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Sinopsis
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.
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Acerca del autor
Robert Baldock completed his doctoral studies in Physics at the University of Cambridge, UK, in the Theory of Condensed Matter Group in the Cavendish Laboratory (supervised by Dr Gábor Csányi and Prof Michael Payne FRS). He is currently a Postdoc at the École Polytechnique Fédérale de Lausanne (EPFL) in Switzerland.
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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.
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Classical Statistical Mechanics with Nested Sampling
Publicado por
Springer International Publishing, 2018
ISBN 10: 3319883178
ISBN 13: 9783319883175
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Librería: moluna, Greven, Alemania
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Classical Statistical Mechanics with Nested Sampling
Publicado por
Springer International Publishing Sep 2018, 2018
ISBN 10: 3319883178
ISBN 13: 9783319883175
Nuevo
Taschenbuch
Librería: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Alemania
Calificación del vendedor: 5 de 5 estrellas
Taschenbuch. Condición: 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. Nº de ref. del artículo: 9783319883175
Cantidad disponible: 2 disponibles
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Classical Statistical Mechanics with Nested Sampling
Publicado por
Springer International Publishing, Springer International Publishing, 2018
ISBN 10: 3319883178
ISBN 13: 9783319883175
Nuevo
Taschenbuch
Librería: AHA-BUCH GmbH, Einbeck, Alemania
Calificación del vendedor: 5 de 5 estrellas
Taschenbuch. Condición: 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 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. Nº de ref. del artículo: 9783319883175
Cantidad disponible: 1 disponibles
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Classical Statistical Mechanics with Nested Sampling
Librería: Books Puddle, New York, NY, Estados Unidos de America
Calificación del vendedor: 4 de 5 estrellas
Condición: New. pp. 156. Nº de ref. del artículo: 26375858169
Cantidad disponible: 4 disponibles
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Classical Statistical Mechanics with Nested Sampling
Publicado por
Springer International Publishing, Springer International Publishing Sep 2018, 2018
ISBN 10: 3319883178
ISBN 13: 9783319883175
Nuevo
Taschenbuch
Librería: buchversandmimpf2000, Emtmannsberg, BAYE, Alemania
Calificación del vendedor: 5 de 5 estrellas
Taschenbuch. Condición: Neu. 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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 156 pp. Englisch. Nº de ref. del artículo: 9783319883175
Cantidad disponible: 2 disponibles
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Classical Statistical Mechanics with Nested Sampling
Impresión bajo demandaLibrería: Majestic Books, Hounslow, Reino Unido
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Condición: New. Print on Demand pp. 156. Nº de ref. del artículo: 370187302
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Classical Statistical Mechanics with Nested Sampling
Impresión bajo demandaLibrería: Biblios, Frankfurt am main, HESSE, Alemania
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Condición: New. PRINT ON DEMAND pp. 156. Nº de ref. del artículo: 18375858163
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Classical Statistical Mechanics with Nested Sampling (Springer Theses)
Librería: Revaluation Books, Exeter, Reino Unido
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Paperback. Condición: Brand New. reprint edition. 156 pages. 9.25x6.10x0.36 inches. In Stock. Nº de ref. del artículo: 3319883178
Cantidad disponible: 1 disponibles