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Title: Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies

Abstract

High-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni 50Zr 50 liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2–B33 transformation is proposed and investigated through further MD simulations.

Authors:
 [1];  [2];  [2];  [2];  [1];  [2]
  1. Ames Lab., Ames, IA (United States). Div. of Materials Sciences and Engineering; Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
  2. Ames Lab., Ames, IA (United States). Div. of Materials Sciences and Engineering
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1233226
Report Number(s):
IS-J-8533
Journal ID: ISSN 0953-8984
DOE Contract Number:
AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physics. Condensed Matter; Journal Volume: 27; Journal Issue: 8
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Quirinale, D. G., Rustan, G. E., Wilson, S. R., Kramer, M. J., Goldman, A. I., and Mendelev, M. I. Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies. United States: N. p., 2015. Web. doi:10.1088/0953-8984/27/8/085004.
Quirinale, D. G., Rustan, G. E., Wilson, S. R., Kramer, M. J., Goldman, A. I., & Mendelev, M. I. Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies. United States. doi:10.1088/0953-8984/27/8/085004.
Quirinale, D. G., Rustan, G. E., Wilson, S. R., Kramer, M. J., Goldman, A. I., and Mendelev, M. I. Wed . "Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies". United States. doi:10.1088/0953-8984/27/8/085004.
@article{osti_1233226,
title = {Appearance of metastable B2 phase during solidification of Ni 50 Zr 50 alloy: electrostatic levitation and molecular dynamics simulation studies},
author = {Quirinale, D. G. and Rustan, G. E. and Wilson, S. R. and Kramer, M. J. and Goldman, A. I. and Mendelev, M. I.},
abstractNote = {High-energy x-ray diffraction measurements of undercooled, electrostatically levitated Ni50Zr50 liquid droplets were performed. The observed solidification pathway proceeded through the nucleation and growth of the metastable B2 phase, which persisted for several seconds before the rapid appearance of the stable B33 phase. This sequence is shown to be consistent with predictions from classical nucleation theory using data obtained from molecular dynamics (MD) simulations. A plausible mechanism for the B2–B33 transformation is proposed and investigated through further MD simulations.},
doi = {10.1088/0953-8984/27/8/085004},
journal = {Journal of Physics. Condensed Matter},
number = 8,
volume = 27,
place = {United States},
year = {Wed Feb 04 00:00:00 EST 2015},
month = {Wed Feb 04 00:00:00 EST 2015}
}