Journal Publications

R.K.Z. Davani, E. Entezari, J.A. Szpunar, “A Cost-Effective Model for Statistical Analysis of Microstructure of X70 Pipeline Steels for Improving Toughness in Low-Temperature and Hydrogen Environments,” Journal of Materials Today Communications. Under review.
Abdel Elfatah Bakhite Adam, J.A. Szpunar, “Investigation of Fission products’ impact on the thermal properties of (γ) U-10Zr nuclear fuel by Ab initio molecular dynamics,” Journal of Materials for Nuclear Energy. Under review.
A. Thottathil, D. Sidhik, B. Szpunar, J.A. Szpunar, “Oxygen substitution-induced structural, mechanical, and electronic evolution in UC1-xOx: A first-principles study for TRISO UCO fuel applications,” Annals of Nuclear Energy, 240 (2027) 112700. doi:10.1016/j.anucene.2026.112700 .
A.E.B. Adam, J.A. Szpunar, “Fission product effects on thermal conductivity and diffusion in γ-U–10Zr: A First-Principles study,” Nuclear Materials and Energy. In Press, available online 17 July 2026, 102191.
R.Z. Davani, E.G. Ohaeri, S. Yadav, E. Entezari, J.A. Szpunar, M.J. Gaudet, M. Rashid, “Evaluation of the relationship between fracture toughness and hydrogen-induced damage in X70 line pipe steel for low-temperature service,” Materials, 19 (2026) 552.
K.F. Zare, A. Bahrami, A. Eslami, J. Szpunar, “Structural Evolution and Lithiation Mechanism of LTO-Graphite Composite Anodes Used in Lithium-Ion Batteries.” Available at SSRN: https://ssrn.com/abstract=6776679 or doi:10.2139/ssrn.6776679 .
S. Dhanish, J. Szpunar, “Identifying Dominant Drivers of Hydrogen-Assisted Failure in API X80 Steel Using Phase-Field Simulation and Surrogate Analysis,” Journal of Failure Analysis and Prevention (2026). doi:10.1007/s11668-026-02454-1 .
A. Thottathil, J.A. Szpunar, B. Szpunar, “Finite temperature point defect thermodynamics and lattice response of U-10Zr from Ab initio molecular dynamics,” Nuclear Engineering and Technology, 2026, 104225. In Press. View article .
J.L. González-Velázquez, D.I. Rivas-López, M.A. Beltrán-Zúñiga, E. Entezari, J. Szpunar, “A study of Hydrogen-Induced Cracking mechanism in Old and New Generation Pipeline Steels,” Procedia Structural Integrity, 79 (2026) 526–533. doi:10.1016/j.prostr.2026.01.088 .
S. Dhanish, B. Szpunar, J. Szpunar, “Fission Gas-Induced Transport Degradation in δ-UZr₂: Insights from First-Principles Modeling,” Journal of Nuclear Materials, 624 (2026) 156499. doi:10.1016/j.jnucmat.2026.156499 .
E. Entezari, R.K.Z. Davani, A.E.B. Adam, J.A. Szpunar, “Synergistic effects of ferrite grain features and corrosive-media chemistry on the corrosion resistance of Nb-microalloyed X70 pipeline steel: an experimental, machine-learning, and density functional theory-based study,” Journal of Pipeline Science and Engineering, available online 23 (2026) 100450. doi:10.1016/j.jpse.2026.100450 .