A Density-Functional Theory Structural Database for Discovery of Novel Actinide Waste Forms

Christian, Matthew S.; Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; zur Loye, Hans-Conrad; Besmann, Theodore M.

doi:10.1021/acs.cgd.1c00494

A Density-Functional Theory Structural Database for Discovery of Novel Actinide Waste Forms

Journal Article · 03 August 2021 · Crystal Growth and Design

DOI:https://doi.org/10.1021/acs.cgd.1c00494· OSTI ID:1852319

^[1]; ^[2]; ^[3]; ^[2]; ^[2]; Besmann, Theodore M. ^[1]

Center for Hierarchical Waste Form Materials, Columbia, South Carolina 29208, United States; Nuclear Engineering Program, Department of Mechanical Engineering, University of South Carolina, Columbia, South Carolina 29208, United States
Center for Hierarchical Waste Form Materials, Columbia, South Carolina 29208, United States; Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States
Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, United States

Not provided.

Research Organization:: Univ. of South Carolina, Columbia, SC (United States); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0016574; AC02-05CH11231

OSTI ID:: 1852319

Journal Information:: Crystal Growth and Design, Vol. 21, Issue 9; ISSN 1528-7483

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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