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First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion

Acta materialia, 2015-01, Vol.82, p.369-377

2015

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Angular-dependent interatomic potential for tantalum

Acta materialia, 2006-11, Vol.54 (19), p.5013-5026

2006

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Segmental Dynamics of Entangled Poly(ethylene oxide) Melts: Deviations from the Tube-Reptation Model

Macromolecules, 2018-12, Vol.51 (24), p.10055-10064

2018

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THE OXIDATION OF NIAL: What Can We Learn from Ab Initio Calculations?

Annual review of materials research, 2005-08, Vol.35 (1), p.167-207

2005

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Segmental dynamics of polyethylene-alt-propylene studied by NMR spin echo techniques

The Journal of chemical physics, 2017-06, Vol.146 (22), p.224901-224901

2017

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On the theory of deuteron NMR free induction decay of reptating polymer chains: Effect of end segment dynamics

The Journal of chemical physics, 2020-05, Vol.152 (18), p.184904-184904

2020

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The effect of alloying elements on grain boundary and bulk cohesion in aluminum alloys: An ab initio study

Scripta materialia, 2011-11, Vol.65 (10), p.926-929

2011

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On the theory of the proton dipolar-correlation effect as a method for investigation of segmental displacement in polymer melts

The Journal of chemical physics, 2017-08, Vol.147 (7), p.074904-074904

2017

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Communication: Proton NMR dipolar-correlation effect as a method for investigating segmental diffusion in polymer melts

The Journal of chemical physics, 2016-06, Vol.144 (24), p.241101-241101

2016

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Ab initio simulation of charged slabs at constant chemical potential

The Journal of chemical physics, 2001-07, Vol.115 (4), p.1661-1669

2001

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Boron in copper: A perfect misfit in the bulk and cohesion enhancer at a grain boundary

Physical review. B, Condensed matter and materials physics, 2008-04, Vol.77 (16), Article 165413

2008

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Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044503-044503

2014

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Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044504-044504

2014

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Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water

The Journal of chemical physics, 2014-07, Vol.141 (4), p.044505-044505

2014

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Point defects in NiAl: The effect of lattice vibrations

Physical review. B, Condensed matter, 2003-11, Vol.68 (18), Article 184113

2003

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Analysis of the Alloying System in Ni-Base Superalloys Based on Ab Initio Study of Impurity Segregation to Ni Grain Boundary

Advanced materials research, 2011-07, Vol.278, p.192-197

2011

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Evaluation of diffusion mechanisms in NiAl by embedded-atom and first-principles calculations

Physical review. B, Condensed matter, 2003-01, Vol.67 (1), Article 014201

2003

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Microstructure and properties of a silicon coating deposited on a titanium nickelide substrate using molecular-beam epitaxy equipment

Journal of physics. Conference series, 2021-06, Vol.1954 (1), p.12024

2021

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Field-evaporation from first-principles

Molecular physics, 2004-05, Vol.102 (9-10), p.1045-1055

2004

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Constitutional and thermal point defects in B2 NiAl

Physical review. B, Condensed matter and materials physics, 2000, Vol.61 (9), p.6003

2000

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Surface stoichiometry and the initial oxidation of NiAl(110)

Physical review letters, 2000-07, Vol.85 (3), p.610-613

2000

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Dark defect charge dynamics in bulk chemical-vapor-deposition-grown diamonds probed via nitrogen vacancy centers

Physical review materials, 2020-05, Vol.4 (5), Article 053602

2020

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Wavelength dependence of nitrogen vacancy center charge cycling

Physical review. B, 2024-04, Vol.109 (13), Article 134106

2024

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Corrigendum to “First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion” [Acta Mater. 82 (2015) 369–377]

Acta materialia, 2016-03, Vol.106, p.401-402

2016

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First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion (vol 82, pg 369, 2015) ERRATUM

Acta materialia, 2016, Vol.106, p.401

2016

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First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion

Angular-dependent interatomic potential for tantalum

Segmental Dynamics of Entangled Poly(ethylene oxide) Melts: Deviations from the Tube-Reptation Model

THE OXIDATION OF NIAL: What Can We Learn from Ab Initio Calculations?

Segmental dynamics of polyethylene-alt-propylene studied by NMR spin echo techniques

On the theory of deuteron NMR free induction decay of reptating polymer chains: Effect of end segment dynamics

The effect of alloying elements on grain boundary and bulk cohesion in aluminum alloys: An ab initio study

On the theory of the proton dipolar-correlation effect as a method for investigation of segmental displacement in polymer melts

Communication: Proton NMR dipolar-correlation effect as a method for investigating segmental diffusion in polymer melts

Ab initio simulation of charged slabs at constant chemical potential

Boron in copper: A perfect misfit in the bulk and cohesion enhancer at a grain boundary

Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules

Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water

Point defects in NiAl: The effect of lattice vibrations

Analysis of the Alloying System in Ni-Base Superalloys Based on Ab Initio Study of Impurity Segregation to Ni Grain Boundary

Evaluation of diffusion mechanisms in NiAl by embedded-atom and first-principles calculations

Microstructure and properties of a silicon coating deposited on a titanium nickelide substrate using molecular-beam epitaxy equipment

Field-evaporation from first-principles

Constitutional and thermal point defects in B2 NiAl

Surface stoichiometry and the initial oxidation of NiAl(110)

Dark defect charge dynamics in bulk chemical-vapor-deposition-grown diamonds probed via nitrogen vacancy centers

Wavelength dependence of nitrogen vacancy center charge cycling

Corrigendum to “First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion” [Acta Mater. 82 (2015) 369–377]

First-principles-aided design of a new Ni-base superalloy: Influence of transition metal alloying elements on grain boundary and bulk cohesion (vol 82, pg 369, 2015) ERRATUM

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