Forcefields for Atomistic-Scale Simulations : Materials and Applications - Akarsh Verma

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Forcefields for Atomistic-Scale Simulations

Materials and Applications

By: Akarsh Verma (Editor), Suchart Siengchin (Editor), Shigenobu Ogata (Editor), Sanjay Mavinkere Rangappa (Editor)

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Hardcover | 20 August 2022

At a Glance

Hardcover
406 Pages

Dimensions(cm)
23.5 x 15.5 x 2.39

Hardcover

$279.00

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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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