Computer simulation in materials science : interatomic potentials, simulation techniques, and applications /
Guardado en:
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| Otros Autores: | , , |
| Formato: | Libro |
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| Publicado: |
Dordrecht :
Kluwer Academic Publishers,
c1991.
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| Colección: | NATO ASI series. Series E, Applied sciences ;
no. 205. |
| Materias: |
Tabla de Contenidos:
- 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
- Monte Carlo : 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 computed by 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 : current 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 and practical 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 determination of the elastic properties 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 intermetallic alloy NiZr / C. Massobrio
- Atomic structure and stability of quasicrystals / F. Lanðcon
- 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 electronic structure on elastic 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 metallic 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 lattice-gas cellular automata / A.J.C. Ladd
- Molecular simulations of non-equilibrium large scale phenomena in fluids / M. Mareschal
- Simulation of dislocation microstructures / L.P. Kubin.
