Physical Sciences and Mathematics Commons^™

Electronic Structure Of Superconducting Mgb₂ And Related Binary And Ternary Borides, Nadezhda I. Medvedeva, Alexander L. Ivanovskii, Julia E. Medvedeva, Arthur J. Freeman

Physics Faculty Research & Creative Works

First-principles full potential linear muffin-tin orbital-generalized gradient approximation electronic structure calculations of the new medium-T_c superconductor (MTSC) MgB₂ and related diborides indicate that superconductivity in these compounds is related to the existence of P_x,y-band holes at the γ point. Based on these calculations, we explain the absence of medium-T_c superconductivity for BeB₂, AlB₂, ScB₂, and YB₂. The simulation of a number of MgB₂-based ternary systems using a supercell approach demonstrates that (i) the electron doping of MgB₂ (i.e., MgB_2-yX_y with X=Be, …

Simulation Of Inviscid Multi-Species Plasma Flow, Alexandre Martin, Marcelo Reggio, Jean-Yves Trépanier

Alexandre Martin

A multi-species solver for plasma at thermodynamical equilibrium is developed. A numerical scheme, based on Roe's, is implemented with some modification regarding the average quantities. A perfect gas treatment is carried out for validations, and a quasi-real gas treatment is also presented. The latter takes into account the changes in the composition of the gas caused by fluctuations in temperature and density.

Quantitative Analysis Of Domain Testing Effectiveness., Narendra Koneru

Electronic Theses and Dissertations

The criticality of the applications modeled by the real-time software places stringent requirements on software quality before deploying into real use. Though automated test tools can be used to run a large number of tests efficiently, the functionality of any test tool is not complege without providing a means for analyzing the test results to determine potential problem sub-domains and sub-domains that need to be covered, and estimating the reliability of the modeled system.

This thesis outlines a solution strategy and implementation of that strategy for deriving quantitative metrics from domain testing of real-time control software tested via simulation. The …

Molecular Dynamics Simulation Of Biomolecular Systems, Wilfred Van Gunsteren, Dirk Bakowies, Roland Buergi, Indira Chandrasekhar, Markus Christen, Xavier Daura, Peter Gee, Alice Glaettli, Tomas Hansson, Chris Oostenbrink, Christine Peter, Jed Pitera, Lukas Schuler, Thereza Soares, Haibo Yu

Faculty of Science - Papers (Archive)

The group for computer-aided chemistry at the ETH Zurich focuses its research on the development of methodology to simulate the behavior of biomolecular systems and the use of simulation techniques to analyze and understand biomolecular processes at the atomic level. Here, the current research directions are briefly reviewed and illustrated with a few examples.