Hybrid molecular-continuum fluid dynamics

被引：41

作者：

Delgado-Buscalioni, R ^{[1
]}

Coveney, PV ^{[1
]}

机构：

[1] UCL, Dept Chem, Ctr Computat Sci, London WC1H 0AJ, England

来源：

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES | 2004年 / 362卷 / 1821期

关键词：

molecular dynamics; continuum fluid dynamics; hybrid methods; soft condensed matter; nanofluidics;

D O I：

10.1098/rsta.2004.1401

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

We describe recent developments in the hybrid atomistic/continuum modelling of dense fluids. We discuss the general implementation of mass, momentum and energy transfers between a region described by molecular dynamics and a neighbouring domain described by the Navier-Stokes equations for unsteady continuum fluid flow.

引用

页码：1639 / 1654

页数：16

共 17 条

[1] Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture [J].

Abraham, FF ;

Broughton, JQ ;

Bernstein, N ;

Kaxiras, E .

EUROPHYSICS LETTERS, 1998, 44 (06) :783-787

[2]

[Anonymous], 1980, SERIES COMPUTATIONAL, DOI [DOI 10.1201/9781482234213, 10.1201/9781482234213]

[3]

BARSKY S, 2004, IN PRESS J CHEM PHYS, P56105

[4] Inverse Chapman-Enskog derivation of the thermohydrodynamic lattice-BGK model for the ideal gas [J].

Boghosian, BM ;

Coveney, PV .

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 1998, 9 (08) :1231-1245

[5]

DELAGDOBUSCALIO.R, 2003, VIRTUAL J NANOSCALE, V7, P56105

[6] Continuum-particle hybrid coupling for mass, momentum, and energy transfers in unsteady fluid flow [J].

Delgado-Buscalioni, R ;

Coveney, PV .

PHYSICAL REVIEW E, 2003, 67 (04) :13-467041

[7] USHER: An algorithm for particle insertion in dense fluids [J].

Delgado-Buscalioni, R ;

Coveney, PV .

JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (02) :978-987

[8]

DELGADOBUSCALIO.R, 2003, OSCILLATORY SHEAR FL, P56105

[9]

ESPANOL P, 2003, TRENDS NANOSCALE MEC

[10] Foundations of dissipative particle dynamics [J].

Flekkoy, EG ;

Coveney, PV ;

De Fabritiis, G .

PHYSICAL REVIEW E, 2000, 62 (02) :2140-2157

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