SNIC
SUPR
SNIC SUPR
Calphad calculations for modelling oxidation
Dnr:

SNIC 2018/4-7

Type:

SNAC Small

Principal Investigator:

Torbjörn Jonsson

Affiliation:

Chalmers tekniska högskola

Start Date:

2018-02-27

End Date:

2019-03-01

Primary Classification:

20402: Corrosion Engineering

Allocation

Abstract

Calphad modelling will be used for diffusion simulation of oxidation processes in metallic materials. Due to the heavy equilibiurm calculations required for such simulations, an ordinary computer cannot perform these simulation in an efficient time. Thus, a larger computer with more cores is needed for this project. These software are not installed at C3SE, however, installation is not an issue since the software developers (co-investigators of the project) are member of the project and they will take care of implications needed and the support. In addition, in principle, each license issued for this software just belongs to one single computer and cannot be used by parallel computers. That is why we are applying for a project on the 1 x 1024 GB of RAM computer among all options.