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Computer simulation in materials science interatomic potentials, simulation techniques, and applications

Madeleine Meyer ; NATO Advanced Study Institute on Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques, and Applications (1991 Aussois, France) Madeleine Meyer; Vassilis Pontikis; North Atlantic Treaty Organization Scientific Affairs Division

Dordrecht Kluwer Academic Publishers Boston c1991

Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto    (681.3 M615c )(Acessar)

  • Título:
    Computer simulation in materials science interatomic potentials, simulation techniques, and applications
  • Autor: Madeleine Meyer ; NATO Advanced Study Institute on Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques, and Applications (1991 Aussois, France)
  • Madeleine Meyer; Vassilis Pontikis; North Atlantic Treaty Organization Scientific Affairs Division
  • Assuntos: Materials science -- Computer simulation -- Congresses; Molecular dynamics -- Computer simulation -- Congresses; COMPUTAÇÃO APLICADA; Engineering Use of Computers
  • Notas: Includes bibliographical references and index
  • Descrição: An introduction to molecular dynamics, with applications to the glass transition / J.P. Hansen -- Molecular dynamics simulations at constant temperature and pressure / S. Nosé -- Molecular dynamics of polyatomic systems / J.P. Ryckaert -- MonteCarlo : choosing which game to play / J.P. Valleau -- Lecture notes on free-energy calculations / D. Frenkel -- Molecular dynamics simulations of nonequilibrium phenomena and rare dynamical events / G. Ciccotti -- Transport properties computedby linear response through weak coupling to a bath / H.J.C. Berendsen -- Interionic potentials : a user's guide / J.H. Harding -- Potentials for the classical simulation of molecular systems : c urrent and future model intermolecular potentials /S.L. Price The pseudopotential approach to the interatomic interaction problem / L. Dagens -- Tight-binding potentials / F. Ducastelle -- Calculating the properties of materials from scratch / M.J. Gillan -- Ab-initio molecular dynamics : principles andpractical implementation / G. Galli and M. Parrinello -- Quantum simulation using path integrals / M. Sprik -- The application of quantum Monte Carlo to problems in electronic structure / D.M. Ceperley -- The det ermination of the elasticproperties of inhomogeneous systems by computer simulation / J.F. Lutsko -- Microscopic modeling of amorphization by solid state reactions : role of chemical disorder and elastic softening in the interm etallic alloy NiZrb2s / C. Massobrio
    --Atomic structure and stability of quasicrystals / F. Lançon -- Orientational disorder and structural phase transitions in plastic molecular crystals / M. Ferrario Structural organization in self-assembled monolayers / J. Hautman and M.L. Klein -- The design of convergent and transferable ab-initio pseudopotentials / A.M. Rappe and J.D. Joannopoulos -- Effect of specific features of elect ronic structure onelastic and structural properties of metals and alloys / V.G. Vaks -- Density functional calculations : a database for parameterizing interatomic potentials / R.O. Jones and D. Hohl -- Quantum simulation of me tallic microclusters / P. Ballone --Plasma simulations using the Car-Parrinello method / J. Clérouin, G. Zerah and J.P. Hansen -- Dissipative and fluctuating hydrodynamic interactions between suspended solid particles via latti ce-gas cellular automata / A.J.C. Ladd -- Molecularsimulations of non-equilibrium large scale phenomena in fluids / M. Mareschal -- Simulation of dislocation microstructures / L.P. Kubin
  • Títulos relacionados: Série:NATO ASI series Series E Applied sciences no. 205
  • Editor: Dordrecht Kluwer Academic Publishers Boston
  • Data de criação/publicação: c1991
  • Formato: ix, 548 p. ill. 25 cm.
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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