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Record Nr. |
UNINA9910588596303321 |
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Titolo |
Forcefields for Atomistic-Scale Simulations: Materials and Applications / / edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin |
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Pubbl/distr/stampa |
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Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
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ISBN |
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Edizione |
[1st ed. 2022.] |
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Descrizione fisica |
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1 online resource (395 pages) |
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Collana |
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Lecture Notes in Applied and Computational Mechanics, , 1860-0816 ; ; 99 |
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Disciplina |
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Soggetti |
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Materials science - Data processing |
Molecular dynamics |
Nanotechnology |
Atomic structure |
Molecular structure |
Microclusters |
Atomistic Models |
Molecular Dynamics |
Atomic and Molecular Structure and Properties |
Atomic and Molecular Clusters |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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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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Sommario/riassunto |
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This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers |
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