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Enhancement of piezoelectric constants induced by cation-substitution and two-dimensional strain effects on ZnO predicted by density functional perturbation theory

Journal of applied physics, 2016-03, Vol.119 (11)

2016

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Carbon dioxide capture in 2-aminoethanol aqueous solution from ab initio molecular dynamics simulations

The Journal of chemical physics, 2017-03, Vol.146 (9)

2017

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Effects of guest atomic species on the lattice thermal conductivity of type-I silicon clathrate studied via classical molecular dynamics

The Journal of chemical physics, 2016-08, Vol.145 (6)

2016

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First-Principles Calculation of the Evaporation Field and Roll-up Effect of M (M = Fe, Cu, Si, and Mn) on the Fe (001) and Fe Step Structure

Microscopy and microanalysis, 2022-08, Vol.28 (4), p.1181-1187

Ohnuma, Toshiharu

2022

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Theoretical and experimental investigation of defect formation / migration in Gd2Ti2O7: General rule of oxide-ion migration in A2B2O7 pyrochlore

AIP advances, 2016-11, Vol.6 (11), p.115003-115003-17

2016

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Surface Diffusion of Fe and Cu on Fe (001) Under Electric Field Using First-Principles Calculations

Microscopy and microanalysis, 2019-04, Vol.25 (2), p.547-553

Ohnuma, Toshiharu

2019

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Energetic Stability and Thermoelectric Property of Alkali-Metal-Encapsulated Type-I Silicon-Clathrate from First-Principles Calculation

Materials transactions, 2013-01, Vol.54 (3), p.276-285

2013

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X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2 via first-principles calculation

RSC advances, 2019-11, Vol.9 (61), p.35655-35661

2019

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Theoretical approaches for studying anisotropic negative thermal expansion: A case of cordierite

Journal of the Ceramic Society of Japan, 2016, Vol.124 (6), p.744-749

2016

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First-Principles Calculation of Point Defects in Uranium Dioxide

Materials transactions, 2006-11, Vol.47 (11), p.2651-2657

2006

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Correction: X-ray absorption near edge structure simulation of LiNi 0.5 Co 0.2 Mn 0.3 O 2 via first-principles calculation

RSC advances, 2020-01, Vol.10 (7), p.3882-3882

2020

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First-principles calculation of field evaporation and surface diffusion on BCC Fe (001)

Microscopy and microanalysis, 2017-07, Vol.23 (S1), p.650-651

Ohnuma, Toshiharu

2017

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X-ray absorption near edge structure simulation of LiNi 0.5 Co 0.2 Mn 0.3 O 2 via first-principles calculation

RSC advances, 2019-11, Vol.9 (61), p.35655-35661

2019

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Machine-learning investigation on the creep-rupture time of heat-resistant steels

Materials today communications, 2023-08, Vol.36, p.106687, Article 106687

2023

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Ab Initio Electronic Structure Study of α-Zirconium and Hydrogen

Materials transactions, 2008-12, Vol.49 (12), p.2765-2769

2008

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Correction: X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2via first-principles calculation

RSC advances, 2020-01, Vol.10 (7), p.3882-3882

2020

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Correction: X-ray absorption near edge structure simulation of LiNiCoMnO first-principles calculation

RSC advances, 2020-01, Vol.1 (7), p.3882-3882

2020

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Correction: X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2 via first-principles calculation

RSC advances, 2020-01, Vol.10 (7), p.3882-3882

2020

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X-ray absorption near edge structure simulation of LiNiCoMnO first-principles calculation

RSC advances, 2019-11, Vol.9 (61), p.35655-35661

2019

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X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2via first-principles calculation

RSC advances, 2019-11, Vol.9 (61), p.35655-35661

2019

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First-principles calculations of vacancy–solute element interactions in body-centered cubic iron

Acta materialia, 2009-12, Vol.57 (20), p.5947-5955

2009

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Atomistic simulation of shear deformation at bcc-Fe grain boundary and precipitation strengthening by Cr23C6

Materials today communications, 2022-12, Vol.33, p.104711, Article 104711

2022

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Theoretical prediction of piezoelectric property of new LiNbO3-type compound AlTlO3

MRS advances, 2019-01, Vol.4 (9), p.531-537

2019

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Point defects and clustering in uranium dioxide by LSDA + U calculations

Physical review. B, Condensed matter and materials physics, 2008-03, Vol.77 (10), Article 104120

2008

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Simple bond-order-type interatomic potential for an intermixed Fe-Cr-C system of metallic and covalent bondings in heat-resistant ferritic steels

Journal of applied physics, 2014-12, Vol.116 (24)

2014

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Enhancement of piezoelectric constants induced by cation-substitution and two-dimensional strain effects on ZnO predicted by density functional perturbation theory

Carbon dioxide capture in 2-aminoethanol aqueous solution from ab initio molecular dynamics simulations

Effects of guest atomic species on the lattice thermal conductivity of type-I silicon clathrate studied via classical molecular dynamics

First-Principles Calculation of the Evaporation Field and Roll-up Effect of M (M = Fe, Cu, Si, and Mn) on the Fe (001) and Fe Step Structure

Theoretical and experimental investigation of defect formation / migration in Gd2Ti2O7: General rule of oxide-ion migration in A2B2O7 pyrochlore

Surface Diffusion of Fe and Cu on Fe (001) Under Electric Field Using First-Principles Calculations

Energetic Stability and Thermoelectric Property of Alkali-Metal-Encapsulated Type-I Silicon-Clathrate from First-Principles Calculation

X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2 via first-principles calculation

Theoretical approaches for studying anisotropic negative thermal expansion: A case of cordierite

First-Principles Calculation of Point Defects in Uranium Dioxide

Correction: X-ray absorption near edge structure simulation of LiNi 0.5 Co 0.2 Mn 0.3 O 2 via first-principles calculation

First-principles calculation of field evaporation and surface diffusion on BCC Fe (001)

X-ray absorption near edge structure simulation of LiNi 0.5 Co 0.2 Mn 0.3 O 2 via first-principles calculation

Machine-learning investigation on the creep-rupture time of heat-resistant steels

Ab Initio Electronic Structure Study of α-Zirconium and Hydrogen

Correction: X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2via first-principles calculation

Correction: X-ray absorption near edge structure simulation of LiNiCoMnO first-principles calculation

Correction: X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2 via first-principles calculation

X-ray absorption near edge structure simulation of LiNiCoMnO first-principles calculation

X-ray absorption near edge structure simulation of LiNi0.5Co0.2Mn0.3O2via first-principles calculation

First-principles calculations of vacancy–solute element interactions in body-centered cubic iron

Atomistic simulation of shear deformation at bcc-Fe grain boundary and precipitation strengthening by Cr23C6

Theoretical prediction of piezoelectric property of new LiNbO3-type compound AlTlO3

Point defects and clustering in uranium dioxide by LSDA + U calculations

Simple bond-order-type interatomic potential for an intermixed Fe-Cr-C system of metallic and covalent bondings in heat-resistant ferritic steels

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