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Title: Behaviors of Ce, Pr, and Nd in liquid cesium by ab initio molecular dynamics simulations

Authors:
ORCiD logo [1] ; ORCiD logo [2] ;  [3] ; ORCiD logo [4]
  1. Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210, USA
  2. Department of Mechanical Engineering, Virginia Tech, 635 Prices Fork Road, Blacksburg, Virginia 24061, USA
  3. Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA
  4. Idaho National Laboratory, Materials and Fuels Complex, Idaho Falls, Idaho 83415, USA
Publication Date:
Grant/Contract Number:
NE0008283
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Name: Journal of Applied Physics Journal Volume: 124 Journal Issue: 13; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1475247

Li, Xiang, Zhang, Jinsuo, Unal, Cetin, and Mariani, Robert D. Behaviors of Ce, Pr, and Nd in liquid cesium by ab initio molecular dynamics simulations. United States: N. p., Web. doi:10.1063/1.5041727.
Li, Xiang, Zhang, Jinsuo, Unal, Cetin, & Mariani, Robert D. Behaviors of Ce, Pr, and Nd in liquid cesium by ab initio molecular dynamics simulations. United States. doi:10.1063/1.5041727.
Li, Xiang, Zhang, Jinsuo, Unal, Cetin, and Mariani, Robert D. 2018. "Behaviors of Ce, Pr, and Nd in liquid cesium by ab initio molecular dynamics simulations". United States. doi:10.1063/1.5041727.
@article{osti_1475247,
title = {Behaviors of Ce, Pr, and Nd in liquid cesium by ab initio molecular dynamics simulations},
author = {Li, Xiang and Zhang, Jinsuo and Unal, Cetin and Mariani, Robert D.},
abstractNote = {},
doi = {10.1063/1.5041727},
journal = {Journal of Applied Physics},
number = 13,
volume = 124,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

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