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[null,"1.","Record Nr.",null,"UNINA9910588596303321"]
[null,null,"Titolo",null,"Forcefields for Atomistic-Scale Simulations: Materials and Applications / / edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin"]
[null,null,"Pubbl/distr/stampa",null,"Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022"]
[null,null,"ISBN",null,"981-19-3092-9"]
[null,null,"Edizione",null,"[1st ed. 2022.]"]
[null,null,"Descrizione fisica",null,"1 online resource (395 pages)"]
[null,null,"Collana",null,"Lecture Notes in Applied and Computational Mechanics, , 1860-0816 ; ; 99"]
[null,null,"Disciplina",null,"531.6"]
[null,null,"Soggetti",null,"Materials science - Data processing"]
[{"$nulls":4},"Molecular dynamics"]
[{"$nulls":4},"Nanotechnology"]
[{"$nulls":4},"Atomic structure"]
[{"$nulls":4},"Molecular structure"]
[{"$nulls":4},"Microclusters"]
[{"$nulls":4},"Atomistic Models"]
[{"$nulls":4},"Molecular Dynamics"]
[{"$nulls":4},"Atomic and Molecular Structure and Properties"]
[{"$nulls":4},"Atomic and Molecular Clusters"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Nota di bibliografia","Includes bibliographical references and index."]
[null,null,"Nota di contenuto",null,"1. Introduction to Forcefields -- 2. Forcefields for characterization of metals/metal alloys -- 3. Forcefields for characterization of nuclear materials -- 4. Forcefields and Atomistic insights to study high entropy alloys -- 5. Coarse-grained forcefields for anisotropically interacting particles -- 6. Forcefields for 2D nanomaterials (Graphene and h-BN) and the universal solvent “water” -- 7. Reactive forcefield (ReaxFF) for the combustion application -- 8. Reactive forcefield (ReaxFF) for the 2D nanomaterials synthesis -- 9. Forcefields and Modelling of Polymer Coatings and nanocomposites -- 10. Accelerated reactive forcefields for studying nanomaterials and polymers."]
[null,null,null,"Sommario/riassunto","This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various "]
[{"$nulls":4},"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."]