Journal
MATERIALS
Volume 15, Issue 3, Pages -Publisher
MDPI
DOI: 10.3390/ma15030997
Keywords
lubrication; nanotribology; Frank dislocation; phase transition; molecular dynamics
Categories
Funding
- National Science Foundation [NSF 1149704]
- National Energy Research Scientific Computing Center (NERSC)
- DOE Office of Science User Facility
- Office of Science of U.S. Department of Energy [DE-AC02-05CH11231]
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This study investigated the phase transition and solvation force oscillation behavior of a simple argon liquid film confined between two solid surfaces using LVMD simulations. The results showed that the formation, climb, and annihilation of Frank partial dislocations during the squeeze-out process under compression led to force hysteresis.
Liquid-vapor molecular dynamics (LVMD) simulations are performed to reinvestigate the phase transition and solvation force oscillation behavior of a simple argon liquid film confined between two solid surfaces. Our simulations present a novel scenario in which the n -> n - 1 layering transitions are accompanied by the formation, climb, and annihilation of Frank partial dislocations during the squeeze-out process under compression. This is indicated by the splitting of the repulsive peaks in the solvation force profile. The detailed analysis reveals that the formation-climb-annihilation mechanism of Frank dislocation occurs during approach and disappears during receding, which would result in force hysteresis. In combination with our recent works, this study provides new insights into the physical property of nanoconfined lubricant films in boundary lubrication.
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