Computer code for the atomistic simulation of lattice defects and dynamics. [COMENT code] [electronic resource].
- Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 1980.
- Physical Description:
- Pages: 207 : digital, PDF file
- Additional Creators:
- United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- This document has been prepared to satisfy the need for a detailed, up-to-date description of a computer code that can be used to simulate phenomena on an atomistic level. COMENT was written in FORTRAN IV and COMPASS (CDC assembly language) to solve the classical equations of motion for a large number of atoms interacting according to a given force law, and to perform the desired ancillary analysis of the resulting data. COMENT is a dual-purpose intended to describe static defect configurations as well as the detailed motion of atoms in a crystal lattice. It can be used to simulate the effect of temperature, impurities, and pre-existing defects on radiation-induced defect production mechanisms, defect migration, and defect stability.
- Published through SciTech Connect., 04/01/1980., "hedl-tme-78-55(vol.3)", Schiffgens, J.O.; Graves, N.J.; Oster, C.A., and Hanford Engineering Development Lab., Richland, WA (USA)
- Funding Information:
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