Jia-Hong Ke

Profile Information
Name
Dr. Jia-Hong Ke
Institution
Idaho National Laboratory
Position
Computational Scientist
Affiliation
Idaho National Laboratory
h-Index
14
ORCID
0000-0002-8931-7885
Additional Publications:
"The role of excess vacancies in stabilizing solute clusters in low-alloy steels" Anshul Kamboj, Mukesh Bachhav, Jia-Hong Ke, [2025] Scripta Materialia · DOI: 10.1016/j.scriptamat.2025.116797
"Diffusion behavior of lanthanide fission products in bcc Fe cladding: A first-principles study" Rongjie Song, Jia-Hong Ke, [2025] Computational Materials Science · DOI: 10.1016/j.commatsci.2025.114071
"Phase-field modeling of radiation-induced composition redistribution: An application to additively manufactured austenitic Fe–Cr–Ni" Daniel Schwen, Jia-Hong Ke, Lingfeng He, Andrea M. Jokisaari, Sourabh Bhagwan Kadambi, [2025] Computational Materials Science · DOI: 10.1016/j.commatsci.2025.113895
"Xenon–metal pair formation in UO2 investigated using DFT + U" Shuxiang Zhou, Himani Mishra, Mukesh Bachhav, Jia Hong Ke, Chao Jiang, Lingfeng He, Sudipta Biswas, Linu Malakkal, [2025] Journal of Applied Physics · DOI: 10.1063/5.0251289

A recent experimental study on a spent uranium dioxide (UO2) fuel sample from Belgium Reactor 3 identified a unique pair structure formed by the noble metal phase (NMP) and fission gas [xenon (Xe)] precipitate. However, the fundamental mechanism behind this structure remains unclear. The present study aims to provide an understanding of the interaction between five different metal precipitates [molybdenum (Mo), ruthenium (Ru), palladium (Pd), technetium (Tc), and rhodium (Rh)] and the Xe fission gas atoms in UO2, by using density functional theory (DFT) in combination with the Hubbard U correction to compute the formation energies involved. All DFT + U calculations were performed with occupation matrix control to ensure antiferromagnetic ordering of UO2. The calculated formation and binding energies of the Xe and solid fission products in the NMP reveal that these metal precipitates form stable pair structures with Xe. Notably, the formation energy of Xe–metal pairs is lower than that of the isolated single defects in all instances, with Pd and Mo showing the most favorable binding energy, likely accounting for the observed pair structure formation.

"Multiscale, mechanistic modeling of irradiation-enhanced silver diffusion in TRISO particles" Jia-Hong Ke, Chao Jiang, Larry K. Aagesen, Wen Jiang, Pierre-Clément A. Simon, [2025] Journal of Nuclear Materials · DOI: 10.1016/j.jnucmat.2024.155464
"Physics-based modeling and data analytics [Slides]" Dewen Yushu, Md Kayser, Zachary Prince, Lynn Munday, Jia-Hong Ke, Andrea Jokisaari, [2024] · DOI: 10.2172/2396335
"Microstructure modeling of nuclear structural materials: Recent progress and future directions" Jia-Hong Ke, [2023] Computational Materials Science · DOI: 10.1016/j.commatsci.2023.112503
"Preliminary results addressing material qualification using combined ion irradiation and modeling data" Peter Baldo, Weiying Chen, Yiren Chen, Dzmitry Harbaruk, Sourabh Kadambi, Jia-Hong Ke, Mathew Swisher, Josh Hlavenka, Andrea Jokisaari, [2023] · DOI: 10.2172/2386988
"Effects of Aluminum and Molybdenum on the Phase Stability of Iron-Chromium Alloys: A First-Principles Study" Andrea M. Jokisaari, Jia-Hong Ke, [2023] JOM · DOI: 10.1007/s11837-023-05909-0
"Multi-scale fission product release model with comparison to AGR data" Larry Aagesen, Jr., Chaitanya Bhave, Chao Jiang, Wen Jiang, Jia-Hong Ke, Lin Yang, Pierre-Clement Simon, [2023] · DOI: 10.2172/2203700
"First-principles study of 3sp impurity (S, P, Si, Al) effects on vacancy-mediated diffusion in Ni and Ni-33Cr alloys" Julie D. Tucker, Jia-Hong Ke, [2022] Computational Materials Science · DOI: 10.1016/j.commatsci.2022.111768 · ISSN: 0927-0256
"Cluster dynamics modeling of Mn-Ni-Si precipitates coupled with radiation-induced segregation in low-Cu reactor pressure vessel steels" Benjamin W. Spencer, Jia-Hong Ke, [2022] Journal of Nuclear Materials · DOI: 10.1016/j.jnucmat.2022.153910 · ISSN: 0022-3115
"Summary of Development for Structural Component Modeling in Fiscal Year 2022" Jia-Hong Ke, Max Nezdyur, Daniel Schwen, Hrishiv Neupane, Amit Jain, Benjamin Spencer, [2022] · DOI: 10.2172/1915021
"Mechanistic calculation of the effective silver diffusion coefficient in polycrystalline silicon carbide: Application to silver release in AGR-1 TRISO particles" Larry K. Aagesen, Chao Jiang, Wen Jiang, Jia-Hong Ke, P.-C.A. Simon, [2022] Journal of Nuclear Materials · DOI: 10.1016/j.jnucmat.2022.153669 · ISSN: 0022-3115
"Atomistic and mesoscale simulations to determine effective diffusion coefficient of fission products in SiC" Jia-Hong Ke, Pierre-Clement Simon, Wen Jiang, Larry Aagesen, Jr., Chao Jiang, [2021] · DOI: 10.2172/1825508
"Grizzly Development for Light Water Reactor and Advanced Reactor Applications in Fiscal Year 2021" Jia-Hong Ke, Amit Jain, Benjamin Spencer, William Hoffman, Daniel Schwen, Lynn Munday, [2021] · DOI: 10.2172/1825514
"Summary of Structural Material Modeling Development for the NEAMS Program in Fiscal Year 2020" Jia-Hong Ke, Sudipta Biswas, William Hoffman, Antonio Recuero, Daniel Schwen, Lynn Munday, Som Dhulipala, Stephanie Pitts, Albert Casagranda, Ling Liu, Jinlong He, Benjamin Spencer, [2020] · DOI: 10.2172/1693413
"Lower length scale informed improvements to Bison U-Pu-Zr fuel swelling model" Andrea Jokisaari, Jia-Hong Ke, Larry Aagesen, JR., [2020] · DOI: 10.2172/1670431
"Summary of BISON Milestones: NEAMS FY2020 Report" Larry Aagesen, Jr, Jia-Hong Ke, Wen Jiang, Jason Hales, Aysenur Toptan, Kyle Gamble, X. Liu, Stephen Novascone, C. Matthews, D. Stafford, Albert Casagranda, [2020] · DOI: 10.2172/1768565
"Effect of stoichiometry on the evolution of thermally annealed long-range ordering in Ni–Cr alloys" David J. Sprouster, George A. Young, Jia-Hong Ke, Julie D. Tucker, Fei Teng, [2019] Materialia · DOI: 10.1016/j.mtla.2019.100453
"Ab initio study of phosphorus effect on vacancy-mediated process in nickel alloys – An insight into Ni2Cr ordering" George A. Young, Julie D. Tucker, Jia-Hong Ke, [2019] Acta Materialia · DOI: 10.1016/j.actamat.2019.04.036
"Correlation of in-situ transmission electron microscopy and microchemistry analysis of radiation-induced precipitation and segregation in ion irradiated advanced ferritic/martensitic steels" Jia-Hong Ke, Stuart A. Maloy, Djamel Kaoumi, Ce Zheng, [2019] Scripta Materialia · DOI: 10.1016/j.scriptamat.2018.12.018 · ISSN: 1359-6462
"Flux effects in precipitation under irradiation – Simulation of Fe-Cr alloys" Elaina R. Reese, Emmanuelle A. Marquis, G. Robert Odette, Dane Morgan, Jia-Hong Ke, [2019] Acta Materialia · DOI: 10.1016/j.actamat.2018.10.063
"Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiation" Huibin Ke, G. Robert Odette, Dane Morgan, Jia-Hong Ke, [2018] Journal of Nuclear Materials · DOI: 10.1016/j.jnucmat.2017.10.008
"Pattern formation during interfacial reaction in-between liquid Sn and Cu substrates – A simulation study" Y. Gao, C.R. Kao, Y. Wang, J.H. Ke, [2016] Acta Materialia · DOI: 10.1016/j.actamat.2016.05.004
"Mechanism of volume shrinkage during reaction between Ni and Ag-doped Sn" J.H. Ke, C.A. Yang, C.R. Kao, C.C. Li, [2015] Materials Letters · DOI: 10.1016/j.matlet.2015.05.016 · EID: 2-s2.0-84929990841
"Effects of Sn grain orientation on substrate dissolution and intermetallic precipitation in solder joints under electron current stressing" T.L. Yang, J.H. Ke, C.H. Hsueh, C.R. Kao, T.C. Huang, [2014] · DOI: 10.1016/j.scriptamat.2014.02.010 · EID: 2-s2.0-84897915232
"Phase field microelasticity model of dislocation climb: Methodology and applications" A. Boyne, Y. Wang, C.R. Kao, J.H. Ke, [2014] Acta Materialia · DOI: 10.1016/j.actamat.2014.07.003 · EID: 2-s2.0-84906670573
"Precipitation induced by diffusivity anisotropy in Sn grains under electron current stressing" T.L. Yang, J.H. Ke, C.C. Li, C.R. Kao, T.C. Huang, [2013] · DOI: 10.1016/j.jallcom.2012.12.060 · EID: 2-s2.0-84873920774
"Serrated cathode dissolution under high current density: Morphology and root cause" J. H. Ke, W. L. Shih, Y. S. Lai, C. R. Kao, T. L. Yang, [2013] · DOI: 10.1063/1.4813118 · EID: 2-s2.0-84882253763

Excessive cathode dissolution due to high current densities is investigated. Such excessive dissolution is one of the key electromigration-induced degradation processes in micro systems, and exhibits a distinctive serrated morphology. In this study, Cu cathode and Cu anode connected with Sn is stressed at a 4.5 × 104 A/cm2 current density for time as long as 1500 h. Careful sequential micro polishing is able to establish for the first time that the serrated cathode interface in fact is the expression of rod-like indentations in three-dimensional morphology. This unique morphology supports the proposition that fast Cu diffusion through Cu6Sn5 grain boundaries is the root cause for this excessive dissolution.

"Mechanism for serrated cathode dissolution in Cu/Sn/Cu interconnect under electron current stressing" H.Y. Chuang, W.L. Shih, C.R. Kao, J.H. Ke, [2012] · DOI: 10.1016/j.actamat.2011.12.021 · EID: 2-s2.0-84857429892
"Analysis and experimental verification of the competing degradation mechanisms for solder joints under electron current stressing" T.L. Yang, Y.S. Lai, C.R. Kao, J.H. Ke, [2011] · DOI: 10.1016/j.actamat.2010.12.048 · EID: 2-s2.0-79951674215
"Electromigration in flip chip solder joints under extra high current density" J. H. Ke, H. Y. Chuang, Y. S. Lai, C. R. Kao, Y. W. Lin, [2010] · DOI: 10.1063/1.3371711 · EID: 2-s2.0-77951528152

Electromigration in flip chip solder joints under extra high current density (4.5×104 A/cm2) is studied. At such a high current density level, due to Joule heating, the chip temperature is strongly coupled to the applied current density. Accordingly, it is highly desirable to have the capability to decouple the chip temperature and the current density. Two experimental setups were used in this study, one with a cooling module to keep the chip temperature constant and the other one without a cooling module. Without the cooling module, the temperature increased rapidly with the applied current. When the current density reached 4.5×104 A/cm2, a rapid failure caused by excessive Joule heating was observed only after 10 min of current stressing. With the cooling module attached, the joint exhibited a much longer life (935 h) under 4.5×104 A/cm2. It was successfully demonstrated that the cooling module was able to decouple the applied current density and the chip temperature.

"Temperature effects on electromigration behavior of solder joints" C. Robert Kao, Jia-Hong Ke, [2010] · DOI: 10.1109/impact.2010.5699647 · EID: 2-s2.0-79951656069
"Transmission electron microscopy characterization of Ni(V) metallization stressed under high current density in flip chip solder joints" Y. L. Lin, Y. W. Lin, J. H. Ke, C. R. Kao, M. Y. Tsai, [2010] · DOI: 10.1007/s11664-010-1376-0 · EID: 2-s2.0-78049528928
Source: ORCID/CrossRef using DOI