Published March 1995
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Molecular dynamics study of silver
Description
We present results of molecular dynamics study using the embedded atom potential to examine the equilibrium bulk properties of Ag. We calculate the total energy and the lattice parameters as a function of temperature. From these we determine the specific heat and linear coefficient of thermal expansion. The comparison with experimental results of these two quantities is found to be excellent. We have also calculated the mean square displacement of the atoms in the three directions. As expected because of symmetry the displacements in the three directions are comparable and increase with increasing temperature. (author) 5 figs
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Additional details
Publishing Information
- Imprint Pagination
- 27 p.
- Report number
- PINSTECH--146
INIS
- Country of Publication
- Pakistan
- Country of Input or Organization
- Pakistan
- INIS RN
- 28015093
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S36: MATERIALS SCIENCE;
- Descriptors DEI
- COMPUTERIZED SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS METHOD; SILVER; SPECIFIC HEAT; TEMPERATURE DEPENDENCE; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES
- Descriptors DEC
- CALCULATION METHODS; ELEMENTS; EXPANSION; METALS; PHYSICAL PROPERTIES; SIMULATION; TRANSITION ELEMENTS