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Title: Experimental determination of the temperature-dependent Van Hove function in a Zr80 Pt20 liquid

Abstract

Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic neutron scattering with the electrostatic levitation technique, the time-dependent pair-distribution function (i.e., the Van Hove function) has been determined for liquid Zr80Pt20. We show that the decay time of the first peak of the Van Hove function is directly related to the Maxwell relaxation time of the liquid, which is proportional to the shear viscosity. This result demonstrates that the local dynamics for increasing or decreasing the coordination number of local clusters by one determines the viscosity at high temperature, supporting earlier predictions from molecular dynamics simulations.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [2]; ORCiD logo [5]
  1. Washington Univ., St. Louis, MO (United States)
  2. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Iowa State Univ., Ames, IA (United States); Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
  5. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Washington Univ., St. Louis, MO (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1607207
Alternate Identifier(s):
OSTI ID: 1600584
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 152; Journal Issue: 7; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Neutron scattering; Liquid metals; Molecular dynamics; Inelastic neutron scattering spectroscopy; Viscosity; Spallation neutron source

Citation Formats

Ashcraft, R., Wang, Z., Abernathy, D. L., Quirinale, D. G., Egami, T., and Kelton, K. F. Experimental determination of the temperature-dependent Van Hove function in a Zr80 Pt20 liquid. United States: N. p., 2020. Web. doi:10.1063/1.5144256.
Ashcraft, R., Wang, Z., Abernathy, D. L., Quirinale, D. G., Egami, T., & Kelton, K. F. Experimental determination of the temperature-dependent Van Hove function in a Zr80 Pt20 liquid. United States. doi:https://doi.org/10.1063/1.5144256
Ashcraft, R., Wang, Z., Abernathy, D. L., Quirinale, D. G., Egami, T., and Kelton, K. F. Fri . "Experimental determination of the temperature-dependent Van Hove function in a Zr80 Pt20 liquid". United States. doi:https://doi.org/10.1063/1.5144256. https://www.osti.gov/servlets/purl/1607207.
@article{osti_1607207,
title = {Experimental determination of the temperature-dependent Van Hove function in a Zr80 Pt20 liquid},
author = {Ashcraft, R. and Wang, Z. and Abernathy, D. L. and Quirinale, D. G. and Egami, T. and Kelton, K. F.},
abstractNote = {Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic neutron scattering with the electrostatic levitation technique, the time-dependent pair-distribution function (i.e., the Van Hove function) has been determined for liquid Zr80Pt20. We show that the decay time of the first peak of the Van Hove function is directly related to the Maxwell relaxation time of the liquid, which is proportional to the shear viscosity. This result demonstrates that the local dynamics for increasing or decreasing the coordination number of local clusters by one determines the viscosity at high temperature, supporting earlier predictions from molecular dynamics simulations.},
doi = {10.1063/1.5144256},
journal = {Journal of Chemical Physics},
number = 7,
volume = 152,
place = {United States},
year = {2020},
month = {2}
}

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