'Atomic configuration' presentation slideshows

Norm-conserving pseudopotentials in electronic structure calculations

1.18k views • 78 slides

Thermodynamics and Phase Diagrams from Cluster Expansions

Thermodynamics and Phase Diagrams from Cluster Expansions . Dane Morgan University of Wisconsin, ddmorgan@wisc.edu SUMMER SCHOOL ON COMPUTATIONAL MATERIALS SCIENCE Hands-on introduction to Electronic Structure and Thermodynamics Calculations of Real Materials

954 views • 52 slides

Simulation of displacement cascades in ? -Fe and Fe-10% Cr

Simulation of displacement cascades in ? -Fe and Fe-10% Cr. Terentiev Dmitry and Malerba Lorenzo. Simulation of displacement cascades and their analysis: Fe-Cr vs Fe Study of collisional stage: cascade core, peak time, volume and density vs PKA energy

355 views • 18 slides