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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 and for various integration s...

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 on design variables.Table 6.4 Parameters of optimization algorithms.Table 6.5 Results of optimization.Table 6.6 Values of design variables.Table 6.7 Results of material parameters identification.Table 6.8 The material properties for the microscale.Table 6.9 The evolutionary algorithm parameters.Table 6.10 The results of identification.Table 6.11 Results of identification for Variant 1.Table 6.12 Numerical results of identification for Variants 2–5.

6 Chapter 7Table 7.1 A number of points for spheres in Figure 7.9.Table 7.2 Result of tests for a gain of memory during nanostructure visuali...Table 7.3 FPS obtained for various data sizes (less than two million partic...Table 7.4 FPS obtained for various data sizes (large sets with more than tw...Table 7.5 Computing time depending on the number of threads.Table 7.6 Profiling of the whole algorithm for the subsequent tasks of the ...

Multiscale Modelling and Optimisation of Materials and Structures

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