Classical Statistical Mechanics with Nested Sampling
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The work Classical Statistical Mechanics with Nested Sampling represents a distinct intellectual or artistic creation found in Boston University Libraries. This resource is a combination of several types including: Work, Language Material, Books.
The Resource
Classical Statistical Mechanics with Nested Sampling
Resource Information
The work Classical Statistical Mechanics with Nested Sampling represents a distinct intellectual or artistic creation found in Boston University Libraries. This resource is a combination of several types including: Work, Language Material, Books.
 Label
 Classical Statistical Mechanics with Nested Sampling
 Statement of responsibility
 by Robert John Nicholas Baldock
 Subject

 Complex Systems
 Physics
 Statistical Physics and Dynamical Systems
 System theory
 Electronic resources
 Phase transformations (Statistical physics)
 Physics
 Phase Transitions and Multiphase Systems
 Numerical and Computational Physics, Simulation
 System theory
 Phase transformations (Statistical physics)
 Physics
 Phase transformations (Statistical physics)
 Language
 eng
 Summary
 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
 Image bit depth
 0
 LC call number
 QC174.7175.36
 Literary form
 non fiction
 Series statement
 Springer Theses, Recognizing Outstanding Ph.D. Research,
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