Journal article

First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute

HO Nam, A Bengtson, K Vortler, S Saha, R Sakidja, D Morgan

Journal of Nuclear Materials | ELSEVIER | Published : 2014

University of Melbourne Researchers

Grants

Awarded by DOE Office of Nuclear Energy's Nuclear Energy University Programs


Awarded by Extreme Science and Engineering Discovery Environment (XSEDE) - National Science Foundation


Funding Acknowledgements

This research was performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs (NEUP 10-100). The authors acknowledge the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant number OCI-1053575. The authors also thank Christopher Woodward, who provided advice on running first-principles molecular dynamics simulations, including the addition of the kinetic energy term in VASP-MD.