Development and Applications of Theoretical Algorithms for Simulations of Materials at Extreme Conditions.
By: Mosyagin, Igor.
Material type:
BookSeries: Link�oping Studies in Science and Technology. Dissertations Series: Publisher: Link�oping : Linkopings Universitet, 2017Copyright date: �2017Edition: 1st ed.Description: 1 online resource (87 pages).Content type: text Media type: computer Carrier type: online resourceISBN: 9789176855430.Genre/Form: Electronic books.Online resources: Click to View | Item type | Current location | Collection | Call number | Copy number | Status | Date due | Item holds |
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Intro -- Introduction -- Computer simulations in theoretical physics -- Materials of study -- Study of materials at extreme conditions -- Methods -- Density functional theory -- van der Waals corrections -- Equation of state -- Elasticity theory -- Non-linear elasticity -- Molecular dynamics -- Temperature-dependent effective potential method -- Algorithms -- Computational algorithm for temperature-dependent effective potential method -- Higher-order elastic constants computational algorithm -- Applications for studies of specific materials and properties -- Equation of state of hexagonal close-packed iron at 2000 K -- Elastic properties of Nb, Ta, Mo -- Effect of van der Waals corrections on the description of graphite and diamond -- Conclusion -- Papers and contributions.
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Electronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2023. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.
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