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SEST

This resource has a 5.3 Ranking

Ranking is calculated from a formula comprised of user reviews and usage statistics. Learn more ›

Usage Stats
Overall Period: Updated 08 Jan, 2009
Users: 115
Jobs: 286
Avg. exec. time: 3 hours
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Avg. Review: 0.0 out of 5 stars
Citations: 0

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Available Versions

  • 1 (published)
Version 1 - published on 16 Jun, 2006
Contributor(s) Zhi Tang, Huijuan Zhao, Narayan Aluru
University of Illinois, Urbana-Champaign
At a glance Compute the strain effects on the thermal properties of bulk crystalline silicon
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Description

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.

Credits

This work was supported by the National Science Foundation.
Cite this work

If you reference this work in a publication, please cite 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.

  • Tang, Zhi; Zhao, Huijuan; Aluru, Narayan (2006), "SEST," doi: 10254/nanohub-r1587.1.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org
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