lec24 (2) - MC simulators to get convergence with NN...

Info iconThis preview shows page 1. Sign up to view the full content.

View Full Document Right Arrow Icon
10.675 LECTURE 24 RICK RAJTER 1. Today Surface Phase Diagram V,W interaction parameters E(p) where p=1 is occupied, p=0 is unoccupied E ( p ) = V o + w i p i + w ij p i p j + ijk p i p j p k Where the w terms are the energetics between the set occupancies.
Background image of page 1
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: MC simulators to get convergence with NN energetic interactions. NEB - Nudged Elastic Band Change electronic Structure → alloys strains → additives → → steps Weighted D-band analysis Date : Fall 2004. 1...
View Full Document

This note was uploaded on 11/27/2011 for the course CHEMICAL E 20.410j taught by Professor Rogerd.kamm during the Spring '03 term at MIT.

Ask a homework question - tutors are online