FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC

March 31, 2014

Book Chapter

FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC

Abstract

To investigate the thermodynamic and kinetic properties of various transmutants in 3C-SiC using density functional theory.

Revised: July 25, 2020 | Published: March 31, 2014

Citation

Hu S.Y., W. Setyawan, W. Jiang, C.H. Henager, and R.J. Kurtz. 2014. FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC. In Fusion Reactor Materials Program Semiannual Progress Report for the Period Ending December 31, 2013. 149-153. Oak Ridge, Tennessee:Oak Ridge National Laboratory. PNNL-SA-101947.