The DOI matches its Crossref record.
Structural Transitions in Superionic Conductors
Abstract
The $\ensuremath{\alpha}\ensuremath{\rightleftarrows}\ensuremath{\beta}$ phase transition in AgI is studied with use of the new molecular-dynamics technique which allows for a dynamical variation of the shape and size of the cell. In the present model, upon heating of $\ensuremath{\beta}$-AgI, the iodine ions undergo a hep \ensuremath{\rightarrow} bee transformation and silver ions become mobile, whereas the reverse transformation is observed on cooling of $\ensuremath{\alpha}$-AgI. The calculated $\ensuremath{\alpha}\ensuremath{\rightleftarrows}\ensuremath{\beta}$ transition temperature and structural and dynamical properties are in good agreement with experiments.
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Cited by
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
Vandermause, J., Torrisi, S. B., Batzner, S., Xie, Y., Sun, L., Kolpak, A. M., & Kozinsky, B. (2020) · npj Computational Materials · doi:10.1038/s41524-020-0283-z · Cited by 459
Metadata
- Authors
- Parrinello, M., Rahman, A., & Vashishta, P.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1983-04-04
- Volume
- 50
- Issue
- 14
- Pages
- 1073-1076
- ISSN
- 0031-9007 (ISSN-L)
- OpenAlex
- W1984077735
- Cited by
- 260
- References
- 0
- FWCI
- 17.13
- Type
- journal article
- Language
- en
- Open access
- closed
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
