Consortium for Advanced Simulation of Light Weight Reactors

Works Published in 2011

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Displaying all 7 works

Sorted by most recent date added to the index first, which may not be the same as publication date order.

2011 journal article

Electronic structure of Cd, In, Sn substitutional Defects in GaSe

In, Sn Substitutional Defects in GaSe', MRS Proceedings, 994.

By: Z. Rak*, S. Mahanti*, K. Mandal* & N. Fernelius*

Source: ORCID
Added: September 11, 2019

2011 journal article

Electronic structure and energetics of tetragonal SrCuO2and its high-pressure superstructure phase

Journal of Physics-Condensed Matter, 23(46), 465503.

TL;DR: The detailed analysis of the electronic band structures of the simple tetragonal and superstructure phases suggests that the out-of-plane buckling of the O atoms in the superstructure leads to significant decrease in the O p-Cu d orbital overlap, allowing the energy of the system to be lowered, which is necessary for the structural stability. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: September 11, 2019

2011 journal article

Role of iron in the incorporation of uranium in ferric garnet matrices

Physical Review B, 84(15).

Contributors: Z. Rak*, R. Ewing* & U. Becker*

Source: ORCID
Added: September 11, 2019

2011 journal article

First-principles investigation of Ca-3(Ti, Zr, Hf, Sn)(2)Fe2SiO12 garnet structure for incorporation of actinides

Physical Review B, 83(15).

Contributors: Z. Rak*, R. Ewing* & U. Becker*

Source: ORCID
Added: September 11, 2019

2011 journal article

Actinide incorporation into uranyl alteration phases and garnets

Abstracts of Papers of the American Chemical Society, 242.

By: U. Becker, L. Shuller, R. Ewing & Z. Rak

Contributors: U. Becker, L. Shuller, R. Ewing & Z. Rak

Source: ORCID
Added: September 11, 2019

2011 journal article

Actinide adsorption onto mineral surfaces: A quantum-mechanical investigation

Abstracts of Papers of the American Chemical Society, 242.

By: L. Shuller, D. Renock, Z. Rak, S. Fernando, I. Dzulkifli, R. Ewing, U. Becker

Contributors: L. Shuller, D. Renock, Z. Rak, S. Fernando, I. Dzulkifli, R. Ewing, U. Becker

Source: ORCID
Added: September 11, 2019

2011 journal article

Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet structure

Abstracts of Papers of the American Chemical Society, 241.

By: Z. Rak, R. Ewing & U. Becker

Contributors: Z. Rak, R. Ewing & U. Becker

Source: ORCID
Added: September 11, 2019

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