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Mostafa Youssef
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Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium− Silicate− Hydrate
M Youssef, RJM Pellenq, B Yildiz
Journal of the American Chemical Society 133 (8), 2499-2510, 2011
2542011
Intrinsic point-defect equilibria in tetragonal ZrO 2: Density functional theory analysis with finite-temperature effects
M Youssef, B Yildiz
Physical Review B 86 (14), 144109, 2012
902012
Polarizing Oxygen Vacancies in Insulating Metal Oxides under a High Electric Field
M Youssef, KJ Van Vliet, B Yildiz
Physical Review Letters 119 (12), 126002, 2017
512017
Hydrogen defects in tetragonal ZrO 2 studied using density functional theory
M Youssef, B Yildiz
Physical Chemistry Chemical Physics 16 (4), 1354-1365, 2014
472014
Doping in the Valley of Hydrogen Solubility: A Route to Designing Hydrogen-Resistant Zirconium Alloys
M Youssef, M Yang, B Yildiz
Physical Review Applied 5 (1), 014008, 2016
372016
Effect of Niobium on the Defect Chemistry and Oxidation Kinetics of Tetragonal ZrO2
U Otgonbaatar, W Ma, M Youssef, B Yildiz
The Journal of Physical Chemistry C 118 (35), 20122-20131, 2014
372014
Oxygen self-diffusion mechanisms in monoclinic revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations
J Yang, M Youssef, B Yildiz
Physical Review B 97 (2), 024114, 2018
292018
Predicting self-diffusion in metal oxides from first principles: The case of oxygen in tetragonal ZrO 2
M Youssef, B Yildiz
Physical Review B 89 (2), 024105, 2014
282014
Predicting point defect equilibria across oxide hetero-interfaces: model system of ZrO 2/Cr 2 O 3
Y Yang, M Youssef, B Yildiz
Physical Chemistry Chemical Physics 19 (5), 3869-3883, 2017
272017
Integrated computational modeling of water side corrosion in zirconium metal clad under nominal LWR operating conditions
A Aryanfar, J Thomas, A Van der Ven, D Xu, M Youssef, J Yang, B Yildiz, ...
Jom 68, 2900-2911, 2016
202016
Docking 90 Sr radionuclide in cement: An atomistic modeling study
M Youssef, RJM Pellenq, B Yildiz
Physics and Chemistry of the Earth, Parts A/B/C 70, 39-44, 2014
152014
Thermomechanical stabilization of electron small polarons in assessed by the quasiharmonic approximation
M Youssef, B Yildiz, KJ Van Vliet
Physical Review B 95 (16), 161110, 2017
142017
Accessible switching of electronic defect type in via biaxial strain
YT Chi, M Youssef, L Sun, KJ Van Vliet, B Yildiz
Physical Review Materials 2 (5), 055801, 2018
92018
A complete ab initio thermodynamic and kinetic catalogue of the defect chemistry of hematite α-Fe 2 O 3, its cation diffusion, and sample donor dopants
S Shousha, S Khalil, M Youssef
Physical Chemistry Chemical Physics 23 (45), 25518-25532, 2021
82021
Complex Oxides under Simulated Electric Field: Determinants of Defect Polarization in ABO3 Perovskites
YT Chi, KJ Van Vliet, M Youssef, B Yildiz
Advanced Science 9 (4), 2104476, 2022
72022
Tuning metal oxide defect chemistry by thermochemical quenching
S Shousha, S Khalil, M Youssef
Physical Chemistry Chemical Physics 22 (11), 6308-6317, 2020
62020
Maximizing the electronic charge carriers in donor-doped hematite under oxygen-rich conditions via doping and co-doping strategies revealed by density functional theory …
H El-Gibally, S Shousha, NK Allam, M Youssef
Journal of Applied Physics 131 (15), 2022
52022
Structure, Kinetics, and Thermodynamics of Water and Its Ions at the Interface with Monoclinic ZrO2 Resolved via Ab Initio Molecular Dynamics
J Yang, M Youssef, B Yildiz
The Journal of Physical Chemistry C 125 (28), 15233-15242, 2021
42021
Predicting the equilibria of point defects in zirconium oxide: a route to understand the corrosion and hydrogen pickup of zirconium alloys
MYM Youssef
Massachusetts Institute of Technology, 2014
42014
Electro-chemo-mechanical effects of lithium incorporation in zirconium oxide
J Yang, M Youssef, B Yildiz
Physical Review Materials 2 (7), 075405, 2018
22018
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Articles 1–20