Forcefields for Atomistic-Scale Simulations: Materials and Applications
Series: Lecture Notes in Applied and Computational Mechanics; 99;
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Product details:
- Edition number 1st ed. 2022
- Publisher Springer Nature Singapore
- Date of Publication 21 August 2023
- Number of Volumes 1 pieces, Book
- ISBN 9789811930942
- Binding Paperback
- See also 9789811930911
- No. of pages398 pages
- Size 235x155 mm
- Weight 617 g
- Language English
- Illustrations VI, 398 p. 115 illus., 86 illus. in color. Illustrations, black & white 480
Categories
Long description:
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 nuclear materials and nanomaterials) and applications. This book gives many help to students and researchers who are studying the forcefield potentials and introduces various applications of atomistic-scale simulations to professors who are researching molecular dynamics.
MoreTable of Contents:
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.
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