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

Hu, Shenyang Y.; Setyawan, Wahyu; Jiang, Weilin; Henager, Charles H.; Kurtz, Richard J.

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

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Abstract

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

Authors:: Hu, Shenyang Y.; Setyawan, Wahyu; Jiang, Weilin; Henager, Charles H.; Kurtz, Richard J.

Publication Date:: Mon Mar 31 00:00:00 EDT 2014

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1158490

Report Number(s):: PNNL-SA-101947
AT6020100

DOE Contract Number:: AC05-76RL01830

Resource Type:: Book

Resource Relation:: Related Information: Fusion Reactor Materials Program Semiannual Progress Report for the Period Ending December 31, 2013, 55; DOE-ER-0313/55:149-153

Country of Publication:: United States

Language:: English

Citation Formats


                    Hu, Shenyang Y., Setyawan, Wahyu, Jiang, Weilin, Henager, Charles H., and Kurtz, Richard J. FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC.  United States: N. p., 2014. 
        Web.

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                    Hu, Shenyang Y., Setyawan, Wahyu, Jiang, Weilin, Henager, Charles H., & Kurtz, Richard J. FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC.  United States.

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                    Hu, Shenyang Y., Setyawan, Wahyu, Jiang, Weilin, Henager, Charles H., and Kurtz, Richard J. 2014.  
        "FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC".  United States.

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@article{osti_1158490,

  title        = {FIRST-PRINCIPLES CALCULATIONS OF CHARGE STATES AND FORMATION ENERGIES OF Mg TRANSMUTANT IN 3C-SIC},

  author       = {Hu, Shenyang Y. and Setyawan, Wahyu and Jiang, Weilin and Henager, Charles H. and Kurtz, Richard J.},

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

  doi          = {},

  url          = {https://www.osti.gov/biblio/1158490},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Mar 31 00:00:00 EDT 2014},

  month        = {Mon Mar 31 00:00:00 EDT 2014}

}

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