Cross phenomena, representing responses of a system to external stimuli, are ubiquitous
from quantum to macro scales. The Onsager theorem is often used to describe them, stating …

We investigate phase stability and vacancy formation in fcc Fe-Ni alloys over a broad
composition-temperature range, via a density functional theory parametrized effective …

The influence of a magnetic transition on Fe and Mn diffusion in bcc Fe–Mn alloys as a
function of Mn concentration is studied combining experimental measurements and DFT …

Predicting atomic diffusion in concentrated magnetic systems is challenging due to thermal
magnetic effects and complex magnetochemical interplay. We propose an efficient approach …

Vacancy is one of the most frequent defects in metals. We study the impacts of magnetism
on vacancy formation properties in fcc Ni, and in bcc and fcc Fe, via density functional theory …

Impacts of Mn alloying on lattice stabilities, magnetic properties, electronic structures of the
bcc and fcc phases and the fcc→ bcc phase transition in Fe 16− x Mn x (x= 0, 1 and 2) alloys …

In this work, we present an improved thermodynamic modeling of the mc_fe multicomponent
database on the Fe-rich side at low temperatures. This is of special interest for the prediction …

An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal
magnetic excitations and magnetic transitions. We investigate the diffusion of Mn in bcc Fe …

We study the thermodynamic properties of iron-chromium alloys in the framework of the
Magnetic Cluster Expansion, a model of effective interactions explicitly taking into account …

Cr and Mn play intriguing roles in determining the magnetic properties of CoFeNi-based
high-entropy alloys (HEA). In this study, we tune the stoichiometric Mn composition to …