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Title: A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals

Authors:
 [1];  [1]
  1. Division of Materials Sciences and Engineering, Ames Laboratory, Ames, Iowa 50011, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1247611
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 144 Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Wilson, S. R., and Mendelev, M. I. A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals. United States: N. p., 2016. Web. doi:10.1063/1.4946032.
Wilson, S. R., & Mendelev, M. I. A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals. United States. https://doi.org/10.1063/1.4946032
Wilson, S. R., and Mendelev, M. I. Thu . "A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals". United States. https://doi.org/10.1063/1.4946032.
@article{osti_1247611,
title = {A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals},
author = {Wilson, S. R. and Mendelev, M. I.},
abstractNote = {},
doi = {10.1063/1.4946032},
journal = {The Journal of Chemical Physics},
number = 14,
volume = 144,
place = {United States},
year = {Thu Apr 14 00:00:00 EDT 2016},
month = {Thu Apr 14 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1063/1.4946032

Citation Metrics:
Cited by: 32 works
Citation information provided by
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Works referenced in this record:

A unified relation for the solid-liquid interface free energy of pure FCC, BCC, and HCP metals
journal, April 2016

  • Wilson, S. R.; Mendelev, M. I.
  • The Journal of Chemical Physics, Vol. 144, Issue 14
  • DOI: 10.1063/1.4946032

Atomistic and continuum modeling of dendritic solidification
journal, September 2003


Anomalously slow crystal growth of the glass-forming alloy CuZr
journal, April 2013

  • Tang, Chunguang; Harrowell, Peter
  • Nature Materials, Vol. 12, Issue 6
  • DOI: 10.1038/nmat3631

Hard spheres revisited: Accurate calculation of the solid–liquid interfacial free energy
journal, December 2010

  • Davidchack, Ruslan L.
  • The Journal of Chemical Physics, Vol. 133, Issue 23
  • DOI: 10.1063/1.3514144

Method for Computing the Anisotropy of the Solid-Liquid Interfacial Free Energy
journal, June 2001


Solid-liquid interface free energies of pure bcc metals and B2 phases
journal, April 2015

  • Wilson, S. R.; Gunawardana, K. G. S. H.; Mendelev, M. I.
  • The Journal of Chemical Physics, Vol. 142, Issue 13
  • DOI: 10.1063/1.4916741

Correlation functions in the capillary wave model of the liquid–vapor interface
journal, January 1985

  • Bedeaux, Dick; Weeks, John D.
  • The Journal of Chemical Physics, Vol. 82, Issue 2
  • DOI: 10.1063/1.448474

Molecular-dynamics study of solid–liquid interface migration in fcc metals
journal, September 2010

  • Mendelev, M. I.; Rahman, M. J.; Hoyt, J. J.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 7
  • DOI: 10.1088/0965-0393/18/7/074002

Dependence of solid–liquid interface free energy on liquid structure
journal, July 2014

  • Wilson, S. R.; Mendelev, M. I.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 22, Issue 6
  • DOI: 10.1088/0965-0393/22/6/065004

Microscopic Observation of the Solidification of Small Metal Droplets
journal, August 1950

  • Turnbull, D.; Cech, R. E.
  • Journal of Applied Physics, Vol. 21, Issue 8
  • DOI: 10.1063/1.1699763

Entropy and Molecular Correlation Functions in Open Systems. II Two‐ and Three‐Body Correlations
journal, September 1971

  • Mountain, Raymond D.; Raveché, Harold J.
  • The Journal of Chemical Physics, Vol. 55, Issue 5
  • DOI: 10.1063/1.1676400

The solid–liquid interfacial free energy of close-packed metals: Hard-spheres and the Turnbull coefficient
journal, August 2001

  • Laird, Brian B.
  • The Journal of Chemical Physics, Vol. 115, Issue 7
  • DOI: 10.1063/1.1391481

A structural model for the solid-liquid interface in monatomic systems
journal, June 1975


Structure and thermodynamics of the liquid–vapor interface
journal, October 1977

  • Weeks, John D.
  • The Journal of Chemical Physics, Vol. 67, Issue 7
  • DOI: 10.1063/1.435276

Development of an interatomic potential for the simulation of phase transformations in zirconium
journal, May 2007


The solid–liquid interfacial energy of metals: calculations versus measurements
journal, April 2002


The surface tension in a structural model for the solid-liquid interface
journal, January 1976


The free energy of the crystal-melt interface from the radial distribution function
journal, December 1971


Ginzburg-Landau theory of crystalline anisotropy for bcc-liquid interfaces
journal, March 2006


Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg
journal, January 2006


Interfacial Density Profile for Fluids in the Critical Region
journal, October 1965


Considerations for choosing and using force fields and interatomic potentials in materials science and engineering
journal, December 2013

  • Becker, Chandler A.; Tavazza, Francesca; Trautt, Zachary T.
  • Current Opinion in Solid State and Materials Science, Vol. 17, Issue 6
  • DOI: 10.1016/j.cossms.2013.10.001

Asperity contacts at the nanoscale: Comparison of Ru and Au
journal, January 2008

  • Fortini, Andrea; Mendelev, Mikhail I.; Buldyrev, Sergey
  • Journal of Applied Physics, Vol. 104, Issue 7
  • DOI: 10.1063/1.2991301

Formation of Crystal Nuclei in Liquid Metals
journal, October 1950


Adjusting the melting point of a model system via Gibbs-Duhem integration: Application to a model of aluminum
journal, December 2000


Two-phase solid–liquid coexistence of Ni, Cu, and Al by molecular dynamics simulations using the modified embedded-atom method
journal, March 2015


Calculation of the Crystal-Melt Interfacial Free Energy from Experimental Radial Distribution Function Data
journal, January 1978


Solidification microstructures and solid-state parallels: Recent developments, future directions
journal, February 2009