Support Options

Submit a Support Ticket



By Gang Li1, Zhi Tang1, huijuan zhao1, Narayan Aluru1

1. University of Illinois at Urbana-Champaign

Compute the strain effects on the thermal properties of bulk crystalline silicon

Launch Tool

You must login before you can run this tool.

Version 1.0w - published on 17 Mar 2015

doi:10.4231/D3696ZZ8C cite this

This tool is closed source.

View All Supporting Documents



Published on


SEST computes 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.


This work was supported by the National Science Foundation.

Cite this work

Researchers should cite this work as follows:

  • H. Zhao, Z. Tang, G. Li and N. R. Aluru, "Quasiharmonic models for the calculation of thermodynamic properties of crystalline silicon under strain", Journal of Applied Physics, Vol. 99, No. 6, Art. No. 064314, 2006.

  • Gang Li; Zhi Tang; huijuan zhao; Narayan Aluru (2015), "SEST," (DOI: 10.4231/D3696ZZ8C).

    BibTex | EndNote

Tags, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.