Browsing Fakultät für Physik (inkl. GAUSS) by Advisor "Teichler, Helmar Prof. Dr."
Now showing items 1-4 of 4
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Computer Simulations for Hydrogen Loaded Palladium Clusters
(2007-08-07)In this work, a new expression for the chemical potential μ of H in Pd is used, which relies on an extension of Widom's particle insertion method. Being an exact expression, this μ contains ... -
Verformungsinduzierte Strukturänderungen bei amorphem Ni0.5Zr0.5 in Molekulardynamik-Simulationen
(2006-11-27)The present work investigates the plastic deformation of metallic glasses by the aid of molecular-dynamic simulations. The parameters for the model system are adapted to those for a NiZr-alloy. ... -
Freie Enthalpie binärer metallischer Legierungsschmelzen: Molekulardynamik Simulationen für NixZr1-x
(2005-01-31)A method to determine the free enthalpy of molecular dynamics simulated binary alloy melts is introduced. Here, first the entropy and free enthalpy of the ordered, intermetallic crystalline A x B 1-x - phases are ... -
Structure and Dynamics of Molecular-Dynamics Simulated Undercooled Ni-Zr-Al Melts
(2001-08-30)Molecular dynamics (MD) simulations are used in this work to model the massive-metallic-glass forming Ni25Zr60Al15 alloy. The applied atomic interaction model predicts radial distribution functions for the glass that ...