QUANTUM-CLASSICAL CALCULATIONS OF THE NANOMECHANICAL PROPERTIES OF METALS
Molecular-dynamics (MD) simulations constitute an important tool in the study of nanoscale metallic systems, especially so in the face of the difficulties plaguing their experimental analysis. Main limitations of the MD method stem from the empirical nature of the potentials employed, their functio...
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| Format: | Article |
| Language: | English |
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Gdańsk University of Technology
2009-07-01
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| Series: | TASK Quarterly |
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| Online Access: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2014 |