25 citations · 67 across the 8 of their papers we have counts for
8 papers
The effect of grain boundaries on magnetic exchange interactions in iron
Martin Zelený, Martin Heczko, Petr Šesták +3
This work investigates how grain boundaries (GBs) modify magnetic exchange interactions in bcc iron, with particular focus on the effect of phosphorus segregation. Using density-fu…
Induced side-branching in smooth and faceted dendrites: theory and Phase-Field simulations
Gilles Demange, Renaud Patte, Helena Zapolsky
The present work is devoted to the phenomenon of induced side branching stemming from the disruption of free dendrite growth. Therein, we postulate that the secondary branching ins…
Fcc -> bcc phase transition kinetics in an immiscible binary system: atomistic evidence of the twinning mechanism of transformation
G. Demange, M. Lavrskyi, K. Chen +4
Extensive atomistic simulations based on the quasiparticle (QA) approach are performed to determine the momentous aspects of the displacive fcc/bcc phase transformation in a binary…
Magnetoelectric properties of the multiferroic CuCrO studied by means of ab initio calculations and Monte Carlo simulations
Ahmed Albaalbaky, Yaroslav Kvashnin, Denis Ledue +2
Motivated by the discovery of multiferroicity in the geometrically frustrated triangular antiferromagnet CuCrO below its Néel temperature , we investigate its magnetic and…
Point defect absorption by grain boundaries in -iron by atomic density function modeling
O. Kapikranian, H. Zapolsky, R. Patte +3
Using the atomic density function theory (ADFT), we examine the point defect absorption at [110] symmetrical tilt grain boundaries in body-centered cubic iron. It is found that the…
Atomic structure of grain boundaries in iron modeled using the atomic density function
O. Kapikranian, H. Zapolsky, Ch. Domain +4
A model based on the continuous atomic density function (ADF) approach is applied to predict the atomic structure of grain boundaries (GBs) in iron. Symmetrical [100] and [110] til…
Magnetic properties of Fe/Dy multilayers: a Monte Carlo investigation
Etienne Talbot, Pierre Emmanuel Berche, Denis Ledue +1
We investigate the magnetic properties of a Heisenberg ferrimagnetic multilayer by using Monte Carlo simulations. The aim of this work is to study the local structural anisotropy m…
Magnetisation switching in a ferromagnetic Heisenberg nanoparticle with uniaxial anisotropy: A Monte Carlo investigation
Denis Ledue, Pierre-Emmanuel Berche, Renaud Patte
We investigate the thermal activated magnetisation reversal in a single ferromagnetic nanoparticle with uniaxial anisotropy using Monte Carlo simulations. The aim of this work is t…