D. Aidhy

发表

Microstructure design for fast oxygen conduction

W. Weber, D. Aidhy, W. J. Weber, 2016 .

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

W. J. Weber, W. Weber, Yanwen Zhang, 2015 .

Impact of segregation energetics on oxygen conductivity at ionic grain boundaries

William J. Weber, W. J. Weber, Dilpuneet S. Aidhy, 2014 .

Strained Ionic Interfaces: Effect on Oxygen Diffusivity from Atomistic Simulations

W. Weber, Yanwen Zhang, D. Aidhy, 2014 .

Prediction of a Ca(BH4)(NH2) quaternary hydrogen storage compound from first-principles calculations

C. Wolverton, Yongsheng Zhang, D. Aidhy, 2011 .

(001) SrTiO3 | (001) MgO interface and oxygen-vacancy stability from first-principles calculations.

W. Weber, Yanwen Zhang, D. Aidhy, 2014, ACS applied materials & interfaces.

Entropy contributions to phase stability in binary random solid solutions

S. Phillpot, S. Pandey, D. Aidhy, 2018, npj Computational Materials.

Classical interatomic potential for quaternary Ni–Fe–Cr–Pd solid solution alloys

N. Castin, G. Bonny, S. Phillpot, 2018, Modelling and Simulation in Materials Science and Engineering.

Segregation and binding energetics at grain boundaries in fluorite oxides

G. Arora, D. Aidhy, 2017 .

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

W. J. Weber, W. Weber, M. W. Ullah, 2016 .

First-principles prediction of phase stability and crystal structures in Li-Zn and Na-Zn mixed-metal borohydrides

C. Wolverton, D. Aidhy, 2011 .

Selective control of oxygen sublattice stability by epitaxial strain in Ruddlesden-Popper films

Jae Hyuck Jang, M. Yoon, Ho Nyung Lee, 2015, 1508.06971.

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

B. Liu, W. Weber, Yanwen Zhang, 2014 .

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

G. Arora, D. Aidhy, Kanishka Rawat, 2018, Journal of Applied Physics.

Effect of ionic polarizability on oxygen diffusion in δ-Bi2O3 from atomistic simulation

E. Wachsman, S. Sinnott, S. Phillpot, 2010 .

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

D. Aidhy, Kanishka Rawat, 2021 .

Kinetically driven point-defect clustering in irradiated MgO by molecular-dynamics simulation

S. Phillpot, Han-Chen Huang, D. Wolf, 2009 .

A fast grain-growth mechanism revealed in nanocrystalline ceramic-oxides

W. J. Weber, W. Weber, Yanwen Zhang, 2014 .

Nanoprecipitates to Enhance Radiation Tolerance in High-Entropy Alloys.

H. Bei, J. Poplawsky, P. Edmondson, 2023, ACS applied materials & interfaces.

Effect of different point-defect energetics in Ni80X20 (X=Fe, Pd) on contrasting vacancy cluster formation from atomistic simulations

N. Castin, G. Bonny, G. Arora, 2021 .

Stabilizing nanocrystalline grains in ceramic-oxides.

W. Weber, Yanwen Zhang, D. Aidhy, 2013, Physical chemistry chemical physics : PCCP.

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

W. J. Weber, F. Namavar, W. Weber, 2014, Physical chemistry chemical physics : PCCP.

Ʃ3 Twin boundaries in Gd2Ti2O7 pyrochlore: pathways for oxygen migration.

Ashish K. Gupta, R. Sachan, G. Arora, 2020, ACS applied materials & interfaces.

Cation and vacancy disorder in U_1−yNd_yO_2.00−x alloys

S. M. Lee, R. Barabash, D. Aidhy, 2015 .

Comparison of point-defect clustering in irradiated CeO2 and UO2: A unified view from molecular dynamics simulations and experiments

Dieter Wolf, Anter El-Azab, Dilpuneet S. Aidhy, 2011 .

Forging Fast Ion Conducting Nanochannels with Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure

C. Trautmann, B. Liu, W. Weber, 2017 .

Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7

W. Weber, R. Sachan, M. Chisholm, 2015, Scientific Reports.

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

B. Liu, W. Weber, Yanwen Zhang, 2015 .

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

D. Aidhy, D. Chakraborty, Debajit Chakraborty, 2017 .

Machine Learning Based Methodology to Predict Point Defect Energies in Multi-Principal Element Alloys

Gaurav Arora, Anus Manzoor, Bryant Jerome, 2021, Frontiers in Materials.

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

G. Arora, D. Aidhy, Anus Manzoor, 2022, Journal of Applied Physics.

Machine Learning Enabled Prediction of Stacking Fault Energies in Concentrated Alloys

G. Arora, D. Aidhy, 2020, Metals.

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

W. J. Weber, Chenyang Lu, H. Bei, 2016 .

Charge-Density based Convolutional Neural Networks for Stacking Fault Energy Prediction in Concentrated Alloys

P. Tahmasebi, G. Arora, D. Aidhy, 2022, Materialia.

Predicting vibrational entropy of fcc solids uniquely from bond chemistry using machine learning

D. Aidhy, Anus Manzoor, 2020 .

Factors affecting the vacancy formation energy in Fe70Ni10Cr20 random concentrated alloy

Yongfeng Zhang, D. Aidhy, Anus Manzoor, 2021 .

A statistical approach for atomistic calculations of vacancy formation energy and chemical potentials in concentrated solid-solution alloys

Yongfeng Zhang, D. Schwen, Chao Jiang, 2021 .

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

D. Fong, D. Aidhy, Kanishka Rawat, 2021 .

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

D. Aidhy, 2016, Physical chemistry chemical physics : PCCP.

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

W. J. Weber, Chenyang Lu, H. Bei, 2015 .

Effect of atomic order/disorder on vacancy clustering in concentrated NiFe alloys

W. J. Weber, D. Aidhy, A. Harms, 2018 .

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

G. M. Stocks, W. J. Weber, Chenyang Lu, 2016 .

On the Response of Ionic Crystals to Irradiation

D. Wolf, D. Aidhy, 2013 .

Kinetically evolving irradiation-induced point defect clusters in UO{sub 2} by molecular dynamics simulation

Paul C. Millett, Simon R. Phillpot, Tapan G. Desai, 2009 .

Ab initio molecular dynamics simulations of threshold displacement energies in SrTiO3

W. J. Weber, Bin Liu, D. Aidhy, 2013, Journal of physics. Condensed matter : an Institute of Physics journal.

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

E. Wachsman, S. Sinnott, S. Phillpot, 2008 .

The evolution mechanism of the dislocation loops in irradiated lanthanum doped cerium oxide

Aaron Oaks, James F Stubbins, Kun Mo, 2014 .

Theoretical investigation of thermodynamic stability and mobility of the oxygen vacancy in ThO2-UO2 solid solutions.

Bin Liu, D. Aidhy, Y. Zhang, 2014, Physical chemistry chemical physics : PCCP.

Short-Range Atomic Ordering in Amorphous Ion-Tracks in Pyrochlores

Bin Liu, R. Sachan, M. Chisholm, 2015, Microscopy and Microanalysis.

Grain-boundary source/sink behavior for point defects: An atomistic simulation study

S. Phillpot, D. Wolf, P. Millett, 2009 .

Investigation of oxygen point defects in cubic ZrO 2 by density functional theory

Bin Liu, Haiyan Xiao, Yanwen Zhang, 2014 .

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

D. Aidhy, Nathan Linton, 2023, APL Machine Learning.