Constructing a force interaction model for thermal conductivity computation using molecular dynamics simulation: ethylene glycol as an example.

@article{Lin2011ConstructingAF,
  title={Constructing a force interaction model for thermal conductivity computation using molecular dynamics simulation: ethylene glycol as an example.},
  author={Yung-Sheng Lin and Pai-Yi Hsiao and C L Chieng},
  journal={The Journal of chemical physics},
  year={2011},
  volume={134 15},
  pages={154509}
}
This study aims to construct a force interaction model for thermal conductivity computation and to analyze the liquid properties in atomic level for liquid ethylene glycol (EG) using molecular dynamic simulation. The microscopic details of the molecular system and the macroscopic properties of experimental interest are connected by Green-Kubo relations. In addition, the major contributions of heat transfer modes for thermal conductivity due to convection, interaction, and torque are obtained… CONTINUE READING

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In addition , the major contributions of heat transfer modes for thermal conductivity due to convection , interaction , and torque are obtained quantitatively .
In addition , the major contributions of heat transfer modes for thermal conductivity due to convection , interaction , and torque are obtained quantitatively .
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