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  Details of structure transformations in pure uranium and U-Mo alloys: Insights from classical atomistic simulation

Starikov, S., & Smirnova, D. (2023). Details of structure transformations in pure uranium and U-Mo alloys: Insights from classical atomistic simulation. Journal of Nuclear Materials, 576: 154265. doi:10.1016/j.jnucmat.2023.154265.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000D-5A38-0 Version Permalink: https://hdl.handle.net/21.11116/0000-000D-5A3D-B
Genre: Journal Article

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 Creators:
Starikov, Sergei1, Author
Smirnova, Daria2, Author           
Affiliations:
1Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-University Bochum, Germany, ou_persistent22              
2Microstructure and Mechanics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863344              

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Free keywords: U-Mo alloy, Uranium, Phase transition
 Abstract: A strong anisotropy of interatomic interaction in pure uranium makes possible a variety of feasible structure transformations in this metal. With classical atomistic simulation we consider several unusual aspects of such transformations occurring in pure uranium and U-Mo alloys. A special focus is put on α−γ and γ0−γ transitions, which are discussed in details taking into account their similarity. Regarding the question of γ-phase stabilization, we discuss the quasi-bcc structure of this phase and Elinvar effect seen from calculations of elastic moduli in γ-U-Mo alloys.

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Language(s): eng - English
 Dates: 2023-04-01
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/j.jnucmat.2023.154265
 Degree: -

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Project name : The authors acknowledge Dr. L. Kolotova and Dr. Yu. Lysogorskiy for help with calculations. The calculations were carried out on the computer cluster Vulcan (ICAMS Computing cluster, RUB) and cluster Noctua2 of Paderborn Center for Parallel Computing (project “refall”). Sergei Starikov gratefully acknowledges the financial support under the scope of the DFG program (STA 1732/1-1; No. 453279121).
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Title: Journal of Nuclear Materials
  Abbreviation : J. Nucl. Mater.
Source Genre: Journal
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Publ. Info: Amsterdam : Elsevier B.V.
Pages: 12 Volume / Issue: 576 Sequence Number: 154265 Start / End Page: - Identifier: ISSN: 0022-3115
CoNE: https://pure.mpg.de/cone/journals/resource/954925416962