... . 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...

... 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...

...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...

... 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...

... , “ 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...

... 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...

... and the number of evaporation molecules increases with increasing the size of particles from 1 to 2 nm while it decreases for d = 3 nm. boiling spherical nanostructure molecular dynamics simulation evaporation With advances in ultrafine manufacturing technology, surface structures in nanoscale...

...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...

... dynamics method nanoparticles necking nanoparticles sintering laser molecular dynamics simulation neck growth Recent interest in fabricating flexible electronics has spurred extensive research related to delivering and defining both active and passive materials in a cost effective...

... 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...

...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...