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Forcefields for Atomistic-Scale Simulations: Materials and Applications

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Forcefields for Atomistic-Scale Simulations: Materials and Applications/ edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin.
other author:	Verma, Akarsh.
Description:	VI, 398 p. 115 illus., 86 illus. in color.online resource. :
Contained By:	Springer Nature eBook
Subject:	Materials science—Data processing. -
Online resource:	https://doi.org/10.1007/978-981-19-3092-8
ISBN:	9789811930928

Forcefields for Atomistic-Scale Simulations: Materials and Applications
Forcefields for Atomistic-Scale Simulations: Materials and Applications[electronic resource] /edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin. - 1st ed. 2022. - VI, 398 p. 115 illus., 86 illus. in color.online resource. - Lecture Notes in Applied and Computational Mechanics,991860-0816 ;. - Lecture Notes in Applied and Computational Mechanics,75.

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.

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.

ISBN: 9789811930928

Standard No.: 10.1007/978-981-19-3092-8doiSubjects--Topical Terms:

1387740
Materials science—Data processing.

LC Class. No.: TA404.23

Dewey Class. No.: 620.100285

Forcefields for Atomistic-Scale Simulations: Materials and Applications
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