Grid'5000 experiment

Jump to: navigation, search

study of the quaternary Ni/Nb/Fe/Cr phase diagram (Networking)

Conducted by

Damien Connétable

Description

We propose to simulate the quaternary phase diagram of Ni-Nb-Fe-Cr by means of CALPHAD-type assessment. Emphasis was put on the phases that are stable in different ternary phase diagrams (Fe-Ni-Nb, Fe-Ni-Cr, Fe-Nb-Cr, Ni-Nb-Cr), namely fcc-A1, bcc-A2, C14-laves, D85, L12-fcc. We took also into account metastable C15-laves and D022-ortho. Besides ab initio calculations have been performed using VASP package in order to help for estimating enthalpies of formation of some CEF compounds.

Status

achieved

Resources

  • Nodes involved: 10
  • Sites involved: 1
  • Minimum walltime: 4h
  • Batch mode: yes
  • Use kadeploy: no

Tools used

VASP

Results

Not yet

Shared by: Damien Connétable
Last update: 2008-11-17 15:10:25
Experiment #479

Personal tools
Namespaces

Variants
Views
Actions
Public Portal
Users Portal
Admin portal
Wiki special pages
Toolbox