15 citations · 19 across the 2 of their papers we have counts for
5 papers
Atomic diffusion in alpha-iron across the Curie point: an effcient and transferable ab-initio-based modelling approach
Anton Schneider, Chu Chun Fu, Frederic Soisson +1
An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address thes…
Effective interaction model for coupled magnetism and phase stability in bcc Fe-Co systems
Van-Truong Tran, Chu-Chun Fu, Anton Schneider
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content…
Predicting magnetization of ferromagnetic binary Fe alloys from chemical short range order
Van-Truong Tran, Chu-Chun Fu, Kangming Li
Among the ferromagnetic binary alloys, body centered cubic (bcc) Fe-Co is the one showing the highest magnetization. It is known experimentally that ordered Fe-Co structures show a…
Interatomic Fe-H potential for irradiation and embrittlement simulations
Pekko Kuopanportti, Erin Hayward, Chu-Chun Fu +2
The behavior of hydrogen in iron and iron alloys is of interest in many fields of physics and materials science. To enable large-scale molecular dynamics simulations of systems wit…
Interplay between magnetism and energetics in FeCr alloys from a predictive non-collinear magnetic tight-binding model
R Soulairol, C Barreteau, Chu-Chun Fu
Magnetism is a key driving force controlling several thermodynamic and kinetic properties of Fe-Cr systems. We present a newly-developed TB model for Fe-Cr, where magnetism is trea…