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Keywords: molecular dynamics simulation
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Journal Articles
Publisher: ASME
Article Type: Technical Briefs
J. Heat Mass Transfer. May 2021, 143(5): 054501.
Paper No: HT-19-1143
Published Online: March 19, 2021
... . The 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
Publisher: ASME
Article Type: Research-Article
J. Heat Mass Transfer. March 2020, 142(3): 031401.
Paper No: HT-19-1414
Published Online: January 29, 2020
... molecular dynamics simulation monohydric alcohols The rapid development of technologies has promoted energy demand considerably, which has also caused environmental pollution owing to the huge amount of fossil fuel consumption. Great interests have thus been aroused in the investigations of solar...
Journal Articles
Journal Articles
Publisher: ASME
Article Type: Research-Article
J. Heat Mass Transfer. March 2019, 141(3): 032401.
Paper No: HT-17-1735
Published Online: January 14, 2019
... liquid layer nanofluids thermal conductivity molecular dynamics simulation Green–Kubo method Nanofluids are a new class of solid–liquid suspensions that provide the ability in the development of energy-efficient heat transfer fluids. They are synthesized by dispersing nanometer size solid...
Journal Articles
Publisher: ASME
Article Type: Research-Article
J. Heat Mass Transfer. September 2015, 137(9): 091001.
Paper No: HT-13-1562
Published Online: May 14, 2015
... , “ Terraced Spreading of Chain Molecules Via 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...
Journal Articles
Publisher: ASME
Article Type: Research-Article
J. Heat Mass Transfer. October 2014, 136(10): 102401.
Paper No: HT-13-1369
Published Online: July 15, 2014
... Potentials ,” J. Phys. Chem. , 91 , pp. 6269 – 6271 . 10.1021/j100308a038 [23] Rappé , A. K. , Casewit , C. J. , Goddard , W. A. , III , and Skiff , W. M. , 1992 , “ UFF, a Full Periodic Table Force Field for Molecular Mechanics and Molecular Dynamics Simulations ,” J. Am. Chem...
Journal Articles
Journal Articles
Publisher: ASME
Article Type: Research Papers
J. Heat Mass 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...
Journal Articles
Journal Articles
Publisher: ASME
Article Type: Technical Papers
J. Heat Mass 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
Publisher: ASME
Article Type: Technical Papers
J. Heat Mass 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...