SEST: Compute the strain effects on the thermal properties of bulk crystalline silicon
Welcome to the SEST development area. This project is for people actively developing source code and documentation for this tool.
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What is SEST?
SEST is a Rappture tool developed to compute the strain effects on the thermal properties of bulk crystalline silicon. In SEST, the covalent bonding of the silicon atoms is modeled by the Tersoff interatomic potential. The vibrational frequencies of the atoms are computed by using the theory of lattice dynamics with a quasiharmonic approximation of the Tersoff potential energy. For a user-specified strain, the Helmholtz free energy, entropy, internal energy and the heat capacity are computed and plotted with the temperature varying from 0K to 1500K.
How do I use this site?
You can edit any of the pages in this site and add information. For more instructions, see: