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Forcefields for Atomistic-Scale Simulations: Materials and Applications
Akarsh Verma
(Ilustrado por)
·
Sanjay Mavinkere Rangappa
(Ilustrado por)
·
Shigenobu Ogata
(Ilustrado por)
·
Springer
· Tapa Dura
Forcefields for Atomistic-Scale Simulations: Materials and Applications - Verma, Akarsh ; Mavinkere Rangappa, Sanjay ; Ogata, Shigenobu
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Reseña del libro "Forcefields for Atomistic-Scale Simulations: Materials and Applications"
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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