Forcefields for Atomistic-Scale Simulations: Materials and Applications [E-Book] / edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin.
This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various materials (such as n...
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Full text |
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Personal Name(s): | Mavinkere Rangappa, Sanjay, editor |
Ogata, Shigenobu, editor / Siengchin, Suchart, editor / Verma, Akarsh, editor | |
Edition: |
1st edition 2022. |
Imprint: |
Singapore :
Springer,
2022
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Physical Description: |
VI, 398 pages 115 illustrations, 86 illustrations in color (online resource) |
Note: |
englisch |
ISBN: |
9789811930928 |
DOI: |
10.1007/978-981-19-3092-8 |
Series Title: |
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Lecture Notes in Applied and Computational Mechanics ;
99 |
Subject (LOC): |
- 1. Introduction to Forcefields
- 2. Forcefields for characterization of metals/metal alloys
- 3. Forcefields for characterization of nuclear materials
- 4. Forcefields and Atomistic insights to study high entropy alloys
- 5. Coarse-grained forcefields for anisotropically interacting particles
- 6. Forcefields for 2D nanomaterials (Graphene and h-BN) and the universal solvent "water"
- 7. Reactive forcefield (ReaxFF) for the combustion application
- 8. Reactive forcefield (ReaxFF) for the 2D nanomaterials synthesis
- 9. Forcefields and Modelling of Polymer Coatings and nanocomposites
- 10. Accelerated reactive forcefields for studying nanomaterials and polymers.