对于采用分子动力学方法研究导热系数的背景、研究现状及存在的问题进行了综述和分析。总结了通过分子动力学模拟方法求得导热系数的物理模型和基本算法。讨论了目前在微尺度导热问题的研究中引入分子动力学模拟方法需要考察的影响因素和几个重要问题。
The background, current research status and problems of molecular dynamics (MD)study on thermal conductivity are reviewed and analyzed. The physical modelsand fundamental algorithms of MD simulations appropriate for thermal conductivity computations are summarized. In particular, several importantin fluence factors and problems are discussed in consideration of introducing molecular dynamics simulation method to the realm of microscale conductive heat transfer.
参考文献
| [1] | Chou F C;Lukes J R;Liang X G.Molecular Dynamicsin Microscale Thermophysical Engineering[J].Annals of Review Heat Transfer,1999(10):141-176. |
| [2] | ALLEN M P;Tildesley D J.Computer Simulation of Li- quids[M].Oxford:Clarendon Press,1987 |
| [3] | [EB/OL].http://www.csm.ornl.gov/GC/materials/PICS.html |
| [4] | EVANS D J .Homogeneous NEMD Algorithm for Thermal Conductivity-applicationof Non-Canonical Linear Response Theory[J].Physics Letters A,1982,91:457-460. |
| [5] | IKESHOJI T;Hafskjold B .Non-Equilibrium Molecular Dynamics Calculationof Heat Conduction in Liquid and through Liquid-Gas Interface[J].Molecular Physics,1994,81:251-261. |
| [6] | Mullerplathe F. .A SIMPLE NONEQUILIBRIUM MOLECULAR DYNAMICS METHOD FOR CALCULATING THE THERMAL CONDUCTIVITY[J].The Journal of Chemical Physics,1997(14):6082-6085. |
| [7] | Hoover W G .Nonequilibrium Molecular Dynamics[J].Annual Review of Physical Chemistry,1983,34:103-127. |
| [8] | Tenenbaum A;Ciccotti G;Gallico R .Stationary Nonequilibrium Statesby Molecular Dynamics-Fourier's Law[J].Physical Review A,1982,29:2778-2787. |
| [9] | Kotake S;Wakuri S .Molecular Dynamics Study of Heat Conduction inSolid Materials[J].JSME International Journal Series B:Fluids and Thermal Engineering,1994,37:103-108. |
| [10] | Mountain R D;MacDonald R A .Thermal Conductivity of Crystals: AMolecular-Dynamics Study of Heat Flow in a Two-Dimensional Crystal[J].Physical Review B,1983,28:3022-3025. |
| [11] | Volz S.;Lallemand M.;Perrin B.;Depondt P.;Mareschal M.;Saulnier JB. .TRANSIENT FOURIER-LAW DEVIATION BY MOLECULAR DYNAMICS IN SOLID ARGON[J].Physical Review.B.Condensed Matter,1996(1):340-347. |
| [12] | Sebastian G. Volz;Gang Chen .Molecular dynamics simulation of thermal conductivity of silicon nanowires[J].Applied physics letters,1999(14):2056-2058. |
| [13] | Volz S;Chen G .Molecular-Dynamics Simulation of Thermal Conductivity ofSilicon Crystals[J].Physical Review B,2000,61:2651-2656. |
| [14] | Maiti A.;Pantelides ST.;Mahan GD. .DYNAMICAL SIMULATIONS OF NONEQUILIBRIUM PROCESSES - HEAT FLOW AND THE KAPITZA RESISTANCE ACROSS GRAIN BOUNDARIES[J].Solid State Communications,1997(7):517-521. |
| [15] | Lukes J R;Liang X G;Tien C L .Molecular Dynamics Study of SolidThin-Film Thermal Conductivity[A].,1998,361:229-240. |
| [16] | 冯晓利,李志信,梁新刚,过增元.纳米薄膜导热系数的分子动力学模拟[J].科学通报,2000(19):2113-2117. |
上一张
下一张
上一张
下一张
计量
- 下载量()
- 访问量()
文章评分
- 您的评分：
-
10%
-
20%
-
30%
-
40%
-
50%