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Stacking fault energies of Mn, Co and Nb alloyed austenitic stainless steels

Acta materialia, 2011-08, Vol.59 (14), p.5728-5734

2011

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Functionalized graphene for sodium battery applications: the DFT insights

Electrochimica acta, 2017-10, Vol.250, p.185-195

2017

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Elastic properties of 4d transition metal alloys: Values and trends

Computational materials science, 2019-03, Vol.159, p.273-280

2019

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First-principles study of solid-solution hardening in steel alloys

Computational materials science, 2012-04, Vol.55, p.269-272

2012

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Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries – the impact of the computational scheme

Electrochimica acta, 2020-09, Vol.354, p.136735, Article 136735

2020

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Sodium storage via single epoxy group on graphene – The role of surface doping

Electrochimica acta, 2019-02, Vol.297, p.523-528

2019

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The effect of Al on the 475°C embrittlement of Fe–Cr alloys

Computational materials science, 2013-06, Vol.74, p.101-106

2013

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Determining the minimum grain size in severe plastic deformation process via first-principles calculations

Acta materialia, 2012-06, Vol.60 (11), p.4506-4513

2012

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First principle calculations of core-level binding energy and Auger kinetic energy shifts in metallic solids

Journal of electron spectroscopy and related phenomena, 2010-05, Vol.178 (C), p.88-99

2010

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Ab initio calculations of elastic properties of Fe–Cr–W alloys

Computational materials science, 2014-03, Vol.84, p.301-305

2014

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Alloying effects on the stacking fault energy in austenitic stainless steels from first-principles theory

Acta materialia, 2006-08, Vol.54 (14), p.3821-3826

2006

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High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element

Corrosion science, 2010-10, Vol.52 (10), p.3394-3404

2010

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Theoretical analysis of doped graphene as cathode catalyst in Li-O-2 and Na-O-2 batteries - the impact of the computational scheme

Electrochimica acta, 2020, Vol.354

2020

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Mechanical properties and defective effects of bcc V–4Cr–4Ti and V–5Cr–5Ti alloys by first-principles simulations

Computational materials science, 2011-07, Vol.50 (9), p.2727-2731

2011

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Vacancy–solute interactions in ferromagnetic and paramagnetic bcc iron: Ab initio calculations

Journal of nuclear materials, 2011-12, Vol.419 (1), p.248-255

2011

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SearchFill: A stochastic optimization code for detecting atomic vacancies in crystalline and non-crystalline systems

Computer physics communications, 2011-05, Vol.182 (5), p.1105-1110

2011

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Geographic clustering and outward foreign direct investment

International business review, 2012-12, Vol.21 (6), p.1112-1121

2012

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Dehydrogenation associated with Ti catalyst in sodium alanate

The Journal of physics and chemistry of solids, 2010-08, Vol.71 (8), p.1073-1076

2010

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Theoretical investigation of the effects of composition and atomic disordering on the properties of Ni2Mn(Al1−Ga ) alloy

Acta materialia, 2011-02, Vol.59 (3), p.971-980

2011

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Application of the exact muffin-tin orbitals theory: the spherical cell approximation

Computational materials science, 2000, Vol.18 (1), p.24-38

2000

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Rare earth elements in α-Ti: A first-principles investigation

Computational materials science, 2009-10, Vol.46 (4), p.1187-1191

2009

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Structural stability of intermetallic phases in the Zr–Sn system

Scripta materialia, 2006-09, Vol.55 (5), p.485-488

2006

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Configurational thermodynamics of Fe–Ni alloys at Earth's core conditions

Earth and planetary science letters, 2011-08, Vol.308 (1), p.90-96

2011

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The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys

Computational materials science, 2013, Vol.74, p.101

2013

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Anomalous temperature dependence of elastic constant c in V, Nb, Ta, Pd, and Pt

The Journal of physics and chemistry of solids, 2010-08, Vol.71 (8), p.1065

2010

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Stacking fault energies of Mn, Co and Nb alloyed austenitic stainless steels

Functionalized graphene for sodium battery applications: the DFT insights

Elastic properties of 4d transition metal alloys: Values and trends

First-principles study of solid-solution hardening in steel alloys

Theoretical analysis of doped graphene as cathode catalyst in Li-O2 and Na-O2 batteries – the impact of the computational scheme

Sodium storage via single epoxy group on graphene – The role of surface doping

The effect of Al on the 475°C embrittlement of Fe–Cr alloys

Determining the minimum grain size in severe plastic deformation process via first-principles calculations

First principle calculations of core-level binding energy and Auger kinetic energy shifts in metallic solids

Ab initio calculations of elastic properties of Fe–Cr–W alloys

Alloying effects on the stacking fault energy in austenitic stainless steels from first-principles theory

High temperature oxidation of Fe–Al and Fe–Cr–Al alloys: The role of Cr as a chemically active element

Theoretical analysis of doped graphene as cathode catalyst in Li-O-2 and Na-O-2 batteries - the impact of the computational scheme

Mechanical properties and defective effects of bcc V–4Cr–4Ti and V–5Cr–5Ti alloys by first-principles simulations

Vacancy–solute interactions in ferromagnetic and paramagnetic bcc iron: Ab initio calculations

SearchFill: A stochastic optimization code for detecting atomic vacancies in crystalline and non-crystalline systems

Geographic clustering and outward foreign direct investment

Dehydrogenation associated with Ti catalyst in sodium alanate

Theoretical investigation of the effects of composition and atomic disordering on the properties of Ni2Mn(Al1−Ga ) alloy

Application of the exact muffin-tin orbitals theory: the spherical cell approximation

Rare earth elements in α-Ti: A first-principles investigation

Structural stability of intermetallic phases in the Zr–Sn system

Configurational thermodynamics of Fe–Ni alloys at Earth's core conditions

The effect of Al on the 475 degrees C embrittlement of Fe-Cr alloys

Anomalous temperature dependence of elastic constant c in V, Nb, Ta, Pd, and Pt

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