CCS and Power Systems

Crosscutting Research - Plant Optimization Technologies

Computational Capabilities for Predictions of Interactions at the Grain Boundary of Refractory Alloy

Performer: CFD Research Corporation

Project No: FE0005867

Project Images

Figure 1. Aluminum diffusion on Fe3 Al(100) surface. The ab initio trained ReaxFF force fields can also illustrate the kinetics of atomistic-scale processes with fair accuracy.

Project Details