Materials Chemistry and Physics, Vol.146, No.1-2, 170-174, 2014
Molecular dynamics simulation of phase transitions in crystalline lead (II) fluoride
Using classical molecular dynamics applied to crystalline PbF2, we have simulated transitions between cubic and orthorhombic phases and reciprocally. These transitions were induced by pressure and temperature treatments. The orthorhombic phase was evidenced by analysis of different distribution functions and XRD spectra drawn from the ions positions in the simulated samples. (C) 2014 Elsevier B.V. All rights reserved.