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Keywords: molecular dynamics simulation
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Journal Articles
Article Type: Technical Briefs
J. Heat Transfer. May 2021, 143(5): 054501.
Paper No: HT-19-1143
Published Online: March 19, 2021
... theoretical prediction made a good agreement with the measured specific heat values from the literature with an error less than 3%. Additional verification of the proposed model was performed by a Molecular Dynamics simulation study. The simulated specific heat of pure molten salt eutectic made a good...
Journal Articles
Article Type: Research-Article
J. Heat Transfer. March 2020, 142(3): 031401.
Paper No: HT-19-1414
Published Online: January 29, 2020
... . 10.1016/j.applthermaleng.2014.10.050 [11] Wang , X.-W. , and Xu , X.-F. , 2002 , “ Molecular Dynamics Simulation of Heat Transfer and Phase Change During Laser Material Interaction ,” ASME J. Heat Transfer , 124 ( 2 ), pp. 265 – 274 . 10.1115/1.1445289 [12] Yang , N...
Journal Articles
Article Type: Research-Article
J. Heat Transfer. March 2020, 142(3): 032503.
Paper No: HT-19-1645
Published Online: January 29, 2020
...Mohammad Bagheri Motlagh; Mohammad Kalteh In this paper, molecular dynamics simulation is used to investigate the effect of copper and argon nanochannels size on the thermal conductivity of argon. Thermal conductivity is calculated by nonequilibrium molecular dynamics (NEMD) simulation. Simulations...
Journal Articles
Article Type: Research-Article
J. Heat Transfer. March 2019, 141(3): 032401.
Paper No: HT-17-1735
Published Online: January 14, 2019
.... , and Bai , M. , 2014 , “ Influence of Nanoparticle Properties on the Thermal Conductivity of Nanofluids by Molecular Dynamics Simulation ,” RSC Adv. , 4 ( 98 ), p. 55580 . 10.1039/C4RA07736A [5] Zerradi , H. , Ouaskit , S. , Dezairi , A. , Loulijat , H. , and Mizani , S...
Journal Articles
Article Type: Research-Article
J. Heat Transfer. September 2015, 137(9): 091001.
Paper No: HT-13-1562
Published Online: May 14, 2015
... Molecular Dynamics ,” Phys. Rev. Lett. , 76 ( 6 ), pp. 928 – 931 . 10.1103/PhysRevLett.74.928 [18] He , G. , and Hadjiconstantinou , N. G. , 2003 , “ A Molecular View of Tanner’s Law: Molecular Dynamics Simulation of Droplet Spreading ,” J. Fluid Mech. , 497 , pp. 123 – 132 . 10.1017...
Journal Articles
Article Type: Research-Article
J. Heat Transfer. October 2014, 136(10): 102401.
Paper No: HT-13-1369
Published Online: July 15, 2014
... Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations ,” J. Am. Chem. Soc. , 114 , pp. 10024 – 10035 . 10.1021/ja00051a040 [24] Essmann , U. , Perera , L. , Berkowitz , M. L. , Darden , T. , Lee , H. , and Pedersen , L. G. , 1995 , “ A Smooth...
Journal Articles
Article Type: Research-Article
J. Heat Transfer. December 2013, 135(12): 121503.
Paper No: HT-13-1039
Published Online: October 14, 2013
... (ISMNT) , Paper No. XXV II-3-01. [2] Kunugi , T. , and Muko , K. , “ New Heat-Exchange and Heat-Transfer Methods Between Solids and Fluids ,” Patent No. 2002-297088, JP. [3] Nagayama , G. , Kawagoe , M. , and Tsuruta , T. , 2007 , “ Molecular Dynamics Simulations of...
Journal Articles
Article Type: Research Papers
J. Heat Transfer. October 2011, 133(10): 101501.
Published Online: August 11, 2011
...Ian A. Cosden; Jennifer R. Lukes Molecular dynamics simulations are performed to calculate the surface tension of bubbles formed in a metastable Lennard–Jones (LJ) argon fluid. The calculated normal and transverse pressure components are used to compute a surface tension which is compared to the...
Journal Articles
Article Type: Research Papers
J. Heat Transfer. September 2008, 130(9): 092404.
Published Online: July 11, 2008
... Sci. 0021-8502 10.1016/S0021-8502(01)00177-X , 33 , pp. 357 – 368 . Zhu , H. , and Averback , R. S. , 1996 , “ Sintering Processes of Two Nanoparticles: A Study of Molecular-Dynamics Simulations ,” Philos. Mag. Lett. 0950-0839 10.1080/095008396181073 , 73 ( 1 ), pp. 27 – 33...
Journal Articles
Article Type: Technical Papers
J. Heat Transfer. June 2007, 129(6): 705–716.
Published Online: September 15, 2006
... dynamics simulation results range from several hundred to 6600 W∕m K and existing theoretical predictions range from several dozens to 9500 W∕m K. To clarify the several-order-of-magnitude discrepancy in the literature, this paper utilizes molecular dynamics simulation to systematically examine the thermal...
Journal Articles
Article Type: Technical Papers
J. Heat Transfer. August 2001, 123(4): 741–748.
Published Online: November 20, 2000
...J. H. Walther, Postdoctoral Fellow; P. Koumoutsakos, Professor Molecular dynamics simulations are used to study the sub-critical evaporation of a nanometer-size droplet at 300 K and 3 MPa. Classical molecular dynamics techniques are combined with an adaptive tree data structure for the construction...