Robert John Nicholas Baldock (19 results)
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Taschenbuch. Condition: Neu. Classical Statistical Mechanics with Nested Sampling | Robert John Nicholas Baldock | Taschenbuch | Springer Theses | xii | Englisch | 2018 | Springer | EAN 9783319883175 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[d…ot]com | Anbieter: preigu.
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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - This thesis develops a nested sampling algorithm into a black box tool for directly calculating the partition function, and thus the complete phase diagram of a material, from the interatomic potential energy function. It represents a significant s…tep forward in our ability to accurately describe the finite temperature properties of materials. In principle, the macroscopic phases of matter are related to the microscopic interactions of atoms by statistical mechanics and the partition function. In practice, direct calculation of the partition function has proved infeasible for realistic models of atomic interactions, even with modern atomistic simulation methods. The thesis also shows how the output of nested sampling calculations can be processed to calculate the complete PVT (pressure-volume-temperature) equation of state for a material, and applies the nested sampling algorithm to calculate the pressure-temperature phase diagrams of aluminium and a model binary alloy.
Language: English
Published by Springer International Publishing 2017
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Buch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - This thesis develops a nested sampling algorithm into a black box tool for directly calculating the partition function, and thus the complete phase diagram of a material, from the interatomic potential energy function. It represents a significant step for…ward in our ability to accurately describe the finite temperature properties of materials. In principle, the macroscopic phases of matter are related to the microscopic interactions of atoms by statistical mechanics and the partition function. In practice, direct calculation of the partition function has proved infeasible for realistic models of atomic interactions, even with modern atomistic simulation methods. The thesis also shows how the output of nested sampling calculations can be processed to calculate the complete PVT (pressure-volume-temperature) equation of state for a material, and applies the nested sampling algorithm to calculate the pressure-temperature phase diagrams of aluminium and a model binary alloy.
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Published by Springer 2018
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Published by Springer International Publishing Sep 2018 2018
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Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -This thesis develops a nested sampling algorithm into a black box tool for directly calculating the partition function, and thus the complete phase diagram of a material, from the interatomic potential energy function. It represents… a significant step forward in our ability to accurately describe the finite temperature properties of materials. In principle, the macroscopic phases of matter are related to the microscopic interactions of atoms by statistical mechanics and the partition function. In practice, direct calculation of the partition function has proved infeasible for realistic models of atomic interactions, even with modern atomistic simulation methods. The thesis also shows how the output of nested sampling calculations can be processed to calculate the complete PVT (pressure-volume-temperature) equation of state for a material, and applies the nested sampling algorithm to calculate the pressure-temperature phase diagrams of aluminium and a model binary alloy. 156 pp. Englisch.
Language: English
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Published by Springer 2017
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Published by Springer 2018
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Published by Springer, Springer Sep 2018 2018
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Taschenbuch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Nominated as an outstanding PhD thesis by the University of Cambridge, UKSpringer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 156 pp. Englisch.
Language: English
Published by Springer, Springer Nov 2017 2017
Series: Springer Theses, Book 380 of 797. Book 380 of 797 - Springer Theses
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Buch. Condition: Neu. This item is printed on demand - Print on Demand Titel. Neuware -Nominated as an outstanding PhD thesis by the University of Cambridge, UKSpringer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 156 pp. Englisch.
