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Forcefields for Atomistic-Scale Simulations: Materials and Applications

Forcefields for Atomistic-Scale Simulations: Materials and Applications

Hardcover

Series: Lecture Notes in Applied and Computational Mechanics, Book 99

Technology & EngineeringChemistry

ISBN10: 9811930910
ISBN13: 9789811930911
Publisher: Springer Nature
Published: Aug 20 2022
Pages: 398
Weight: 1.64
Height: 0.94 Width: 6.14 Depth: 9.21
Language: English
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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