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Multiscale modeling and analysis for materials simulation [[electronic resource] /] / editors, Weizhu Bao, Qiang Du
| Multiscale modeling and analysis for materials simulation [[electronic resource] /] / editors, Weizhu Bao, Qiang Du |
| Pubbl/distr/stampa | Singapore ; ; Hackensack, N.J., : World Scientific, c2012 |
| Descrizione fisica | 1 online resource (285 p.) |
| Disciplina |
620.11015118
620.1127 |
| Altri autori (Persone) |
BaoWeizhu
DuQiang |
| Collana | Lecture notes series / Institute for Mathematical Sciences, National University of Singapore |
| Soggetto topico |
Multiscale modeling - Computer simulation
Materials - Analysis - Mathematical models Materials - Analysis - Computer simulation |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-37645-7
9786613555427 981-4360-90-2 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
CONTENTS; Foreword; Preface; Dislocation Dynamics in 2 + Dimensions: Slip Planes, Thin Films, and Grain Boundaries Yang Xiang, Siu Sin Quek, Yong-Wei Zhang, Adele T. Lim and David J. Srolovitz; Contents; 1. Introduction; 2. Peierls-Nabarro models for dislocations; 2.1. Classical Peierls-Nabarro model for straight dislocations; 2.2. Generalizations of Peierls-Nabarro model for straight dislocations; 2.3. Generalizations to curved dislocations; 2.4. From the Peierls-Nabarro model to a continuum dislocation dynamics model in a slip plane
2.5. Conclusions of Peierls-Nabarro models of dislocations3. Dislocation dynamics in thin films; 3.1. Dislocation dynamics simulation in thin film: A brief review; 3.1.1. Front-tracking methods; Two dimensions; Three dimensions; 3.1.2. Phase field method; 3.1.3. Level set method; 3.2. Level set simulation of dislocation dynamics in thin films; 3.2.1. Dislocation half-loop in a stationary film; 3.2.2. Pair of coplanar identical half-loops in a stationary film; 3.2.3. Non-identical coplanar half-loops in a stationary film 3.2.4. Dislocation half-loops on intersecting glide planes in a stationary film3.2.5. Dislocation evolution during single-layer film growth; 3.2.6. Dislocation evolution during bilayer film growth; 3.3. Conclusions of dislocation dynamics in thin films; 4. Dislocation models for low-angle grain boundary migration; 4.1. Introduction to dislocation models for LAGBs; 4.2. Simulation model and method for LAGB migration; 4.2.1. 2-d dislocation dynamics for LAGB migration; 4.2.2. 3-d dislocation dynamics for LAGB migration; 4.3. 2-d dislocation dynamics simulation results 4.3.1. One set of intrinsic dislocations4.3.2. One set of intrinsic dislocations + extrinsic dislocations; 4.3.3. Two sets of intrinsic dislocations; 4.4. 3-d dislocation dynamics simulation results; 4.4.1. Two sets of intersecting intrinsic dislocations; 4.4.2. Mixed LAGB + extrinsic dislocations; 4.5. Conclusions of dislocation models for LAGB migration; 5. Conclusions; Acknowledgments; References; Introduction to Molecular Dynamics Simulations Xiantao Li; Contents; 1. Introduction; 2. Statistical mechanics basis; 2.1. Micro-canonical (NVE) ensemble; 2.2. Canonical (NVT) ensemble 2.3. Modeling canonical ensemble2.4. Linear response and dynamic quantities; 3. Numerical methods for molecular dynamics simulation; 3.1. Non-dimensionalization; 3.2. Time integration for Hamiltonian systems; 3.3. Force calculation; 3.4. Boundary conditions; 4. Non-equilibrium molecular dynamics models; 4.1. Boundary condition for non-equilibrium molecular dynamics; 4.1.1. Exact boundary condition; 4.2. Exact boundary condition; 4.2.1. Approximate boundary condition; 4.2.2. Finite temperature boundary condition; 4.3. Coarse-grained molecular dynamics model; 4.4. A one-dimensional example 5. Summary and discussions |
| Record Nr. | UNINA-9910457279603321 |
| Singapore ; ; Hackensack, N.J., : World Scientific, c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Multiscale modeling and analysis for materials simulation [[electronic resource] /] / editors, Weizhu Bao, Qiang Du
| Multiscale modeling and analysis for materials simulation [[electronic resource] /] / editors, Weizhu Bao, Qiang Du |
| Pubbl/distr/stampa | Singapore ; ; Hackensack, N.J., : World Scientific, c2012 |
| Descrizione fisica | 1 online resource (285 p.) |
| Disciplina |
620.11015118
620.1127 |
| Altri autori (Persone) |
BaoWeizhu
DuQiang |
| Collana | Lecture notes series / Institute for Mathematical Sciences, National University of Singapore |
| Soggetto topico |
Multiscale modeling - Computer simulation
Materials - Analysis - Mathematical models Materials - Analysis - Computer simulation |
| ISBN |
1-280-37645-7
9786613555427 981-4360-90-2 |
| Classificazione |
SK 920
SK 950 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
CONTENTS; Foreword; Preface; Dislocation Dynamics in 2 + Dimensions: Slip Planes, Thin Films, and Grain Boundaries Yang Xiang, Siu Sin Quek, Yong-Wei Zhang, Adele T. Lim and David J. Srolovitz; Contents; 1. Introduction; 2. Peierls-Nabarro models for dislocations; 2.1. Classical Peierls-Nabarro model for straight dislocations; 2.2. Generalizations of Peierls-Nabarro model for straight dislocations; 2.3. Generalizations to curved dislocations; 2.4. From the Peierls-Nabarro model to a continuum dislocation dynamics model in a slip plane
2.5. Conclusions of Peierls-Nabarro models of dislocations3. Dislocation dynamics in thin films; 3.1. Dislocation dynamics simulation in thin film: A brief review; 3.1.1. Front-tracking methods; Two dimensions; Three dimensions; 3.1.2. Phase field method; 3.1.3. Level set method; 3.2. Level set simulation of dislocation dynamics in thin films; 3.2.1. Dislocation half-loop in a stationary film; 3.2.2. Pair of coplanar identical half-loops in a stationary film; 3.2.3. Non-identical coplanar half-loops in a stationary film 3.2.4. Dislocation half-loops on intersecting glide planes in a stationary film3.2.5. Dislocation evolution during single-layer film growth; 3.2.6. Dislocation evolution during bilayer film growth; 3.3. Conclusions of dislocation dynamics in thin films; 4. Dislocation models for low-angle grain boundary migration; 4.1. Introduction to dislocation models for LAGBs; 4.2. Simulation model and method for LAGB migration; 4.2.1. 2-d dislocation dynamics for LAGB migration; 4.2.2. 3-d dislocation dynamics for LAGB migration; 4.3. 2-d dislocation dynamics simulation results 4.3.1. One set of intrinsic dislocations4.3.2. One set of intrinsic dislocations + extrinsic dislocations; 4.3.3. Two sets of intrinsic dislocations; 4.4. 3-d dislocation dynamics simulation results; 4.4.1. Two sets of intersecting intrinsic dislocations; 4.4.2. Mixed LAGB + extrinsic dislocations; 4.5. Conclusions of dislocation models for LAGB migration; 5. Conclusions; Acknowledgments; References; Introduction to Molecular Dynamics Simulations Xiantao Li; Contents; 1. Introduction; 2. Statistical mechanics basis; 2.1. Micro-canonical (NVE) ensemble; 2.2. Canonical (NVT) ensemble 2.3. Modeling canonical ensemble2.4. Linear response and dynamic quantities; 3. Numerical methods for molecular dynamics simulation; 3.1. Non-dimensionalization; 3.2. Time integration for Hamiltonian systems; 3.3. Force calculation; 3.4. Boundary conditions; 4. Non-equilibrium molecular dynamics models; 4.1. Boundary condition for non-equilibrium molecular dynamics; 4.1.1. Exact boundary condition; 4.2. Exact boundary condition; 4.2.1. Approximate boundary condition; 4.2.2. Finite temperature boundary condition; 4.3. Coarse-grained molecular dynamics model; 4.4. A one-dimensional example 5. Summary and discussions |
| Record Nr. | UNINA-9910778818003321 |
| Singapore ; ; Hackensack, N.J., : World Scientific, c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Multiscale modeling and analysis for materials simulation / / editors, Weizhu Bao, Qiang Du
| Multiscale modeling and analysis for materials simulation / / editors, Weizhu Bao, Qiang Du |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Singapore ; ; Hackensack, N.J., : World Scientific, c2012 |
| Descrizione fisica | 1 online resource (285 p.) |
| Disciplina |
620.11015118
620.1127 |
| Altri autori (Persone) |
BaoWeizhu
DuQiang |
| Collana | Lecture notes series / Institute for Mathematical Sciences, National University of Singapore |
| Soggetto topico |
Multiscale modeling - Computer simulation
Materials - Analysis - Mathematical models Materials - Analysis - Computer simulation |
| ISBN |
1-280-37645-7
9786613555427 981-4360-90-2 |
| Classificazione |
SK 920
SK 950 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
CONTENTS; Foreword; Preface; Dislocation Dynamics in 2 + Dimensions: Slip Planes, Thin Films, and Grain Boundaries Yang Xiang, Siu Sin Quek, Yong-Wei Zhang, Adele T. Lim and David J. Srolovitz; Contents; 1. Introduction; 2. Peierls-Nabarro models for dislocations; 2.1. Classical Peierls-Nabarro model for straight dislocations; 2.2. Generalizations of Peierls-Nabarro model for straight dislocations; 2.3. Generalizations to curved dislocations; 2.4. From the Peierls-Nabarro model to a continuum dislocation dynamics model in a slip plane
2.5. Conclusions of Peierls-Nabarro models of dislocations3. Dislocation dynamics in thin films; 3.1. Dislocation dynamics simulation in thin film: A brief review; 3.1.1. Front-tracking methods; Two dimensions; Three dimensions; 3.1.2. Phase field method; 3.1.3. Level set method; 3.2. Level set simulation of dislocation dynamics in thin films; 3.2.1. Dislocation half-loop in a stationary film; 3.2.2. Pair of coplanar identical half-loops in a stationary film; 3.2.3. Non-identical coplanar half-loops in a stationary film 3.2.4. Dislocation half-loops on intersecting glide planes in a stationary film3.2.5. Dislocation evolution during single-layer film growth; 3.2.6. Dislocation evolution during bilayer film growth; 3.3. Conclusions of dislocation dynamics in thin films; 4. Dislocation models for low-angle grain boundary migration; 4.1. Introduction to dislocation models for LAGBs; 4.2. Simulation model and method for LAGB migration; 4.2.1. 2-d dislocation dynamics for LAGB migration; 4.2.2. 3-d dislocation dynamics for LAGB migration; 4.3. 2-d dislocation dynamics simulation results 4.3.1. One set of intrinsic dislocations4.3.2. One set of intrinsic dislocations + extrinsic dislocations; 4.3.3. Two sets of intrinsic dislocations; 4.4. 3-d dislocation dynamics simulation results; 4.4.1. Two sets of intersecting intrinsic dislocations; 4.4.2. Mixed LAGB + extrinsic dislocations; 4.5. Conclusions of dislocation models for LAGB migration; 5. Conclusions; Acknowledgments; References; Introduction to Molecular Dynamics Simulations Xiantao Li; Contents; 1. Introduction; 2. Statistical mechanics basis; 2.1. Micro-canonical (NVE) ensemble; 2.2. Canonical (NVT) ensemble 2.3. Modeling canonical ensemble2.4. Linear response and dynamic quantities; 3. Numerical methods for molecular dynamics simulation; 3.1. Non-dimensionalization; 3.2. Time integration for Hamiltonian systems; 3.3. Force calculation; 3.4. Boundary conditions; 4. Non-equilibrium molecular dynamics models; 4.1. Boundary condition for non-equilibrium molecular dynamics; 4.1.1. Exact boundary condition; 4.2. Exact boundary condition; 4.2.1. Approximate boundary condition; 4.2.2. Finite temperature boundary condition; 4.3. Coarse-grained molecular dynamics model; 4.4. A one-dimensional example 5. Summary and discussions |
| Record Nr. | UNINA-9910815510103321 |
| Singapore ; ; Hackensack, N.J., : World Scientific, c2012 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
