Corpus ID: 235293800

Pressure-constant Monte Carlo simulation of phase I of solid CO2 up to 10 GPa at T = 200 K using Kihara potential model

@inproceedings{Kobashi2021PressureconstantMC,
  title={Pressure-constant Monte Carlo simulation of phase I of solid CO2 up to 10 GPa at T = 200 K using Kihara potential model},
  author={K. Kobashi},
  year={2021}
}
This article is a continuation of the past three papers, arXiv:1711.04976 (2017), arXiv:1809.04291 (2018), and arXiv:2006.09673v2 (2020), in which configurations of the molecules around a vacancy in solid CO2 with the Pa3 structure (phase I) were calculated by the Monte Carlo (MC) simulation technique at T ≦ 200 K and at a nominal pressure of P = 1 atm using lattice constants determined in reference to experimental data. For the intermolecular potential, the Kihara model of a rod-shape core… Expand

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