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Keywords: molecular dynamics
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Proceedings Papers

Proc. ASME. MNHMT2019, ASME 2019 6th International Conference on Micro/Nanoscale Heat and Mass Transfer, V001T10A002, July 8–10, 2019
Paper No: MNHMT2019-3947
...MOLECULAR DYNAMICS SIMULATION OF DIFFUSION AND AGGREGATION BEHAVIOR OF HELIUM IN TUNGSTEN BULK MATERIALS Jiapei Zhang1,2, Wei Li1,* 1. Department of Energy Engineering, Zhejiang University 2. Department of Energy Engineering, Collaborative Innovation Center of Advanced Aero-Engine, Zhejiang...
Proceedings Papers

Proc. ASME. MNHMT2019, ASME 2019 6th International Conference on Micro/Nanoscale Heat and Mass Transfer, V001T07A003, July 8–10, 2019
Paper No: MNHMT2019-4211
... with and without water on the material surface are studied using molecular dynamics simulations. The atomic image of the material morphology was obtained by recording the velocity and position variation of atoms. Temperature distribution contour of the crystalline material along the ablation process are charted...
Proceedings Papers

Proc. ASME. MNHMT2019, ASME 2019 6th International Conference on Micro/Nanoscale Heat and Mass Transfer, V001T09A004, July 8–10, 2019
Paper No: MNHMT2019-4029
... mechanism is related to the specific morphology. Our findings can deliver new insights on designing high thermal conductive polymers. thermal conductivity molecular dynamics 3D polyethylene shear knitting INVESTIGATION OF THE THERMO-MECHANICAL PROPERTY OF KNITTING 3D POLYETHYLENE: A COMPARATIVE...
Proceedings Papers

Proc. ASME. MNHMT2013, ASME 2013 4th International Conference on Micro/Nanoscale Heat and Mass Transfer, V001T02A001, December 11–14, 2013
Paper No: MNHMT2013-22008
... been simulated by molecular dynamics. Nanofluids Large eddy simulation Lagrange Flow characteristics Molecular dynamics NUMERICAL STUDY OF NANOFLUIDS FLOW CHARACTERISTICS USING LES LAGRANGE METHOD AND MOLECULAR DYNAMICS SIMULATION Chengzhi Hu School of Energy and Power Engineering, Dalian...
Proceedings Papers

Proc. ASME. MNHMT2009, ASME 2009 Second International Conference on Micro/Nanoscale Heat and Mass Transfer, Volume 1, 507-513, December 18–21, 2009
Paper No: MNHMT2009-18275
... 18 10 2010 Nanofluid is a colloidal solution of nano-sized solid particles in liquids. Ar-Al nanofluid is a promising heat transport fluid in the fields of low-temperature engineering. A simplified model based on the equilibrium molecular dynamics (EMD) simulation is constructed...
Proceedings Papers

Proc. ASME. MNHMT2009, ASME 2009 Second International Conference on Micro/Nanoscale Heat and Mass Transfer, Volume 2, 507-511, December 18–21, 2009
Paper No: MNHMT2009-18063
... Thermal conductivity of (5,5) and (3,3) carbon nanotubes with Stone-Wales (SW) defects is investigated by molecular dynamics simulation. Non-equilibrium molecular dynamics method is employed and the reactive empirical bond order potential is chosen. In the simulation, the temperature difference...
Proceedings Papers

Proc. ASME. MNHMT2009, ASME 2009 Second International Conference on Micro/Nanoscale Heat and Mass Transfer, Volume 3, 279-282, December 18–21, 2009
Paper No: MNHMT2009-18414
..., P. R. of China ABSTRACT Non-equilibrium molecular dynamics (NEMD) simulation method is used to investigate the in-plane thermal conductivity of graphene with different structures. The simulation results demonstrate that, as the length of simulated region increasing, the in-plane thermal conductivity...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 605-609, June 6–9, 2008
Paper No: MNHT2008-52323
... 23 06 2009 This paper employed molecular dynamics (MD) simulation to investigate the transport phenomena and thermal effect at nano-scale inside fuel cell electrolyte. The material of the electrolyte was chosen to be Nafion® which is the most commonly used material for proton exchange...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 1155-1161, June 6–9, 2008
Paper No: MNHT2008-52371
...Proceedings of MNHT2008 Micro/Nanoscale Heat Transfer International Conference January 6-9, 2008, Tainan, Taiwan 1 Copyright © 2008 by ASME Keywords: thermal conductivity, nanowire, molecular dynamics NOMENCLATURE A SW potential parameter B SW potential parameter D phonon density of state wd...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 185-186, June 6–9, 2008
Paper No: MNHT2008-52199
... 1 Copyright © 2008 by ASME lower than three orders of magnitude. Keywords: phase transition, nucleation, molecular dynamics INTRODUCTION Nucleation processes in vapors at very high super- saturations, i.e. in the vicinity of the spinodal, cannot be studied with experimental methods, because...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 441-444, June 6–9, 2008
Paper No: MNHT2008-52092
... nanofilm is investigated by molecular dynamics simulation. It is found that the interfacial thermal resistance is asymmetric, namely, it depends on the direction of heat flow across the interface. And at high temperature, the rectification of interfacial thermal resistance decreases with increasing...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 1-7, June 6–9, 2008
Paper No: MNHT2008-52067
... 23 06 2009 In this work, extensive equilibrium molecular dynamics simulations are conducted to study the shear viscosity of nanocolloidal dispersion. Strong oscillation of the pressure tensor autocorrelation function is observed. The computational domain contains solvent of liquid...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 1351-1355, June 6–9, 2008
Paper No: MNHT2008-52204
... of a discrete computation method for its analysis. Hence, a methodology is proposed which utilizes Molecular Dynamics (MD) simulations to obtain the size affected thermal conductivity of the interfacial layer, which in turn characterizes the thermal contact conductance behavior. Molecular Dynamics codes have...
Proceedings Papers

Proc. ASME. MNHT2008, ASME 2008 First International Conference on Micro/Nanoscale Heat Transfer, Parts A and B, 9-13, June 6–9, 2008
Paper No: MNHT2008-52104
... 23 06 2009 Thermal conductivities for single-walled carbon nanotubes (SWNTs) filled with water are calculated with non-equilibrium molecular dynamics (NEMD) simulation method. Simulation results demonstrate the thermal conduction for the tube filed with water is better than the pure...