Title Classical Statistical Mechanics with Nested Sampling Author(s) Baldock, Robert John Nicholas Publication Cham, Springer International Publishing, 2017. Description XII, 144 p. 30 illus., 25 illus. in color : online resource Abstract Note 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 ISBN,Price 9783319667690 Keyword(s) 1. COMPLEX SYSTEMS 2. DYNAMICAL SYSTEMS 3. EBOOK 4. EBOOK - SPRINGER 5. Numerical and Computational Physics, Simulation 6. Phase transitions (Statistical physics) 7. Phase Transitions and Multiphase Systems 8. PHYSICS 9. STATISTICAL PHYSICS 10. Statistical Physics and Dynamical Systems Item Type eBook Multi-Media Links Please Click here for eBook Circulation Data Accession#   Call# Status Issued To Return Due On Physical Location I09034     On Shelf