs, foundations, offshore structures, tunnels, dams, vessels, vehicles and machinery) and engineering materials (steel, aluminium, concrete, masonry, timber, glass, polymers, composites, laminates, smart materials).

Multiscale Modeling and Analysis for Materials Simulation

Multiscale Modeling and Analysis for Materials Simulation Book
Author : Weizhu Bao,Qiang Du
Publisher : World Scientific
Release : 2012
ISBN : 9814360902
Language : En, Es, Fr & De

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Book Description :

The Institute for Mathematical Sciences at the National University of Singapore hosted a two-month research program on OC Mathematical Theory and Numerical Methods for Computational Materials Simulation and DesignOCO from 1 July to 31 August 2009. As an important part of the program, tutorials and special lectures were given by leading experts in the fields for participating graduate students and junior researchers. This invaluable volume collects four expanded lecture notes with self-contained tutorials. They cover a number of aspects on multiscale modeling, analysis and simulations for problems arising from materials science including some critical components in computational prediction of materials properties such as the multiscale properties of complex materials, properties of defects, interfaces and material microstructures under different conditions, critical issues in developing efficient numerical methods and analytic frameworks for complex and multiscale materials models. This volume serves to inspire graduate students and researchers who choose to embark into original research work in these fields.

Data Analytics and Management in Data Intensive Domains

Data Analytics and Management in Data Intensive Domains Book
Author : Alexander Sychev,Sergey Makhortov,Bernhard Thalheim
Publisher : Springer Nature
Release : 2021-07-15
ISBN : 3030812006
Language : En, Es, Fr & De

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Book Description :

This book constitutes the post-conference proceedings of the 22nd International Conference on Data Analytics and Management in Data Intensive Domains, DAMDID/RCDL 2020, held in Voronezh, Russia, in October 2020*. The 16 revised full papers and two keynotes were carefully reviewed and selected from 60 submissions. The papers are organized in the following topical sections: data Integration, conceptual models and ontologies; data management in semantic web; data analysis in medicine; data analysis in astronomy; information extraction from text. * The conference was held virtually due to the COVID-19 pandemic.

Soft Computing in the Design and Manufacturing of Composite Materials

Soft Computing in the Design and Manufacturing of Composite Materials Book
Author : Dragan Aleksendric,Pierpaolo Carlone
Publisher : Woodhead Publishing
Release : 2015-01-23
ISBN : 1782421807
Language : En, Es, Fr & De

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Book Description :

Due to problems associated with the design and manufacturing of composite materials, there is a need to introduce computational and intelligent systems engineering methodology in materials engineering. Soft Computing in the Design and Manufacturing of Composite Material offers an intelligent approach to advance material engineering, and significantly improves the process of designing and manufacturing a new material. This title includes chapters covering topics such as soft computing techniques, composite materials engineering, design and manufacturing of composite materials, numerical modeling, prediction, and optimization of the composite materials performance, development of the hybrid models, and control of the composite material performance. Introduction of soft computing in the composite materials engineering Includes accurate and detailed analysis of the current state of the art in the field Development of the intelligent models for design and manufacturing of composite material Details composite material performance prediction Optimization of the manufacturing process of composite materials