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Charge-density based evaluation and prediction of stacking fault energies in Ni alloys from DFT and machine learning

Journal of applied physics, 2022-12, Vol.132 (22)

2022

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Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

Acta materialia, 2015-10, Vol.99, p.69-76

2015

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Cr-induced fast vacancy cluster formation and high Ni diffusion in concentrated Ni-Fe-Cr alloys

Journal of alloys and compounds, 2017-11, Vol.725 (C), p.449-460

2017

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Machine Learning Enabled Prediction of Stacking Fault Energies in Concentrated Alloys

Metals (Basel ), 2020-08, Vol.10 (8), p.1072

2020

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Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys

Journal of materials research, 2016-08, Vol.31 (16), p.2363-2375

2016

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Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism

Scripta materialia, 2016-03, Vol.114 (C), p.137-141

2016

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Entropy contributions to phase stability in binary random solid solutions

npj computational materials, 2018-08, Vol.4 (1), p.1-10, Article 47

2018

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The effect of electronic energy loss on irradiation-induced grain growth in nanocrystalline oxides

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (17), p.851-859

2014

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Impact of segregation energetics on oxygen conductivity at ionic grain boundaries

Journal of materials chemistry. A, Materials for energy and sustainability, 2014-01, Vol.2 (6), p.1704-1709

2014

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Coupling between interfacial strain and oxygen vacancies at complex-oxides interfaces

Journal of applied physics, 2021-05, Vol.129 (17)

2021

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Damage accumulation in ion-irradiated Ni-based concentrated solid-solution alloys

Acta materialia, 2016-05, Vol.109 (C), p.17-22

2016

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Factors affecting the vacancy formation energy in Fe70Ni10Cr20 random concentrated alloy

Computational materials science, 2021-10, Vol.198 (C), p.110669, Article 110669

2021

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Oxygen diffusion in ThO2-CeO2 and ThO2-UO2 solid solutions from atomistic calculations

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (22), p.1519-1524

Aidhy, Dilpuneet S

2016

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Breaking atomic-level ordering via biaxial strain in functional oxides: A DFT study

Journal of applied physics, 2021-03, Vol.129 (9)

2021

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Segregation and binding energetics at grain boundaries in fluorite oxides

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (8), p.4026-4035

2017

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Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

Computational materials science, 2015-03, Vol.99, p.298-305

2015

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Vacancy-Ordered Structure of Cubic Bismuth Oxide from Simulation and Crystallographic Analysis

Journal of the American Ceramic Society, 2008-07, Vol.91 (7), p.2349-2356

2008

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Strain-Induced Phase and Oxygen-Vacancy Stability in Ionic Interfaces from First-Principles Calculations

Journal of physical chemistry. C, 2014-12, Vol.118 (51), p.30139-30144

2014

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A fast grain-growth mechanism revealed in nanocrystalline ceramic oxides

Scripta materialia, 2014-07, Vol.83, p.9-12

2014

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Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

ACS applied materials & interfaces, 2023-01, Vol.15 (3), p.3912-3924

2023

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Effect of atomic order/disorder on Cr segregation in Ni-Fe alloys

Journal of applied physics, 2018-09, Vol.124 (11)

2018

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A machine learning framework for elastic constants predictions in multi-principal element alloys

APL machine learning, 2023-03, Vol.1 (1), p.016109-016109-14

2023

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Microstructure design for fast oxygen conduction

Journal of materials research, 2016-01, Vol.31 (1), p.2-16

2016

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Radiation damage in cubic ZrO2 and yttria-stabilized zirconia from molecular dynamics simulations

Scripta materialia, 2015-03, Vol.98 (C), p.16-19

2015

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Strained Ionic Interfaces: Effect on Oxygen Diffusivity from Atomistic Simulations

Journal of physical chemistry. C, 2014-02, Vol.118 (8), p.4207-4212

2014

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Charge-density based evaluation and prediction of stacking fault energies in Ni alloys from DFT and machine learning

Point defect evolution in Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments

Cr-induced fast vacancy cluster formation and high Ni diffusion in concentrated Ni-Fe-Cr alloys

Machine Learning Enabled Prediction of Stacking Fault Energies in Concentrated Alloys

Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys

Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism

Entropy contributions to phase stability in binary random solid solutions

The effect of electronic energy loss on irradiation-induced grain growth in nanocrystalline oxides

Impact of segregation energetics on oxygen conductivity at ionic grain boundaries

Coupling between interfacial strain and oxygen vacancies at complex-oxides interfaces

Damage accumulation in ion-irradiated Ni-based concentrated solid-solution alloys

Factors affecting the vacancy formation energy in Fe70Ni10Cr20 random concentrated alloy

Oxygen diffusion in ThO2-CeO2 and ThO2-UO2 solid solutions from atomistic calculations

Breaking atomic-level ordering via biaxial strain in functional oxides: A DFT study

Segregation and binding energetics at grain boundaries in fluorite oxides

Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

Vacancy-Ordered Structure of Cubic Bismuth Oxide from Simulation and Crystallographic Analysis

Strain-Induced Phase and Oxygen-Vacancy Stability in Ionic Interfaces from First-Principles Calculations

A fast grain-growth mechanism revealed in nanocrystalline ceramic oxides

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys

Effect of atomic order/disorder on Cr segregation in Ni-Fe alloys

A machine learning framework for elastic constants predictions in multi-principal element alloys

Microstructure design for fast oxygen conduction

Radiation damage in cubic ZrO2 and yttria-stabilized zirconia from molecular dynamics simulations

Strained Ionic Interfaces: Effect on Oxygen Diffusivity from Atomistic Simulations

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