2 citations · 8 across the 9 of their papers we have counts for
9 papers
Frenkel anomaly on co-ordination numbers in liquid CO2 at 100 and 1000 bar studied by Monte Carlo simulation using Kihara potential model
Koji Kobashi
An issue concerning the Frenkel line of liquid CO2 is that its location has not been unequivocally determined. So far, reliable Frenkel lines were identified from velocity autocorr…
Radial distribution and its spherical harmonics expansion in liquid CO2 at 250 K and 50 bar based on pressure-constant Monte Carlo simulation using Kihara Potential Model
Koji Kobashi
The purpose of this article is to compute the radial distribution function of liquid CO2 at 250 K and 50 bar and its expansion coefficients by spherical harmonics as a function of…
Pressure-Constant Monte Carlo Simulation of Solid CO2 Phase I up to 10 GPa using Kihara Potential Model
Koji Kobashi
Solid CO2 phase I was studied using the pressure-constant NPT Monte Carlo simulation and the Kihara core potential in the temperature range below 194 K and the pressure range below…
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…
Shift of Fermi level by substitutional impurity-atom doping in diamond and cubic- and hexagonal-boron nitrides II. Generalized Gradient Approximation
Koji Kobashi
In succession to the first paper (arXiv 1406.6204v5), the impurity-atom concentrations when the Fermi levels are either at the valence band maximum (VBM) or the conduction band min…
Shift of Fermi level by substitutional impurity-atom doping in diamond and cubic- and hexagonal-boron nitrides
Koji Kobashi
The density of states and the band diagrams were computed for diamond, cubic boron nitrde (cBN), and hexagonal boron nitride (hBN) using a Korringa-Kohn-Rostoker (KKR) scheme to in…