Phase transitions and dimensional cross-over in layered confined solids
[5];
[6];
[7];
[2]
- Nanjing University (China); Princeton University, NJ (United States)
- Nanjing University (China)
- Bohai University, Jinzhou (China)
- Instituto Nacional de Pesquisas Espaciais (Brazil)
- Brown University, Providence, RI (United States)
- Aalto University, Espoo (Finland); Loughborough University, Leicestershire (United Kingdom)
- Princeton University, NJ (United States)
The nature of solid phases and cross-over of order–disorder phase transitions from two-dimensional (2D) layers to three-dimensional (3D) bulk in confined atomic systems remain largely unexplained. To this end, we consider noble gases and aluminum confined between graphene sheets at different pressures and temperatures. Using crystal structure search methods and molecular dynamics based on machine-learned potentials with quantum-mechanical accuracy, we identify structures of multilayer confined solids that deviate from simple close packing. Upon heating, we find that confined 2D monolayers melt according to the two-step continuous Kosterlitz–Thouless–Halperin–Nelson–Young theory. However, multilayer solids transition continuously into an intermediate layered-hexatic phase before melting discontinuously into an isotropic liquid. This intermediate phase persists at least up to 12 layers studied here. This change can be qualitatively understood based on the cross-over from 2D topological defects toward 3D ones during melting as the number of layers increases.
- Research Organization:
- Princeton University, NJ (United States)
- Sponsoring Organization:
- Basic Research Program of Jiangsu; National Energy Research Scientific Computing Center (NERSC); National Natural Science Foundation of China; Postdoctoral Fellowship Program of CPSF; USDOE
- Grant/Contract Number:
- AC02-05CH11231; SC0019394
- OSTI ID:
- 2996983
- Journal Information:
- Proceedings of the National Academy of Sciences, Journal Name: Proceedings of the National Academy of Sciences Journal Issue: 17 Vol. 122; ISSN 1091-6490; ISSN 0027-8424
- Publisher:
- Proceedings of the National Academy of SciencesCopyright Statement
- Country of Publication:
- United States
- Language:
- English
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