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Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics PDF Author: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 0521190096
Category : Science
Languages : en
Pages : 371

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Book Description
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.

Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics PDF Author: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 0521190096
Category : Science
Languages : en
Pages : 371

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Book Description
This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.

Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics PDF Author: Billy D. Todd
Publisher: Cambridge University Press
ISBN: 1316982475
Category : Technology & Engineering
Languages : en
Pages :

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Book Description
Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and how to compute it from basic microscopic principles, and generalized hydrodynamics.

Nonequilibrium Molecular Dynamics Simulations of Polymer Melts

Nonequilibrium Molecular Dynamics Simulations of Polymer Melts PDF Author: Michael T. Waroblak
Publisher:
ISBN:
Category :
Languages : en
Pages : 108

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Nonequilibrium Molecular Dynamics Simulations on Distributed Memory Machines

Nonequilibrium Molecular Dynamics Simulations on Distributed Memory Machines PDF Author: David Peter Hansen
Publisher:
ISBN:
Category : Molecular dynamics
Languages : en
Pages : 392

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Nonequilibrium Molecular Dynamics Simulation of the Thermocapillary Effect

Nonequilibrium Molecular Dynamics Simulation of the Thermocapillary Effect PDF Author: Holger Andreas Maier
Publisher:
ISBN:
Category :
Languages : en
Pages : 233

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Nonequilibrium Molecular Dynamics: The First 25 Years

Nonequilibrium Molecular Dynamics: The First 25 Years PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

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Development and Application of Non-periodic and Non-equilibrium Molecular Dynamics Simulation Methods

Development and Application of Non-periodic and Non-equilibrium Molecular Dynamics Simulation Methods PDF Author: Kelsey M. Stocker
Publisher:
ISBN:
Category :
Languages : en
Pages : 113

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Molecular Dynamics Simulation

Molecular Dynamics Simulation PDF Author: Giovanni Ciccotti
Publisher: MDPI
ISBN: 3906980650
Category :
Languages : en
Pages : 636

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Printed Edition of the Special Issue Published in Entropy

Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 13

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Book Description
The development of nonequilibrium molecular dynamics is described, with emphasis on massively-parallel simulations involving the motion of millions, soon to be billions, of atoms. Corresponding continuum simulations are also discussed. 14 refs., 8 figs.

Nonequilibrium Molecular Dynamics

Nonequilibrium Molecular Dynamics PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 4

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Book Description
This paper discusses the past, present and future of calculation methods in nonequilibrium molecular dynamics. (LSP).