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Surface energetics of AlxTi1-xN alloys

Computational materials science, 2020-10, Vol.183, Article 109813

2020

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Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Acta materialia, 2023-08, Vol.255, Article 118986

2023

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

Calphad, 2021-06, Vol.73, p.102268, Article 102268

2021

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Adsorption and Dissociation of O2 on Pt−Co and Pt−Fe Alloys

Journal of the American Chemical Society, 2004-04, Vol.126 (14), p.4717-4725

2004

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Deformation Microstructure and Deformation-Induced Martensite in Austenitic Fe-Cr-Ni Alloys Depending on Stacking Fault Energy

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2017-01, Vol.48 (1), p.1-7

2017

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Anderson transition in stoichiometric Fe2VAl: high thermoelectric performance from impurity bands

Nature communications, 2022-06, Vol.13 (1), p.3599-3599, Article 3599

2022

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Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten

International journal of refractory metals & hard materials, 2016-11, Vol.60, p.75-81

2016

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On the energetics of the cubic-to-hexagonal transformations in TiAl plus Mo alloys

Acta materialia, 2022-11, Vol.240

2022

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Structural vacancies in (Ti,Al)N: An ab initio study

Physical review materials, 2022, Vol.6 (1), Article 013803

2022

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Phase diagram and oxygen–vacancy ordering in the CeO2–Gd2O3 system: a theoretical study

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (17), p.11805-11818

2018

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Structural stability and mechanical properties of TiAl plus Mo alloys: A comprehensive ab initio study

Acta materialia, 2021-12, Vol.221, p.117427

2021

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Towards predictive simulations of spinodal decomposition in Fe-Cr alloys

Computational materials science, 2022-02, Vol.202, p.110955, Article 110955

2022

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Short-range order in face-centered cubic VCoNi alloys

Physical review materials, 2020-11, Vol.4 (11), Article 113802

2020

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Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo study

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (39), p.26606-26620

2017

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Accurate ab initio modeling of solid solution strengthening in high entropy alloys

Physical review materials, 2022-10, Vol.6 (10), Article 103602

2022

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Phase diagram and oxygen-vacancy ordering in the CeO 2 -Gd 2 O 3 system: a theoretical study

Physical chemistry chemical physics : PCCP, 2018-05, Vol.20 (17), p.11805-11818

2018

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Multi-length scale modeling of martensitic transformations in stainless steels

Acta materialia, 2012-11, Vol.60 (19), p.6508-6517

2012

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Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys

Surface science, 2009-01, Vol.603 (1), p.91-96

2009

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Evidence for the antiferromagnetic ground state of Zr2TiAl: a first-principles study

Journal of physics. Condensed matter, 2017-05, Vol.29 (26), p.265801-265801

2017

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Solubility and segregation of B in paramagnetic fcc Fe

Physical review materials, 2022-02, Vol.6 (2), Article 023604

2022

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Effect of solution treatment on spinodal decomposition during aging of an Fe-46.5 at.% Cr alloy

Journal of materials science, 2017, Vol.52 (1), p.326-335

2017

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Effects of gas flow on detailed microstructure inhomogeneities in LPCVD TiAlN nanolamella coatings

Materialia, 2020-03, Vol.9, p.100546, Article 100546

2020

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Surface energetics of Al x Ti 1 - x N alloys

Computational materials science, 2020-10, Vol.183, p.109813, Article 109813

2020

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On segregation in multicomponent alloys: Surface segregation in austenite and FeCrCoNiMn alloys

Computational materials science, 2021-02, Vol.187, p.110080, Article 110080

Ruban, A.V.

2021

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Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures

Scripta materialia, 2024-03, Vol.242, p.115934, Article 115934

2024

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Surface energetics of AlxTi1-xN alloys

Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

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

Adsorption and Dissociation of O2 on Pt−Co and Pt−Fe Alloys

Deformation Microstructure and Deformation-Induced Martensite in Austenitic Fe-Cr-Ni Alloys Depending on Stacking Fault Energy

Anderson transition in stoichiometric Fe2VAl: high thermoelectric performance from impurity bands

Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten

On the energetics of the cubic-to-hexagonal transformations in TiAl plus Mo alloys

Structural vacancies in (Ti,Al)N: An ab initio study

Phase diagram and oxygen–vacancy ordering in the CeO2–Gd2O3 system: a theoretical study

Structural stability and mechanical properties of TiAl plus Mo alloys: A comprehensive ab initio study

Towards predictive simulations of spinodal decomposition in Fe-Cr alloys

Short-range order in face-centered cubic VCoNi alloys

Ordering and phase separation in Gd-doped ceria: a combined DFT, cluster expansion and Monte Carlo study

Accurate ab initio modeling of solid solution strengthening in high entropy alloys

Phase diagram and oxygen-vacancy ordering in the CeO 2 -Gd 2 O 3 system: a theoretical study

Multi-length scale modeling of martensitic transformations in stainless steels

Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys

Evidence for the antiferromagnetic ground state of Zr2TiAl: a first-principles study

Solubility and segregation of B in paramagnetic fcc Fe

Effect of solution treatment on spinodal decomposition during aging of an Fe-46.5 at.% Cr alloy

Effects of gas flow on detailed microstructure inhomogeneities in LPCVD TiAlN nanolamella coatings

Surface energetics of Al x Ti 1 - x N alloys

On segregation in multicomponent alloys: Surface segregation in austenite and FeCrCoNiMn alloys

Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures

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