Probing FeNi Alloys with Atomic Precision

Authors

• Scipio Han, Dartmouth CollegeFollow
• Kaushik Rajkumar Jayaprabha, Dartmouth CollegeFollow
• Xin Qi, Dartmouth CollegeFollow

Files

Student Class

2029

Student Affiliation

Other

First Advisor

Xin Qi

First Advisor Department

Department of Chemistry

Abstract

We compared EAM and MEAM atomic potentials for modeling FeNi (tetrataenite), a rare 50/50 alloy found in meteorites. Picking 4 potentials, we calculated minimum lattice constants and order-disorder transition temperatures. MEAM potentials accurately predicted the experimental transition temperature, confirming that MEAM better captures FeNi's directional bonding.

Publication Date

2026

Disciplines

Computational Chemistry | Materials Chemistry

Dartmouth Digital Commons Citation

Han, Scipio; Rajkumar Jayaprabha, Kaushik; and Qi, Xin, "Probing FeNi Alloys with Atomic Precision" (2026). Wetterhahn Science Symposium Posters. 6.
https://digitalcommons.dartmouth.edu/wetterhahnsymposiumposters/6