Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems
R. Radev, A. Proykova
Abstract
The thermodynamic properties of 59 TeF6 clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on SUN3500 and CRAY-T3E computers. The Lindemann criterion shows that the clusters transform from liquid to solid and then from one solid structure to another in the temperature region 60-130 K.
Create a lesson
Related papers
Physical-state supervision for design-only Gaussian process surrogates of implosion simulations
Chang Liu, Hao Shen, Chuanying Li
Energy-dependent trapping of backscattered helium during magnetron sputtering growth: A molecular dynamics study
Pascal Brault, Anne-Lise Thomann, Alejandro Borroto
Alter-excitons in Altermagnets: Symmetry, Splitting and Dispersion
Yuanfan Xiong, Liangyu Wang, Xuan Wu et al.
All-electron RT-TDDFT with Exact Exchange based on Numeric Atom-centered Orbitals for Condensed Matter
Jianhang Xu, Christopher Shepard, Yosuke Kanai
Polyconvex neural-network surrogates with learned paired directional features for anisotropic hyperelastic homogenization
S. Ares de Parga, A. Cornejo, J. A. Hernández et al.
Parallel Design of a GPU-Resident Semi-Lagrangian Drift-Kinetic Solver on Unstructured Extruded Tokamak Meshes
Mark F. Adams