Springer Theses

Classical Statistical Mechanics with Nested Sampling

Authors: Baldock, Robert John Nicholas

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  • Nominated as an outstanding PhD thesis by the University of Cambridge, UK Enables the calculation of partition functions as explicit functions of temperature for realistic models of materials directly from atomic interactions Allows the determination of complete phase diagrams and pressure–volume–temperature equations of state Illustrates the efficiency of the algorithm which paves the way for the automated calculation of phase diagrams 

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eBook 91,62 €
price for Spain (gross)
  • ISBN 978-3-319-66769-0
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Hardcover 114,39 €
price for Spain (gross)
  • ISBN 978-3-319-66768-3
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  • Usually dispatched within 3 to 5 business days.
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Softcover 114,39 €
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  • ISBN 978-3-319-88317-5
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  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
About this book

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.

About the authors

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.

Table of contents (13 chapters)

Table of contents (13 chapters)

Buy this book

eBook 91,62 €
price for Spain (gross)
  • ISBN 978-3-319-66769-0
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 114,39 €
price for Spain (gross)
  • ISBN 978-3-319-66768-3
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
Softcover 114,39 €
price for Spain (gross)
  • ISBN 978-3-319-88317-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
Classical Statistical Mechanics with Nested Sampling
Authors
Series Title
Springer Theses
Copyright
2017
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing AG
eBook ISBN
978-3-319-66769-0
DOI
10.1007/978-3-319-66769-0
Hardcover ISBN
978-3-319-66768-3
Softcover ISBN
978-3-319-88317-5
Series ISSN
2190-5053
Edition Number
1
Number of Pages
XII, 144
Number of Illustrations
5 b/w illustrations, 25 illustrations in colour
Topics