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Journal
2010 | 8 | 5 | 804-810
Article title

New parameters of many-body potentials: studying the thermal and mechanical properties of noble metals

Content
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Languages of publication
EN
Abstracts
EN
New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.
Publisher

Journal
Year
Volume
8
Issue
5
Pages
804-810
Physical description
Dates
published
1 - 10 - 2010
online
22 - 7 - 2010
Contributors
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-009-0153-2
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