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Extension of the Aggregation-Volume-Bias Monte Carlo Method to the Calculation of Phase Properties of Solid Systems: A Lattice-Based Cluster Approach
[Image: see text] The aggregation-volume-bias Monte Carlo method, which has been successful in the calculation of the formation free energies of liquid clusters, is extended to solid systems. This extension is motivated by early studies where disordered clusters are observed when the original method...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9393858/ https://www.ncbi.nlm.nih.gov/pubmed/35939050 http://dx.doi.org/10.1021/acs.jpca.2c04333 |