Computer code for the atomistic simulation of lattice defects and dynamics. [COMENT code]
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.
- Research Organization:
- Hanford Engineering Development Lab., Richland, WA (United States)
- DOE Contract Number:
- AC14-76FF02170
- OSTI ID:
- 5274308
- Report Number(s):
- HEDL-TME-78-55(Vol.3); TRN: 80-011284
- Country of Publication:
- United States
- Language:
- English
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