Publikation: Dissertationsschrift

High-pressure equations of state and phase diagrams of molecular H-C-N-O compounds

Grunddaten
Link
Abstract
Autoren
Einrichtung

Grunddaten

Titel	High-pressure equations of state and phase diagrams of molecular H-C-N-O compounds
Erscheinungsjahr	2016
Verlag	Universität Rostock
Verlagsort	Rostock
Publikationsform	Elektronische Ressource
Publikationsart	Dissertationsschrift
Sprache	Englisch
Letzte Änderung	08.07.2017 05:04:37
Bearbeitungsstatus	durch UB Rostock abschließend validiert
Dauerhafte URL	http://purl.uni-rostock.de/fodb/pub/54870
Links zu Katalogen

Abstract

The thermodynamic description of molecular systems composed of water, ammonia, and methane at high pressure up to 1 TPa is the subject of this thesis. The focus lies on the calculation of equations of state, phase diagrams, and their characterization by employing the quantum-statistical method density functional theory molecular dynamics. In particular superionic phases are investigated using evolutionary structure searching and the linear mixing approximation is validated. The obtained simulation results serve as input for modeling the interior structure of giant planets such as Uranus.

Autor

Bethkenhagen, Mandy

Externer Link

Beschreibung	Link
Link zur Online-Ressource (kostenfrei zugänglich ohne Registrierung)	http://rosdok.uni-rostock.de/resolve/urn/urn:nbn:de:gbv:28-diss2017-0084-9

Einrichtung

MNF/Institut für Physik (IfPH)