Cuboidal bcc to fcc Transformation of Lennard-Jones Phases under High Pressure Derived from Exact Lattice Summations
Author:
Affiliation:
1. Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, 0632 Auckland, New Zealand
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.2c01255
Reference49 articles.
1. Theory of the crystal structures of transition metals
2. Evolution of crystal structures in metallic elements
3. Cesium under pressure: First-principles calculation of the bcc-to-fcc phase transition
4. Sodium under pressure: bcc to fcc structural transition and pressure-volume relation to 100 GPa
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1. 100 Years of the Lennard-Jones Potential;Journal of Chemical Theory and Computation;2024-04-26
2. High-pressure behavior of hydrophobically coated gold nanoparticle supercrystals: role of the structure;Soft Matter;2023
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