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Table of Contents
1 Cover
4 Preface
6 1 Introduction to Multiscale Modelling and Optimization 1.1 Multiscale Modelling 1.2 Optimization 1.3 Contents of the Book References
7 2 Modelling of Phenomena 2.1 Physical Phenomena in Nanoscale 2.2 Physical Phenomena in Microscale References
8 3 Computational Methods 3.1 Computational Methods for Continuum 3.2 Computational Methods for Nano and Micro 3.3 Methods of Optimization References
9 4 Preparation of Material Representation 4.1 Generation of Nanostructures 4.2 Microstructure References
10 5 Examples of Multiscale Simulations 5.1 Classification of Multiscale Modelling Methods 5.2 Case Studies References
11 6 Optimization and Identification in Multiscale Modelling 6.1 Multiscale Optimization 6.2 Identification in Multiscale Modelling References
12 7 Computer Implementation Issues 7.1 Interactions Between the Analysis and Optimization Solutions 7.2 Visualization of Large Data Sets References
14 Index
List of Tables
1 Chapter 2Table 2.1 Computational times of the SLMoS2 MD simulation with different at...Table 2.2 Chemical compositions of investigated steels.Table 2.3 Coefficients in Eq. (2.60) obtained from the inverse analysis for... Table 2.4 Coefficients in Eq. (2.61) obtained from the inverse analysis for ...Table 2.5 Coefficients in Eq. (2.62) obtained from the inverse analysis for...Table 2.6 Coefficients in Eqs. (2.63)–(2.68) obtained from the inverse anal...Table 2.7 Coefficients in Eq. (2.60) obtained from the inverse analysis for...Table 2.8 Coefficients in Eqs. (2.69) and (2.71) describing the kinetics of...Table 2.9 Coefficients in Eq. (2.72) describing the recrystallized grain si...Table 2.10 Coefficients in Eq. (2.16) describing the critical strain for dy...Table 2.11 Coefficients in Eq. (2.74) describing kinetics of dynamic recrys...Table 2.12 Coefficients in Eq. (2.75) describing a grain size after dynamic...Table 2.13 Coefficients in Eq. (2.76) describing kinetics of metadynamic re...Table 2.14 Coefficients in Eq. (2.77) describing a grain size after metadyn...Table 2.15 Coefficients in Eq. (2.78) describing a grain growth.Table 2.16 Coefficients in Eq. (2.79) describing a grain growth.Table 2.17 Equations describing recrystallization and precipitation times f...Table 2.18 Additional equations in the model.Table 2.19 Equations describing parameters in model B.Table 2.20 Coefficients in the phase transformation model determined using ...
2 Chapter 3Table 3.1 Coefficient θ and matrices
3 Chapter 4Table 4.1 Number of boundary elements of the continuum models. The elastic ...
4 Chapter 5Table 5.1 A number of boundary elements of the continuum models.Table 5.2 Displacements of the selected atoms.
5 Chapter 6Table 6.1 Parameters of the Murrell‐Mottram potential for Al.Table 6.2 Lowest energies of the Morse and Murrell‐Mottram clusters.Table 6.3 Constraints imposed
