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Pressure-constant Monte Carlo simulation of phase I of solid CO2 up to 10 GPa at T = 200 K using Kihara potential model
Koji Kobashi
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 a…
Configurations of the third nearest-neighbor molecules forming a vacancy wall and an addition of a CO2 molecule in the vacancy of solid CO2 at T = 0, 100, and 200 K studied by Monte Carlo simulation technique
Koji Kobashi
Configurations of the molecules on the wall of a vacancy, formed by removing a central and its first and second nearest-neighbor (NN) molecules in solid CO2 with the Pa3 structure,…
Molecular Configurations Around Single Vacancy in Solid CO2 at 0, 100, and 200 K Studied by Monte Carlo Simulation
Koji Kobashi
The configurations of the molecules nearest to a single vacancy in solid CO2 were studied by the Metropolis Monte Carlo (MC) simulation at temperatures T = 0, 100, and 200 K. It wa…
Molecular Configuration Around Single Vacancy in Solid CO2 at T = 0 K Studied by Monte Carlo Simulation Technique
Koji Kobashi
Energetically minimum configurations of the first- and second-nearest neighbor (NN) CO2 molecules surrounding a vacancy, created by removing a single molecule from the Pa3 structur…