Forcefields for Atomistic-Scale Simulations: Materials and Applications / / edited by Akarsh Verma, Sanjay Mavinkere Rangappa, Shigenobu Ogata, Suchart Siengchin |
Edizione | [1st ed. 2022.] |
Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 |
Descrizione fisica | 1 online resource (395 pages) |
Disciplina | 531.6 |
Collana | Lecture Notes in Applied and Computational Mechanics |
Soggetto topico |
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 |
ISBN | 981-19-3092-9 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | 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. |
Record Nr. | UNINA-9910588596303321 |
Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2022 | ||
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Lo trovi qui: Univ. Federico II | ||
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Water : Basic Science / / by Sheng Meng, Enge Wang |
Autore | Meng Sheng |
Edizione | [1st ed. 2023.] |
Pubbl/distr/stampa | Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 |
Descrizione fisica | 1 online resource (338 pages) |
Disciplina | 551.48 |
Soggetto topico |
Atomic structure
Molecular structure Surfaces (Physics) Microclusters Condensed matter Quantum physics Quantum statistics Atomic and Molecular Structure and Properties Surface and Interface and Thin Film Atomic and Molecular Clusters Phase Transition and Critical Phenomena Atom and Molecule Optics and Interferometry Quantum Gases and Condensates |
ISBN | 981-9915-41-4 |
Formato | Materiale a stampa ![]() |
Livello bibliografico | Monografia |
Lingua di pubblicazione | eng |
Nota di contenuto | Chapter 1 Introduction: understanding the structure and function of water on the molecular scale -- Chapter 2 Theoretical methods -- Chapter 3 Experimental methods -- Chapter 4 Water molecules, small clusters and bulk water -- Chapter 5 Experimental study of the interactions between water and surface -- Chapter 6 Adsorption of water on Pt (111) surface -- Chapter 7 General law of water adsorption on metal surfaces -- Chapter 8 Adsorption of water on non-metallic surfaces -- Chapter 9 Macroscopic and microscopic surface wetting -- Chapter 10 Hydrated ions on the surface -- Chapter 11 Microscopic processes of salt dissolution and nucleation -- Chapter XII Surface of ice -- Chapter 13 Quantum behaviors of H in water -- Chapter 14 Phase transitions in confined water. . |
Record Nr. | UNINA-9910731472303321 |
Meng Sheng
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Singapore : , : Springer Nature Singapore : , : Imprint : Springer, , 2023 | ||
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Lo trovi qui: Univ. Federico II | ||
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