Search for dissertations about: "atom-in-jellium"

Found 2 swedish dissertations containing the word atom-in-jellium.

  2. 1. Interatomic total-energy potentials for atomistic simulations of metallic systems

    Author : Jan Hartford; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; materials science; atom-in-jellium; atomistic approaches; DFT; GGA-PW91; density functional; effective medium theory; EMT; inhomogeneous electron gas; model potential; generalized gradient approximation;

    Abstract : .... READ MORE

  4. 2. Total Energy Calculations for Predictive Modeling of Crystalline Materials Strength

    Author : Jan Hartford; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Materials properties depend on phenomena in a hierarchical order from atomic to macroscopic scales. This thesis studies possibilities for electron-structure and total-energy calculations to provide results that are valuable for the modeling of crystalline materials strength. READ MORE