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

Title: Rapid Chemical Ordering in Supercooled Liquid Cu46Zr54

Abstract

Evidence for abrupt chemical ordering in a supercooled Cu46Zr54 liquid, obtained from high energy x-ray diffraction in a containerless processing environment, is presented. Relatively sudden changes were observed in the topological and chemical short-range order near 850oC, a temperature significantly below the liquidus and above the glass transition temperatures. A peak in the specific heat was observed with supercooling, with an onset near 850oC, the same temperature as the onset of chemical ordering, and a maximum near 700oC, consistent with the prediction of a molecular dynamics calculation using embedded atom potentials. The dominant short-range order below 850oC is incompatible with that of the primary crystallizing phases. This, and the possible development of strongly bonded, chemically ordered clustersmay explain unlikely bulk metallic glass formation in Cu-Zr and other binary alloys.

Authors:
 [1];  [2];  [2];  [3];  [3];  [4];  [5];  [6];  [6];  [7]; ORCiD logo [7];  [2]
  1. ETH Zurich, Switzerland
  2. Washington University, St. Louis
  3. University of Massachusetts, Amherst
  4. NASA Marshall Space Flight Center, Huntsville, AL
  5. Ames Laboratory
  6. Ames Laboratory and Iowa State University
  7. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1009480
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 83; Journal Issue: 9; Journal ID: ISSN 1098-0121
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALLOYS; ATOMS; FORECASTING; GLASS; PROCESSING; SPECIFIC HEAT; TRANSITION TEMPERATURE; X-RAY DIFFRACTION

Citation Formats

Wessels, Victor, Gangopadhyay, Anup, Sahu, K. K., Hyers, R. W., Canepari, S. M., Rogers, J. R., Kramer, Matthew J., Goldman, A. I., Robinson, D., Lee, Jae W., Morris, James R., and Kelton, K. F. Rapid Chemical Ordering in Supercooled Liquid Cu46Zr54. United States: N. p., 2011. Web. doi:10.1103/PhysRevB.83.094116.
Wessels, Victor, Gangopadhyay, Anup, Sahu, K. K., Hyers, R. W., Canepari, S. M., Rogers, J. R., Kramer, Matthew J., Goldman, A. I., Robinson, D., Lee, Jae W., Morris, James R., & Kelton, K. F. Rapid Chemical Ordering in Supercooled Liquid Cu46Zr54. United States. doi:10.1103/PhysRevB.83.094116.
Wessels, Victor, Gangopadhyay, Anup, Sahu, K. K., Hyers, R. W., Canepari, S. M., Rogers, J. R., Kramer, Matthew J., Goldman, A. I., Robinson, D., Lee, Jae W., Morris, James R., and Kelton, K. F. Tue . "Rapid Chemical Ordering in Supercooled Liquid Cu46Zr54". United States. doi:10.1103/PhysRevB.83.094116.
@article{osti_1009480,
title = {Rapid Chemical Ordering in Supercooled Liquid Cu46Zr54},
author = {Wessels, Victor and Gangopadhyay, Anup and Sahu, K. K. and Hyers, R. W. and Canepari, S. M. and Rogers, J. R. and Kramer, Matthew J. and Goldman, A. I. and Robinson, D. and Lee, Jae W. and Morris, James R. and Kelton, K. F.},
abstractNote = {Evidence for abrupt chemical ordering in a supercooled Cu46Zr54 liquid, obtained from high energy x-ray diffraction in a containerless processing environment, is presented. Relatively sudden changes were observed in the topological and chemical short-range order near 850oC, a temperature significantly below the liquidus and above the glass transition temperatures. A peak in the specific heat was observed with supercooling, with an onset near 850oC, the same temperature as the onset of chemical ordering, and a maximum near 700oC, consistent with the prediction of a molecular dynamics calculation using embedded atom potentials. The dominant short-range order below 850oC is incompatible with that of the primary crystallizing phases. This, and the possible development of strongly bonded, chemically ordered clustersmay explain unlikely bulk metallic glass formation in Cu-Zr and other binary alloys.},
doi = {10.1103/PhysRevB.83.094116},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 9,
volume = 83,
place = {United States},
year = {2011},
month = {3}
}

Works referenced in this record:

Bulk metallic glass formation in the binary Cu–Zr system
journal, May 2004

  • Wang, D.; Li, Y.; Sun, B. B.
  • Applied Physics Letters, Vol. 84, Issue 20
  • DOI: 10.1063/1.1751219

Microscopic origin of slow dynamics at the good glass forming composition range in Zr1−xCux metallic liquids
journal, March 2010

  • Hao, S. G.; Wang, C. Z.; Kramer, M. J.
  • Journal of Applied Physics, Vol. 107, Issue 5
  • DOI: 10.1063/1.3298896

Unusual Glass-Forming Ability of Bulk Amorphous Alloys Based on Ordinary Metal Copper
journal, June 2004


Relationship between structure, dynamics, and mechanical properties in metallic glass-forming alloys
journal, July 2008


A structural model for metallic glasses
journal, September 2004


Reverse Monte Carlo modelling
journal, November 2001


Design of Cu8Zr5-based bulk metallic glasses
journal, June 2006

  • Yang, L.; Xia, J. H.; Wang, Q.
  • Applied Physics Letters, Vol. 88, Issue 24
  • DOI: 10.1063/1.2213020

Effect of local structures and atomic packing on glass forming ability in CuxZr100−x metallic glasses
journal, January 2010

  • Peng, H. L.; Li, M. Z.; Wang, W. H.
  • Applied Physics Letters, Vol. 96, Issue 2
  • DOI: 10.1063/1.3282800

Crystallization processes in amorphous Zr54Cu46 alloy
journal, October 2002


Experimental and computer simulation determination of the structural changes occurring through the liquid–glass transition in Cu–Zr alloys
journal, October 2010


Icosahedral ordering in Cu60Zr40 metallic glass: Molecular dynamics simulations
journal, September 2009


Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
journal, September 1987

  • Honeycutt, J. Dana.; Andersen, Hans C.
  • The Journal of Physical Chemistry, Vol. 91, Issue 19, p. 4950-4963
  • DOI: 10.1021/j100303a014

Study of the local structure of CuZr amorphous alloys by exafs. Effect of a structural relaxation
journal, June 1984


Ni–Ta binary bulk metallic glasses
journal, July 2010


Comparison of bulk metallic glass formation between Cu-Hf binary and Cu-Hf-Al ternary alloys
journal, January 2009


On the microstructure of the Cu65Zr35 and Cu35Zr65 metallic glasses
journal, January 2010


Matching Glass-Forming Ability with the Density of the Amorphous Phase
journal, December 2008


Fluid flow effects in levitated droplets
journal, January 2005


Atomic packing and short-to-medium-range order in metallic glasses
journal, January 2006

  • Sheng, H. W.; Luo, W. K.; Alamgir, F. M.
  • Nature, Vol. 439, Issue 7075
  • DOI: 10.1038/nature04421

Beamline electrostatic levitator for in situ high energy x-ray diffraction studies of levitated solids and liquids
journal, July 2005

  • Gangopadhyay, A. K.; Lee, G. W.; Kelton, K. F.
  • Review of Scientific Instruments, Vol. 76, Issue 7
  • DOI: 10.1063/1.1932447

Non-equilibrium solidification of undercooled metallic metls
journal, August 1994


Binary Ni–Nb bulk metallic glasses
journal, January 2006

  • Xia, L.; Li, W. H.; Fang, S. S.
  • Journal of Applied Physics, Vol. 99, Issue 2
  • DOI: 10.1063/1.2158130

Roles of local icosahedral chemical ordering in glass and quasicrystal formation in metallic glass formers
journal, July 2003


Clustered crystalline structures as glassy phase approximants
journal, July 2009


Theory of the Structure Factor of Metallic Glasses
journal, November 1984


Characterization and application of a GE amorphous silicon flat panel detector in a synchrotron light source
journal, November 2007

  • Lee, J. H.; Almer, J.; Aydιner, C.
  • Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 582, Issue 1
  • DOI: 10.1016/j.nima.2007.08.103

Homophase-fluctuation-mediated mechanism of nucleation in multicomponent liquid alloys and glass-forming ability
journal, August 2001


PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data
journal, July 2004

  • Qiu, Xiangyun; Thompson, Jeroen W.; Billinge, Simon J. L.
  • Journal of Applied Crystallography, Vol. 37, Issue 4, p. 678-678
  • DOI: 10.1107/S0021889804011744

Thermodynamics and Kinetics of Bulk Metallic Glass
journal, August 2007


A new structural model for transition metal–metalloid glasses
journal, November 1978


Description of chemical ordering in amorphous alloys
journal, January 1981


Icosahedral Order, Frustration, and the Glass Transition: Evidence from Time-Dependent Nucleation and Supercooled Liquid Structure Studies
journal, February 2009


Efficient local atomic packing in metallic glasses and its correlation with glass-forming ability
journal, July 2009


The frustration-based approach of supercooled liquids and the glass transition: a review and critical assessment
journal, December 2005


Using atomistic computer simulations to analyze x-ray diffraction data from metallic glasses
journal, August 2007

  • Mendelev, M. I.; Sordelet, D. J.; Kramer, M. J.
  • Journal of Applied Physics, Vol. 102, Issue 4
  • DOI: 10.1063/1.2769157

Neutron and X-ray diffraction studies of the structure of non-crystalline materials
journal, November 1985


Structural heterogeneity and medium-range order in Zr x Cu 100 x metallic glasses
journal, November 2009