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Temperature and Composition Dependent Structural Evolution: Thermodynamics of Cu(n)Ag(135−n) (n = 0–135) Nanoalloys during Cooling
Molecular dynamics simulations are performed to investigate the changes of packing structures, and thermodynamic quantities including internal energy, entropy, and free energy are used to determine temperature regime and transition time of atomic packing structures. The simulation results show diffe...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8540764/ https://www.ncbi.nlm.nih.gov/pubmed/34684823 http://dx.doi.org/10.3390/molecules26206242 |