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

Title: Liquid-to-liquid crossover in the GaIn eutectic alloy

Abstract

Liquid-liquid crossover is promising and closely related to the atomic dynamics during heating and cooling processes. Here we reveal a reversible structural crossover in the liquid Ga85.8In14.2 eutectic alloys by using in situ synchrotron x-ray diffraction and ab initio molecular dynamics simulation. A kink always appears on the temperature dependent behaviors of density, ratio of the second peak position to the first in the pair correlation function, coordination number, heat capacity, free energy, and atomic diffusivity in the temperature range of about 400–550 K. It is likely ascribed to atomic rearrangements of Ga and In atoms from a relative random packing at high temperatures to a relative nonuniform packing at low temperatures, in which In atoms prefer to have more In neighbors. This observation will promote more understanding of the liquid structure of eutectic alloys

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
National Key Research and Development Program of China; Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China (NNSFC); USDOE Office of Science - Office of Basic Energy Sciences - Scientific User Facilities Division
OSTI Identifier:
1392447
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 95; Journal Issue: 22; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

Citation Formats

Yu, Q., Wang, X. D., Su, Y., Cao, Q. P., Ren, Y., Zhang, D. X., and Jiang, J. Z. Liquid-to-liquid crossover in the GaIn eutectic alloy. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.224203.
Yu, Q., Wang, X. D., Su, Y., Cao, Q. P., Ren, Y., Zhang, D. X., & Jiang, J. Z. Liquid-to-liquid crossover in the GaIn eutectic alloy. United States. doi:10.1103/PhysRevB.95.224203.
Yu, Q., Wang, X. D., Su, Y., Cao, Q. P., Ren, Y., Zhang, D. X., and Jiang, J. Z. Thu . "Liquid-to-liquid crossover in the GaIn eutectic alloy". United States. doi:10.1103/PhysRevB.95.224203.
@article{osti_1392447,
title = {Liquid-to-liquid crossover in the GaIn eutectic alloy},
author = {Yu, Q. and Wang, X. D. and Su, Y. and Cao, Q. P. and Ren, Y. and Zhang, D. X. and Jiang, J. Z.},
abstractNote = {Liquid-liquid crossover is promising and closely related to the atomic dynamics during heating and cooling processes. Here we reveal a reversible structural crossover in the liquid Ga85.8In14.2 eutectic alloys by using in situ synchrotron x-ray diffraction and ab initio molecular dynamics simulation. A kink always appears on the temperature dependent behaviors of density, ratio of the second peak position to the first in the pair correlation function, coordination number, heat capacity, free energy, and atomic diffusivity in the temperature range of about 400–550 K. It is likely ascribed to atomic rearrangements of Ga and In atoms from a relative random packing at high temperatures to a relative nonuniform packing at low temperatures, in which In atoms prefer to have more In neighbors. This observation will promote more understanding of the liquid structure of eutectic alloys},
doi = {10.1103/PhysRevB.95.224203},
journal = {Physical Review B},
issn = {2469-9950},
number = 22,
volume = 95,
place = {United States},
year = {2017},
month = {6}
}

Works referenced in this record:

3D Printing of Free Standing Liquid Metal Microstructures
journal, July 2013


Evidence of liquid–liquid transition in glass-forming La50Al35Ni15 melt above liquidus temperature
journal, July 2015

  • Xu, Wei; Sandor, Magdalena T.; Yu, Yao
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8696

Liquid-Liquid Phase Transformation in Carbon
journal, June 1999


Projector augmented-wave method
journal, December 1994


Thermodynamic determination of fragility in liquids and a fragile-to-strong liquid transition in water
journal, April 1999

  • Ito, Kaori; Moynihan, Cornelius T.; Angell, C. Austen
  • Nature, Vol. 398, Issue 6727
  • DOI: 10.1038/19042

Detection of First-Order Liquid/Liquid Phase Transitions in Yttrium Oxide-Aluminum Oxide Melts
journal, October 2008


General view of a liquid-liquid phase transition
journal, November 2000


Phase behaviour of metastable water
journal, November 1992

  • Poole, Peter H.; Sciortino, Francesco; Essmann, Ulrich
  • Nature, Vol. 360, Issue 6402
  • DOI: 10.1038/360324a0

Microscopic identification of the order parameter governing liquid–liquid transition in a molecular liquid
journal, April 2015

  • Murata, Ken-ichiro; Tanaka, Hajime
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 19
  • DOI: 10.1073/pnas.1501149112

Pressure Dependences of the Melting Temperature of Graphite and the Electrical Resistivity of Liquid Carbon
journal, September 1997


PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions
journal, March 2013


Evidence of the existence of the low-density liquid phase in supercooled, confined water
journal, December 2006

  • Mallamace, F.; Broccio, M.; Corsaro, C.
  • Proceedings of the National Academy of Sciences, Vol. 104, Issue 2
  • DOI: 10.1073/pnas.0607138104

Nature of the First-Order Phase Transition in Fluid Phosphorus at High Temperature and Pressure
journal, June 2003


Modelling the structures of amorphous metals and alloys
journal, March 1977


First-Order Liquid-Liquid Phase Transition in Cerium
journal, March 2013


Liquid-Liquid Transition in Supercooled Silicon Determined by First-Principles Simulation
journal, February 2009


Statistical thermodynamics of the cluster solid-liquid transition
journal, September 1990


The reversibility and first-order nature of liquid–liquid transition in a molecular liquid
journal, November 2016

  • Kobayashi, Mika; Tanaka, Hajime
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms13438

A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

  • Nosé, Shuichi
  • The Journal of Chemical Physics, Vol. 81, Issue 1
  • DOI: 10.1063/1.447334

Polymorphic Phase Transitions in Liquids and Glasses
journal, January 1997


Fragile-to-strong transition and polyamorphism in the energy landscape of liquid silica
journal, August 2001

  • Saika-Voivod, Ivan; Poole, Peter H.; Sciortino, Francesco
  • Nature, Vol. 412, Issue 6846
  • DOI: 10.1038/35087524

Electrical, thermal, and species transport properties of liquid eutectic Ga-In and Ga-In-Sn from first principles
journal, February 2014

  • Yu, Seungho; Kaviany, Massoud
  • The Journal of Chemical Physics, Vol. 140, Issue 6
  • DOI: 10.1063/1.4865105

Bond-orientational order in liquids and glasses
journal, July 1983

  • Steinhardt, Paul J.; Nelson, David R.; Ronchetti, Marco
  • Physical Review B, Vol. 28, Issue 2
  • DOI: 10.1103/PhysRevB.28.784

Liquid–liquid phase transition in supercooled silicon
journal, October 2003

  • Sastry, Srikanth; Austen Angell, C.
  • Nature Materials, Vol. 2, Issue 11
  • DOI: 10.1038/nmat994

Liquid–liquid critical point in supercooled silicon
journal, May 2011

  • Vasisht, Vishwas V.; Saw, Shibu; Sastry, Srikanth
  • Nature Physics, Vol. 7, Issue 7
  • DOI: 10.1038/nphys1993

Macroscopic Separation of Dense Fluid Phase and Liquid Phase of Phosphorus
journal, October 2004


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Liquid-Liquid Phase Transformation in Silicon: Evidence from First-Principles Molecular Dynamics Simulations
journal, November 2007


Temperature-dependent structure evolution in liquid gallium
journal, April 2017


The relationship between liquid, supercooled and glassy water
journal, November 1998

  • Mishima, Osamu; Stanley, H. Eugene
  • Nature, Vol. 396, Issue 6709
  • DOI: 10.1038/24540

Canonical dynamics: Equilibrium phase-space distributions
journal, March 1985


Random Packings and the Structure of Simple Liquids. I. The Geometry of Random Close Packing
journal, November 1970

  • Finney, J. L.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 319, Issue 1539
  • DOI: 10.1098/rspa.1970.0189

GaInSn usage in the research laboratory
journal, May 2008

  • Morley, N. B.; Burris, J.; Cadwallader, L. C.
  • Review of Scientific Instruments, Vol. 79, Issue 5
  • DOI: 10.1063/1.2930813

Transformable liquid-metal nanomedicine
journal, December 2015

  • Lu, Yue; Hu, Quanyin; Lin, Yiliang
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms10066

Probing the structure of a liquid metal during vitrification
journal, April 2015


Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

  • Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
  • High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
  • DOI: 10.1080/08957959608201408

The liquid-liquid phase transition in silicon revealed by snapshots of valence electrons
journal, August 2010

  • Beye, M.; Sorgenfrei, F.; Schlotter, W. F.
  • Proceedings of the National Academy of Sciences, Vol. 107, Issue 39
  • DOI: 10.1073/pnas.1006499107