Frontiers in Energy >

2008 , Vol. 2 >Issue 3: 359 - 362

DOI: https://doi.org/10.1007/s11708-008-0039-9

Molecular dynamics simulation of diffusivity

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  • Power Engineering Department, Chongqing University;

Published date: 05 Sep 2008

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Abstract

Equilibrium molecular dynamics simulation was performed on water to calculate its diffusivity by adopting different potential models. The results show that the potential models have great influence on the simulated results. In addit

Cite this article

LIU Juanfang, ZENG Danling, LI Qin, GAO Hong . Molecular dynamics simulation of diffusivity[J]. Frontiers in Energy, 2008 , 2(3) : 359 -362 . DOI: 10.1007/s11708-008-0039-9

References

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4. Rapaport D C . The art of molecular dynamics simulation. Cambridge: Cambridge UniversityPress, 1995
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