Calcite–magnesite solid solutions : using genetic algorithms to understand non-ideality

Allan, N.L., Thomas, L., Hart, J.N. et al. (2 more authors) (2019) Calcite–magnesite solid solutions : using genetic algorithms to understand non-ideality. Physics and Chemistry of Minerals, 46 (2). pp. 193-202. ISSN 0342-1791

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Copyright, Publisher and Additional Information: © Springer-Verlag GmbH Germany, part of Springer Nature 2018. This is an author-produced version of a paper subsequently published in Physics and Chemistry of Minerals. Uploaded in accordance with the publisher's self-archiving policy.
Keywords: Genetic algorithm; Crystal structure prediction; Carbonates; Ab initio methods; Density functional theory; Non-ideal solid solution; Layered crystal structures
Dates:
  • Accepted: 4 August 2018
  • Published (online): 28 August 2018
  • Published: February 2019
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield)
Depositing User: Symplectic Sheffield
Date Deposited: 04 Jul 2019 11:55
Last Modified: 28 Aug 2019 00:43
Status: Published
Publisher: Springer
Refereed: Yes
Identification Number: https://doi.org/10.1007/s00269-018-0997-3
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