A study on the extension of correlation functions obtained from molecular dynamics simulations by the Ornstein–Zernike theory for modeled molten salts
We extend the correlation functions obtained by molecular dynamics (MD) simulation for a molten salt modeled as a superposition of the Lennard-Jones (LJ) and Coulomb potentials using the hybrid closure method, which employs the Ornstein–Zernike (OZ) theory coupled with a closure relation. An appropr...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-11-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0180366 |