Phonon Transport Simulator (PhonTS)

Published: 1 January 2015| Version 1 | DOI: 10.17632/vn5wph88hy.1
Aleksandr Chernatynskiy, Simon R. Phillpot


This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Thermal conductivity prediction remains an important subject in many scientific and engineering areas. Only recently has such prediction become possible on the basis of the first principles calculations, thus ensuring high quality results. Implementation of the methodology, however, is technically challenging and requires a lengthy development process. We thus introduce the Phonon Transport Simulator (PhonTS), a Fortran90, fully parallel code to perform such calculations. PhonTS possesses a l... Title of program: PhonTS Catalogue Id: AEVO_v1_0 Nature of problem Computes thermal conductivity in crystal solids from the level of the interatomic interactions. Versions of this program held in the CPC repository in Mendeley Data AEVO_v1_0; PhonTS; 10.1016/j.cpc.2015.01.008 AEVO_v1_0; PhonTS; 10.1016/j.cpc.2015.01.008



Surface Science, Condensed Matter Physics, Computational Physics