CALPHAD modeling based on Gibbs energy functions from zero kevin and improved magnetic model: a case study on the Cr–Ni system

L Hao, A Ruban, W Xiong - Calphad, 2021 - Elsevier
The third-generation thermodynamic database that adopts the physics-based models over a
wide temperature range is being developed in an attempt to increase the predictability and …

First-principles calculations of phonon and thermodynamic properties of Fe-Si compounds

YF Liang, SL Shang, J Wang, Y Wang, F Ye, JP Lin… - Intermetallics, 2011 - Elsevier
The phonon approach and the Debye model are combined to predict the vibrational
thermodynamic contribution for the following Fe-Si compounds: Fe3Si, Fe2Si, Fe5Si3, FeSi …

Phase-decomposition-related short-range ordering in an Fe–Cr alloy

SM Dubiel, J Żukrowski - Acta materialia, 2013 - Elsevier
A redistribution of Cr atoms related to a phase decomposition (PD) caused by an isothermal
annealing at 415° C in a 15.15 at.% Cr Fe–Cr alloy was studied in an ex situ way by the …

Theoretical elastic moduli of ferromagnetic bcc Fe alloys

H Zhang, MPJ Punkkinen, B Johansson… - Journal of Physics …, 2010 - iopscience.iop.org
The polycrystalline elastic parameters of ferromagnetic Fe 1− x M x (M= Al, Si, V, Cr, Mn, Co,
Ni, Rh; 0≤ x≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase …

Elastic anomalies in Fe–Cr alloys

H Zhang, G Wang, MPJ Punkkinen… - Journal of Physics …, 2013 - iopscience.iop.org
Using ab initio alloy theory, we determine the elastic parameters of ferromagnetic and
paramagnetic Fe 1− c Cr c (0≤ c≤ 1) alloys in the body centered cubic crystallographic …

Influence of Cr-content on the local atomic structure of Fe–Cr alloy, a study using EXAFS

AI Ismail, R Haliq - Radiation Physics and Chemistry, 2023 - Elsevier
High Cr ferritic/martensitic steels are considered one of the most promising structural
materials for advanced nuclear power plants. Therefore, understanding properties' evolution …

Enhancing the possibilities of 57Fe Mössbauer spectrometry to the study of chemical and physical properties of iron in medicines

CA Barrero, KE Garcia, JM Greneche - Polyhedron, 2016 - Elsevier
Abstract 57 Fe Mössbauer spectrometry (MS) has long been used to study medicines that
contain organic and inorganic iron-based compounds. The technique contributes to identify …

Surface Debye temperature determination from LEED: correlation to defects in epitaxial films

MC Adam, N Darukhanawalla, JM Gaudet, G O'Hara… - Surface Science, 2022 - Elsevier
Low energy electron diffraction (LEED) peak intensities were measured to estimate surface
Debye temperature for epitaxially-grown silicon thin films and for bulk Si (001). Rutherford …

Study of phase stability in the σ-FeCr system

J Cieslak, J Tobola, SM Dubiel - Intermetallics, 2012 - Elsevier
Formation energy of the σ-phase in the Fe-Cr alloy system, ΔE, was computed versus the
occupancy changes on each of the five possible lattice sites. Its dependence on a number of …

X-ray study of Debye temperatures of bcc–Fe–Cr mechanical alloys

L Jithender, N Gopikrishna - Indian Journal of Physics, 2013 - Springer
The mean square amplitudes of vibration, Debye–Waller factors and Debye temperatures of
bcc Fe 100–x Cr x alloys prepared by mechanical alloying have been obtained from X-ray …