skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Ideality of liquid structure: A case study for metallic alloy liquids

Abstract

It is difficult to characterize by experiment the structural features of liquids and glasses which lack long-range translational periodicity in the structure. Here, we suggest that the height and shape of the first peak of the structure function S(Q) carry significant information about the nature of the medium-range order and the coherence of density correlations. It is further proposed that they indicate how ideal the liquid structure is. Here, the ideal state is defined by long-range density correlations, not by structural coherence at the atomic level. The analysis is applied to the S(Q) of metallic alloy liquids determined by x-ray diffraction and simulation. Finally, the ideality index defined here may provide a common parameter to characterize structural coherence among various disparate groups of liquids and glasses.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]
  1. Univ. of Tennessee, Knoxville, TN (United States)
  2. Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (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) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1630507
Alternate Identifier(s):
OSTI ID: 1605973
Grant/Contract Number:  
AC05-00OR22725; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 101; Journal Issue: 3; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; amorphous materials; liquid metals; metallic glasses; molecular dynamics; x-ray scattering

Citation Formats

Ryu, Chae Woo, Dmowski, Wojciech, and Egami, Takeshi. Ideality of liquid structure: A case study for metallic alloy liquids. United States: N. p., 2020. Web. doi:10.1103/PhysRevE.101.030601.
Ryu, Chae Woo, Dmowski, Wojciech, & Egami, Takeshi. Ideality of liquid structure: A case study for metallic alloy liquids. United States. doi:https://doi.org/10.1103/PhysRevE.101.030601
Ryu, Chae Woo, Dmowski, Wojciech, and Egami, Takeshi. Mon . "Ideality of liquid structure: A case study for metallic alloy liquids". United States. doi:https://doi.org/10.1103/PhysRevE.101.030601. https://www.osti.gov/servlets/purl/1630507.
@article{osti_1630507,
title = {Ideality of liquid structure: A case study for metallic alloy liquids},
author = {Ryu, Chae Woo and Dmowski, Wojciech and Egami, Takeshi},
abstractNote = {It is difficult to characterize by experiment the structural features of liquids and glasses which lack long-range translational periodicity in the structure. Here, we suggest that the height and shape of the first peak of the structure function S(Q) carry significant information about the nature of the medium-range order and the coherence of density correlations. It is further proposed that they indicate how ideal the liquid structure is. Here, the ideal state is defined by long-range density correlations, not by structural coherence at the atomic level. The analysis is applied to the S(Q) of metallic alloy liquids determined by x-ray diffraction and simulation. Finally, the ideality index defined here may provide a common parameter to characterize structural coherence among various disparate groups of liquids and glasses.},
doi = {10.1103/PhysRevE.101.030601},
journal = {Physical Review E},
number = 3,
volume = 101,
place = {United States},
year = {2020},
month = {3}
}

Works referenced in this record:

An investigation of universal medium range order in metallic glasses
journal, November 1991


The exact expression of the Voigt profile function
journal, May 2005


Origin of the first sharp diffraction peak in the structure factor of covalent glasses
journal, August 1991


Atomic Dynamics in Simple Liquid: de Gennes Narrowing Revisited
journal, March 2018


Local Density Correlations in Liquids
journal, February 2020


Atomic size effect on the formability of metallic glasses
journal, April 1984


Icosahedral Bond Orientational Order in Supercooled Liquids
journal, November 1981


Equipartition theorem and the dynamics of liquids
journal, August 2008


Elementary Excitations and Crossover Phenomenon in Liquids
journal, May 2013


Use of regular polytopes for the mathematical description of the order in amorphous structures
journal, May 1981


Structural defects in amorphous solids Statistical analysis of a computer model
journal, October 1981


Topological versus chemical ordering in network glasses at intermediate and extended length scales
journal, May 2005

  • Salmon, Philip S.; Martin, Richard A.; Mason, Philip E.
  • Nature, Vol. 435, Issue 7038
  • DOI: 10.1038/nature03475

Atomic dynamics in Zr-(Co,Ni)-Al metallic glass-forming liquids
journal, June 2015


The world's biggest glassy alloy ever made
journal, November 2012


Si-centered capped trigonal prism ordering in liquid Pd 82 Si 18 alloy study by first-principles calculations
journal, January 2017


Order, frustration, and defects in liquids and glasses
journal, November 1983


A new structural model for amorphous transition metal silicides, borides, phosphides and carbides
journal, February 1979


A thermodynamic theory of supercooled liquids
journal, September 1995

  • Kivelson, Daniel; Kivelson, Steven A.; Zhao, Xiaolin
  • Physica A: Statistical Mechanics and its Applications, Vol. 219, Issue 1-2
  • DOI: 10.1016/0378-4371(95)00140-3

Curie-Weiss behavior of liquid structure and ideal glass state
journal, December 2019


Atomic transport in dense multicomponent metallic liquids
journal, October 2002


Phase Transitions of the Lennard-Jones System
journal, August 1969


Medium-range order in the cation distribution of a calcium silicate glass
journal, April 1991

  • Gaskell, P. H.; Eckersley, M. C.; Barnes, A. C.
  • Nature, Vol. 350, Issue 6320
  • DOI: 10.1038/350675a0

Origin of the first sharp diffraction peak in glasses
journal, October 2015


Intermediate-range order in glasses and liquids
journal, November 1988