Magnetochemical effects on phase stability and vacancy formation in fcc fe-ni alloys

K Li, CC Fu, M Nastar, F Soisson, MY Lavrentiev - Physical Review B, 2022 - APS
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 …

[HTML][HTML] Towards accurate thermodynamics from random energy sampling

T Schuler, M Nastar, K Li, CC Fu - Acta Materialia, 2024 - Elsevier
Abstract Special Quasi-random Structures (SQSs) are often used to model disordered alloys
in small simulation cells. Yet, SQS-based sampling yields chemical potentials (and other …

Revisiting neutron studies of reentrant spin glasses: the role of small-angle scattering

I Mirebeau, N Martin - Journal of Applied Crystallography, 2022 - journals.iucr.org
The application is discussed of neutron methods to the study of reentrant spin glasses
(RSGs), close to the transition towards acanonical'spin glass (SG). The focus is on two …

-ordered thin films: Phase formation, morphology, and spin structure

NY Schmidt, R Mondal, A Donges, J Hintermayr, C Luo… - Physical Review B, 2020 - APS
Chemically ordered L 1 0 (Fe 100− x Cr x) Pt thin films were expitaxially grown on MgO
(001) substrates by magnetron sputter-deposition at 770∘ C. In this sample series, Fe was …

Influence of magnetic excitation and vibrational entropy on the phase diagram of Fe1− xCrx alloys

M Trochet, F Soisson, CC Fu, MY Lavrentiev - Computational Materials …, 2021 - Elsevier
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 …

Strains in Fe/Cr/Fe trilayers and (Fe/Cr) 5/Fe multilayers epitaxied on MgO and MgO/SrTiO3

G Magnifouet, M Vallet, E Meslin, M Walls, C Bouillet… - Thin Solid Films, 2023 - Elsevier
Abstract Fe/Cr/Fe trilayers and multilayers are prepared as model systems designed to
furnish simple data comparable with calculation results for diffusion properties in nuclear …

Evolution of spin dynamics during freezing in the spin-glass

S Säubert, C Franz, JK Jochum, G Benka, A Bauer… - Physical Review B, 2024 - APS
In the iron–chromium system, Fe x Cr 1− x, a wide dome of spin-glass behavior emerges
when the ferromagnetism of iron is suppressed and the antiferromagnetism of chromium …

Strains in Fe/Cr trilayers and multilayers epitaxied on MgO and STO\MgO

G Magnifouet, M Vallet, E Meslin, M Walls… - Cr Trilayers and …, 2022 - papers.ssrn.com
High Cr ferritic martensitic steels are good candidates as structural or cladding materials for
the next generation of nuclear power plants (generation IV and fusion reactors). The addition …