Übersicht			Auf mobile öffnen

Lieferstatus:	Auf Bestellung (Lieferzeit unbekannt)
Veröffentlichung:	November 2017
Genre:	Naturwissensch., Medizin, Technik
	B / Complex systems / Dynamical systems / Dynamics & statics / Mathematical physics / Numerical and Computational Physics, Simulation / Phase transitions (Statistical physics) / Phase Transitions and Multiphase Systems / Physics / Physics and Astronomy / Statistical physics / Statistical Physics and Dynamical Systems / Theoretical, Mathematical and Computational Physics
ISBN:	9783319667683
EAN-Code:	9783319667683
Verlag:	Springer Nature EN
Einband:	Gebunden
Sprache:	English
Serie:	Springer Theses
Dimensionen:	H 235 mm / B 155 mm / D
Gewicht:	3613 gr
Seiten:	144
Illustration:	XII, 144 p. 30 illus., 25 illus. in color., schwarz-weiss Illustrationen, farbige Illustrationen
Bewertung:	Titel bewerten / Meinung schreiben

Inhalt:

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.