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Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

Acta materialia, 2015-01, Vol.83 (C), p.102-112

2015

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First-principles lattice dynamics, thermodynamics, and elasticity of Cr2O3

Surface science, 2012-09, Vol.606 (17-18), p.1422-1425

2012

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Effects of Mn addition on the magnetic property and corrosion resistance of bulk amorphous steels

Journal of alloys and compounds, 2008-09, Vol.464 (1), p.292-295

2008

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Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni–Al alloys by computational approach

Journal of the American Ceramic Society, 2022-12, Vol.105 (12), p.7770-7777

2022

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First-principles calculations of lattice dynamics and thermal properties of polar solids

npj computational materials, 2016-05, Vol.2 (1), p.16006, Article 16006

2016

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Tailoring critical Al concentration to form external Al2O3 scale on Ni–Al alloys by computational approach

Journal of the American Ceramic Society, 2022-12, Vol.105 (12), p.7770-7777

2022

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Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study

Journal of materials chemistry. A, Materials for energy and sustainability, 2015-03, Vol.3 (15), p.8002-8014

2015

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Atomic structures of Zr-based metallic glasses

Science China. Physics, mechanics & astronomy, 2008-04, Vol.51 (4), p.400-413

2008

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Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO2–ZrO2 Bilayers

physica status solidi (b), 2020-01, Vol.257 (1), p.n/a

2020

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Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO 2 –ZrO 2 Bilayers

physica status solidi (b), 2020-01, Vol.257 (1)

2020

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Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO2–ZrO2 Bilayers

physica status solidi (b), 2020-01, Vol.257 (1), p.n/a

2020

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Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO 2 –ZrO 2 Bilayers

physica status solidi (b), 2020-01, Vol.257 (1)

2020

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Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO 2 –ZrO 2 Bilayers

Physica Status Solidi B. Basic Solid State Physics, 2019-09, Vol.257 (1)

2019

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Low energy structures of lithium-ion battery materials Li(MnxNixCo1−2x)O2 revealed by first-principles calculations

Applied physics letters, 2013-07, Vol.103 (5)

2013

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Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4ta07062c

2015-03

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Amorphous LiLaTiO 3 as Solid Electrolyte Material

Journal of the Electrochemical Society, 2014, Vol.161 (4), p.A473-A479

2014

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Thermodynamic modeling of the aluminum–iron–oxygen system

Calphad, 2015-12, Vol.51, p.178-192

2015

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Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in PbTi O 3

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (2), Article 024104

2015

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Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in PbTi O sub(3)

Physical review. B, Condensed matter and materials physics, 2015-01, Vol.91 (2)

2015

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Nature of Ferroelectric-Paraelectric Phase Transition and Origin of Negative Thermal Expansion in PbTiO3

Zentropy, 2025, p.627-643

1, 2025

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12V Amorphous LLTO Solid Electrolyte

Meeting abstracts (Electrochemical Society), 2016-06, Vol.MA2016-03 (2), p.1080-1080

2016

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A stress-responsive NAC transcription factor SNAC3 confers heat and drought tolerance through modulation of reactive oxygen species in rice

Journal of experimental botany, 2015-11, Vol.66 (21), p.6803-6817

2015

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Characterization of highly branched dextran produced by Leuconostoc citreum B-2 from pineapple fermented product

International journal of biological macromolecules, 2018-07, Vol.113, p.45-50

2018

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Solidification structure and central segregation of 6Cr13Mo stainless steel under simulated continuous casting conditions

Journal of materials research and technology, 2022-09, Vol.20, p.3408-3419

2022

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MnO2 nanowires electrodeposited on freestanding graphenated carbon nanotubes as binder-free electrodes with enhanced supercapacitor performance

Materials letters, 2019-08, Vol.249, p.140-142

2019

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Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

First-principles lattice dynamics, thermodynamics, and elasticity of Cr2O3

Effects of Mn addition on the magnetic property and corrosion resistance of bulk amorphous steels

Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni–Al alloys by computational approach

First-principles calculations of lattice dynamics and thermal properties of polar solids

Tailoring critical Al concentration to form external Al2O3 scale on Ni–Al alloys by computational approach

Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles study

Atomic structures of Zr-based metallic glasses

Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO2–ZrO2 Bilayers

Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO 2 –ZrO 2 Bilayers

Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO2–ZrO2 Bilayers

Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO 2 –ZrO 2 Bilayers

Crystal Phase Distribution and Ferroelectricity in Ultrathin HfO 2 –ZrO 2 Bilayers

Low energy structures of lithium-ion battery materials Li(MnxNixCo1−2x)O2 revealed by first-principles calculations

Insight into structural, elastic, phonon, and thermodynamic properties of α-sulfur and energy-related sulfides: a comprehensive first-principles studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4ta07062c

Amorphous LiLaTiO 3 as Solid Electrolyte Material

Thermodynamic modeling of the aluminum–iron–oxygen system

Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in PbTi O 3

Nature of ferroelectric-paraelectric phase transition and origin of negative thermal expansion in PbTi O sub(3)

Nature of Ferroelectric-Paraelectric Phase Transition and Origin of Negative Thermal Expansion in PbTiO3

12V Amorphous LLTO Solid Electrolyte

A stress-responsive NAC transcription factor SNAC3 confers heat and drought tolerance through modulation of reactive oxygen species in rice

Characterization of highly branched dextran produced by Leuconostoc citreum B-2 from pineapple fermented product

Solidification structure and central segregation of 6Cr13Mo stainless steel under simulated continuous casting conditions

MnO2 nanowires electrodeposited on freestanding graphenated carbon nanotubes as binder-free electrodes with enhanced supercapacitor performance

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