Ab initio simulated Van Hove correlation function for time-resolved local dynamics in molten MgCl2

Banerjee, Shubhojit; Chahal, Rajni; Ivanov, Alexander S.; Roy, Santanu; Bryantsev, Vyacheslav S.; Shinohara, Yuya; Lam, Stephen T.

doi:10.1016/j.molliq.2024.125821

Ab initio simulated Van Hove correlation function for time-resolved local dynamics in molten MgCl2

Journal Article · Tue Oct 01 00:00:00 EDT 2024 · Journal of Molecular Liquids

DOI:https://doi.org/10.1016/j.molliq.2024.125821· OSTI ID:2437780

Banerjee, Shubhojit; Chahal, Rajni; Ivanov, Alexander S.; Roy, Santanu; Bryantsev, Vyacheslav S.; Shinohara, Yuya; Lam, Stephen T.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of Massachusetts, Lowell, MA (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC05-00OR22725; NE0009204

OSTI ID:: 2437780

Alternate ID(s):: OSTI ID: 2476595
OSTI ID: 2480854

Journal Information:: Journal of Molecular Liquids, Journal Name: Journal of Molecular Liquids Journal Issue: C Vol. 412; ISSN 0167-7322

Publisher:: ElsevierCopyright Statement

Country of Publication:: Netherlands

Language:: English

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Van Hove correlation function

Ab initio simulated Van Hove correlation function for time-resolved local dynamics in molten MgCl2

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References (43)

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