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:
-
[1];
[2];
[3];
[4];
[2];
[5]
- Washington Univ., St. Louis, MO (United States)
- Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- 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
- 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 Laboratory (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. 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. 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 = {Fri Feb 21 00:00:00 EST 2020},
month = {Fri Feb 21 00:00:00 EST 2020}
}
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Works referenced in this record:
Noncontact technique for measuring surface tension and viscosity of molten materials using high temperature electrostatic levitation
journal, June 1999
- Rhim, Won-Kyu; Ohsaka, Kenichi; Paradis, Paul-François
- Review of Scientific Instruments, Vol. 70, Issue 6
Relaxation processes in supercooled liquids
journal, March 1992
- Gotze, W.; Sjogren, L.
- Reports on Progress in Physics, Vol. 55, Issue 3
Correlation of the fragility of metallic liquids with the high temperature structure, volume, and cohesive energy
journal, April 2017
- Gangopadhyay, A. K.; Pueblo, C. E.; Dai, R.
- The Journal of Chemical Physics, Vol. 146, Issue 15
Van Hove correlation functions from coherent neutron inelastic scattering
journal, September 1989
- Dahlborg, U.; Gudowski, W.; Davidovic, M.
- Journal of Physics: Condensed Matter, Vol. 1, Issue 35
Breakdown of the Stokes-Einstein relation in two, three, and four dimensions
journal, March 2013
- Sengupta, Shiladitya; Karmakar, Smarajit; Dasgupta, Chandan
- The Journal of Chemical Physics, Vol. 138, Issue 12
Extracting source parameters from beam monitors on a chopper spectrometer
journal, January 2015
- Abernathy, D. L.; Niedziela, J. L.; Stone, M. B.
- EPJ Web of Conferences, Vol. 83
Temperature Calibration for Optical Pyrometry in Containerless Systems Using Differential Scanning Calorimetry: Application to $$\mathrm{Cu}_{100-x}\mathrm{Zr}_{x}$$ Cu 100 - x Zr x ( $$x=45$$ x = 45 –50)
journal, July 2014
- Bendert, J. C.; Pueblo, C. E.; Veligati, S.
- International Journal of Thermophysics, Vol. 35, Issue 9-10
Electrostatic levitation facility optimized for neutron diffraction studies of high temperature liquids at a spallation neutron source
journal, January 2016
- Mauro, N. A.; Vogt, A. J.; Derendorf, K. S.
- Review of Scientific Instruments, Vol. 87, Issue 1
Design and operation of the wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source
journal, January 2012
- Abernathy, D. L.; Stone, M. B.; Loguillo, M. J.
- Review of Scientific Instruments, Vol. 83, Issue 1
Measurements of structural and chemical order in and liquids
journal, February 2016
- Johnson, M. L.; Blodgett, M. E.; Lokshin, K. A.
- Physical Review B, Vol. 93, Issue 5
Geometric Frustration of Icosahedron in Metallic Glasses
journal, July 2013
- Hirata, A.; Kang, L. J.; Fujita, T.
- Science, Vol. 341, Issue 6144
Development of an electrostatic positioner for space material processing
journal, February 1985
- Rhim, W. K.; Collender, M.; Hyson, M. T.
- Review of Scientific Instruments, Vol. 56, Issue 2
Comparison of constant pressure and constant volume nonequilibrium simulations of sheared model decane
journal, January 1994
- Daivis, Peter J.; Evans, Denis J.
- The Journal of Chemical Physics, Vol. 100, Issue 1
A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984
- Nosé, Shuichi
- The Journal of Chemical Physics, Vol. 81, Issue 1
Seeing real-space dynamics of liquid water through inelastic x-ray scattering
journal, December 2017
- Iwashita, Takuya; Wu, Bin; Chen, Wei-Ren
- Science Advances, Vol. 3, Issue 12
Atomic-level structure and structure–property relationship in metallic glasses
journal, May 2011
- Cheng, Y. Q.; Ma, E.
- Progress in Materials Science, Vol. 56, Issue 4
The dynamic properties of monatomic liquids
journal, April 1975
- Copley, J. R. D.; Lovesey, S. W.
- Reports on Progress in Physics, Vol. 38, Issue 4
Formation of Glasses from Liquids and Biopolymers
journal, March 1995
- Angell, C. A.
- Science, Vol. 267, Issue 5206