Google Scholar Citations
Peer-reviewed journal articles
48. Y.X. Zhang, D. Schwen, X.M. Bai, "Effects of Solute-SIA Binding Energy on Defect Production Behaviors in Fe-based alloys", Journal of Nuclear Materials 509, 124-133 (2018).
47. W. Chen and X.M. Bai, "Temperature and Composition Dependent Thermal Conductivity Model for U-Zr Alloys", Journal of Nuclear Materials 507, 360-370 (2018).
46. Y. Gao, Y. Zhang, D. Schwen, C. Jiang, C. Sun, J. Gan, X.M. Bai, "Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation", Scientific Reports 8, 6629 (2018).
45. K. Ning, X.M. Bai, K. Lu, "Study of self-ion irradiated nanostructured ferritic alloy (NFA) and silicon carbide-nanostructured ferritic alloy (SiC-NFA) cladding materials", Nuclear Instruments and Methods in Physics Research Section B 427, 44-52 (2018).
44. Y.X. Zhang, D. Schwen, X.M. Bai, "Molecular Dynamics Simulations of Concentration-Dependent Defect Production in Fe-Cr and Fe-Cu alloys", Journal of Applied Physics 122, 225902, (2017).
43. L. He, X.M. Bai, J. Pakarinen, B. Jaques, J. Gan, A.T. Nelson, A. El-Azab, and T.R. Allen, "Bubble Evolution in Kr-irradiated UO2 during Annealing", Journal of Nuclear Materials, 496, 242-250 (2017).
42. X.M. Bai, H. Ke, Y. Zhang, B.W. Spencer, "Modeling Copper Precipitation Hardening and Embrittlement in A Dilute Fe-0.3at.%Cu Alloy Under Neutron Irradiation", Journal of Nuclear Materials 495, 442-454 (2017).
41. Y. Zhang, C. Jiang, X. Bai,, "Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations", Scientific Reports 7, 41033 (2017).
40. A. Aitkaliyeva*, L. He*, H. Wen*, B. Miller*, X. M. Bai*, T. R. Allen*, "Irradiation effects in Generation IV nuclear reactor materials", Book chapter of "Structural Materials for Generation IV Nuclear Reactors" (Elsevier), (2017, review article) (*Authors contributed equally).
39. X. M. Bai, M. R. Tonks, Y. Zhang, J. D. Hales, “Multiscale Modeling of Thermal Conductivity of High Burnup Structures in UO2 Fuels”, Journal of Nuclear Materials 470, 208-215 (2016).
38. A. Chernatynskiy*, X. M. Bai*, J. Gan, “Systematic Investigation of the Misorientation- and Temperature-Dependent Kapitza Resistance in CeO2”, International Journal of Heat and Mass Transfer 99, 461-469 (2016) (*Authors contributed equally).
37. H. Yeom, B. Maier, R. Mariani, D. Bai, K. Sridharan "Evolution of multilayered scale structures during high temperature oxidation of ZrSi2", Journal of Materials Research 31, 3409-3419 (2016).
36. Y. Zhang, X. M. Bai, J. Yu, M. R. Tonks, M. J. Noordhoek, and S. R. Phillpot, “Homogeneous hydride nucleation pathway in Zr: molecular dynamics simulations with the charge-optimized-many-body-potential”, Acta Materialia 111, 357-365 (2016).
35. J. Yu, X.M. Bai, A. El-Azab, and T.R. Allen, "Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics", Journal of Chemical Physics 142, 094705 (2015).
34. M. R. Tonks, Y. Zhang, A. Butterfield, X. M. Bai, “Development of a Grain Boundary Pinning Model that Considers Particle Size Distribution Using the Phase Field Method”, Modelling and Simulation in Materials Science and Engineering, 23, 045009 (2015).
33. Y. Zhang, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, “Preferential segregation of Cu solute at lattice defects in BCC Fe: An atomistic study”, Computational Materials Science 101, 181-188 (2015).
32. X. M. Bai, Y. Zhang, M. R. Tonks, “Testing Thermal Gradient Driving Force for Grain Boundary Migration using Molecular Dynamics Simulations”, Acta Materialia 85, 95-106 (2015).
31. Y. Zhang, X. M. Bai, M. R. Tonks, S. B. Biner, “Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron”, Scripta Materialia 98, 5-8 (2015).
30. X. M. Bai, “Recent Progress in Using Advanced Characterization and Modeling Approaches to Study Radiation Effects in Oxide Ceramics”, JOM, 66, 2543-2545 (2014).
29. L.F. He, J. Pakarinen, M.A. Kirk, J. Gan, A.T. Nelson, X.M. Bai, A. El-Azab, T.R. Allen, “Microstructure evolution in Xe-irradiated UO2 at room temperature”, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 330, 55-60 (2014).
28. C. M. Barr, G. A. Vetterick, K. A. Unocic, K. Hattar, X. M. Bai, and M. L. Taheri, “Anisotropic Radiation Induced Segregation in 316L Austenitic Stainless Steel with Grain Boundary Character”, Acta Materialia 67, 145-155 (2014).
27. Y. Zhang, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, “Molecular dynamics simulations of intergranular fracture in UO2 with seven rigid-ion potentials”, Journal of Nuclear Materials 452, 296–303 (2014).
26. M. R. Tonks, Y. Zhang, X. M. Bai, P. C. Millett, “Demonstrating the Temperature Gradient Impact on Grain Growth in UO2 Using the Phase Field Method”, Materials Research Letters 2, 23 (2014).
25. X. M. Bai, Y. Zhang, M. R. Tonks, “Strain effects on oxygen transport in tetragonal zirconium dioxide”, Physical Chemistry Chemical Physics 15, 19438 (2013).
24. S. A. Taller and X. M. Bai*, “Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO2”, Journal of Nuclear Materials 443, 84 (2013). (*Undergraduate summer intern mentor and corresponding author)
23. B. P. Uberuaga, X. M. Bai, N. Moore, D. M. Duffy, “Point defect-grain boundary interactions in MgO: an atomistic study”, Journal of Physics: Condensed Matter 25, 355001 (2013).
22. L. He, M. Gupta, C. A. Yablinsky, J. Gan, M. A. Kirk, X.M. Bai, J. Pakarinen, and T. R. Allen, “In-situ TEM observation of dislocation evolution in Kr-irradiated UO2 single crystal”, Journal of Nuclear Materials 443, 71 (2013).
21. V. Borovikov, X. Z. Tang, D. Perez, X. M. Bai, B. P. Uberuaga, A. F. Voter, “Coupled motion of grain boundaries in bcc tungsten as a possible radiation damage healing mechanism under fusion reactor conditions”, Nuclear Fusion 53, 063001 (2013).
20. X. M. Bai and B. P. Uberuaga, “On the influence of grain boundaries on radiation damage production in materials: a review of theoretical studies”, JOM 65, 360 (2013). (Invited review paper),
19. M. R. Tonks, Y. Zhang, S. B. Biner, P. C. Millett, X. M. Bai, “Guidance to design grain boundary mobility experiments with molecular dynamics and phase-field modeling,” Acta Materialia 61, 1373, (2013).
18. V. Borovikov, X. Z. Tang, D. Perez, X. M. Bai, B. P. Uberuaga, A. F. Voter, “Influence of point defects on grain boundary mobility in bcc tungsten”, Journal of Physics: Condensed Matter 25, 035402 (2013) .
17. X. M. Bai, A. El-Azab, J. Yu, T. R. Allen, “Migration mechanisms of oxygen interstitial clusters in UO2”, Journal of Physics: Condensed Matter 25, 015003 (2013).
16. X. M. Bai, L. J. Vernon, R. G. Hoagland, A. F. Voter, M. Nastasi, and B. P. Uberuaga, “The role of atomic structure on grain boundary-defect interactions in Cu”, Physical Review B 85, 214103 (2012).
15. X. M. Bai and B. P. Uberuaga, “Multi-time scale investigation of radiation damage near TiO2 rutile grain boundaries”, Philosophical Magazine 92, 1469 (2012).
14. B. P. Uberuaga, S. Choudhury, X. M. Bai, N. A. Benedek, “Grain boundary stoichiometry and interactions with defects in SrTiO3”, Scripta Materialia, 66, 105 (2012).
13. Z. Di, X. M. Bai, Q. Wei, J. Won, R. G. Hoagland, Y. Wang, A. Misra, B. P. Uberuaga, M. Nastasi, “Tunable helium bubble superlattice ordered by screw dislocation network”, Physical Review B, 84, 052101 (2011).
12. B. P. Uberuaga and X. M. Bai, “Defects in rutile and anatase polymorphs of TiO2: kinetics and thermodynamics near grain boundaries”, Journal of Physics: Condensed Matter, 23, 435004 (2011).
11. X. M. Bai, A. F. Voter, R. G. Hoagland, M. Nastasi, and B. P. Uberuaga, “Efficient annealing of radiation damage near grain boundaries via interstitial emission”, Science, 327, 1631 (2010).
10. X. M. Bai, L. M. Keer, Q. J. Wang, and R. Q. Snurr, “Investigation of particle damping mechanisms via particle dynamics simulations”, Granular Matter, 11, 417 (2009).
9. B. Shah, D. Pillet, X. M. Bai, L. M. Keer, Q. J. Wang, R. Q. Snurr, “Construction and characterization of a particle-based thrust damping system”, Journal of Sound and Vibration, 326, 489 (2009).
8. X. M. Bai, B. Shah, L. M. Keer, Q. J. Wang, R. Q. Snurr, “Particle dynamics simulations of a piston-based particle damper”, Powder Technology, 189, 115 (2009).
7. X. M. Bai and M. Li, “Comparing crystal-melt interfacial free energies through homogenous nucleation rates”, Journal of Physics: Condensed Matter, 20, 375103 (2008).
6. X. M. Bai and M. Li, “Ring-diffusion mediated homogeneous melting in the superheating regime”, Physical Review B, 77, 134109 (2008).
5. X. M. Bai and M. Li, “Nucleation and melting from nanovoids”, Nano Letters, 6, 2284 (2006).
4. X. M. Bai and M. Li, “Calculation of solid-liquid interfacial free energy: a classical nucleation theory based approach”, Journal of Chemical Physics, 124, 124707 (2006).
3. X. M. Bai and M. Li, “Differences between solid superheating and liquid supercooling”, Journal of Chemical Physics, 123, 151102 (2005).
2. X. M. Bai and M. Li, “Nature and extent of melting in superheated solids: Liquid-solid coexistence model”, Physical Review B, 72, 052108 (2005).
1. X. M. Bai and M. Li, “Test of classical nucleation theory via molecular-dynamics simulation”, Journal of Chemical Physics, 122, 224510 (2005).
Peer-reviewed conference proceedings
4. X.M. Bai, Y. Zhang, and M. R. Tonks, “Computer Modeling of Transport of Oxidizing Species in Grain Boundaries during Zirconium Corrosion”, 2014 American Nuclear Society Transactions, 2014.
3. X.M. Bai, Y. Zhang, and M. R. Tonks, “Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion”, Proceeding for the Third International Workshop on Structural Materials for Innovative Nuclear Systems (SMINS-3), 2013.
2. Y. Zhang, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, “Intergranular fracture in UO2: derivation of traction-separation law from atomistic simulations”, Proceeding for the Global 2013 - International Nuclear Fuel Cycle Conference, 2013.
1. R. D. Mariani, P. Medvedev, D. L. Porter, S. L. Hayes, J. I. Cole, D. Bai, Proceeding for the 2013 LWR Fuel Performance Meeting / TopFuel, 2013.
Peer-reviewed journal articles
48. Y.X. Zhang, D. Schwen, X.M. Bai, "Effects of Solute-SIA Binding Energy on Defect Production Behaviors in Fe-based alloys", Journal of Nuclear Materials 509, 124-133 (2018).
47. W. Chen and X.M. Bai, "Temperature and Composition Dependent Thermal Conductivity Model for U-Zr Alloys", Journal of Nuclear Materials 507, 360-370 (2018).
46. Y. Gao, Y. Zhang, D. Schwen, C. Jiang, C. Sun, J. Gan, X.M. Bai, "Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation", Scientific Reports 8, 6629 (2018).
45. K. Ning, X.M. Bai, K. Lu, "Study of self-ion irradiated nanostructured ferritic alloy (NFA) and silicon carbide-nanostructured ferritic alloy (SiC-NFA) cladding materials", Nuclear Instruments and Methods in Physics Research Section B 427, 44-52 (2018).
44. Y.X. Zhang, D. Schwen, X.M. Bai, "Molecular Dynamics Simulations of Concentration-Dependent Defect Production in Fe-Cr and Fe-Cu alloys", Journal of Applied Physics 122, 225902, (2017).
43. L. He, X.M. Bai, J. Pakarinen, B. Jaques, J. Gan, A.T. Nelson, A. El-Azab, and T.R. Allen, "Bubble Evolution in Kr-irradiated UO2 during Annealing", Journal of Nuclear Materials, 496, 242-250 (2017).
42. X.M. Bai, H. Ke, Y. Zhang, B.W. Spencer, "Modeling Copper Precipitation Hardening and Embrittlement in A Dilute Fe-0.3at.%Cu Alloy Under Neutron Irradiation", Journal of Nuclear Materials 495, 442-454 (2017).
41. Y. Zhang, C. Jiang, X. Bai,, "Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations", Scientific Reports 7, 41033 (2017).
40. A. Aitkaliyeva*, L. He*, H. Wen*, B. Miller*, X. M. Bai*, T. R. Allen*, "Irradiation effects in Generation IV nuclear reactor materials", Book chapter of "Structural Materials for Generation IV Nuclear Reactors" (Elsevier), (2017, review article) (*Authors contributed equally).
39. X. M. Bai, M. R. Tonks, Y. Zhang, J. D. Hales, “Multiscale Modeling of Thermal Conductivity of High Burnup Structures in UO2 Fuels”, Journal of Nuclear Materials 470, 208-215 (2016).
38. A. Chernatynskiy*, X. M. Bai*, J. Gan, “Systematic Investigation of the Misorientation- and Temperature-Dependent Kapitza Resistance in CeO2”, International Journal of Heat and Mass Transfer 99, 461-469 (2016) (*Authors contributed equally).
37. H. Yeom, B. Maier, R. Mariani, D. Bai, K. Sridharan "Evolution of multilayered scale structures during high temperature oxidation of ZrSi2", Journal of Materials Research 31, 3409-3419 (2016).
36. Y. Zhang, X. M. Bai, J. Yu, M. R. Tonks, M. J. Noordhoek, and S. R. Phillpot, “Homogeneous hydride nucleation pathway in Zr: molecular dynamics simulations with the charge-optimized-many-body-potential”, Acta Materialia 111, 357-365 (2016).
35. J. Yu, X.M. Bai, A. El-Azab, and T.R. Allen, "Oxygen transport in off-stoichiometric uranium dioxide mediated by defect clustering dynamics", Journal of Chemical Physics 142, 094705 (2015).
34. M. R. Tonks, Y. Zhang, A. Butterfield, X. M. Bai, “Development of a Grain Boundary Pinning Model that Considers Particle Size Distribution Using the Phase Field Method”, Modelling and Simulation in Materials Science and Engineering, 23, 045009 (2015).
33. Y. Zhang, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, “Preferential segregation of Cu solute at lattice defects in BCC Fe: An atomistic study”, Computational Materials Science 101, 181-188 (2015).
32. X. M. Bai, Y. Zhang, M. R. Tonks, “Testing Thermal Gradient Driving Force for Grain Boundary Migration using Molecular Dynamics Simulations”, Acta Materialia 85, 95-106 (2015).
31. Y. Zhang, X. M. Bai, M. R. Tonks, S. B. Biner, “Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron”, Scripta Materialia 98, 5-8 (2015).
30. X. M. Bai, “Recent Progress in Using Advanced Characterization and Modeling Approaches to Study Radiation Effects in Oxide Ceramics”, JOM, 66, 2543-2545 (2014).
29. L.F. He, J. Pakarinen, M.A. Kirk, J. Gan, A.T. Nelson, X.M. Bai, A. El-Azab, T.R. Allen, “Microstructure evolution in Xe-irradiated UO2 at room temperature”, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 330, 55-60 (2014).
28. C. M. Barr, G. A. Vetterick, K. A. Unocic, K. Hattar, X. M. Bai, and M. L. Taheri, “Anisotropic Radiation Induced Segregation in 316L Austenitic Stainless Steel with Grain Boundary Character”, Acta Materialia 67, 145-155 (2014).
27. Y. Zhang, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, “Molecular dynamics simulations of intergranular fracture in UO2 with seven rigid-ion potentials”, Journal of Nuclear Materials 452, 296–303 (2014).
26. M. R. Tonks, Y. Zhang, X. M. Bai, P. C. Millett, “Demonstrating the Temperature Gradient Impact on Grain Growth in UO2 Using the Phase Field Method”, Materials Research Letters 2, 23 (2014).
25. X. M. Bai, Y. Zhang, M. R. Tonks, “Strain effects on oxygen transport in tetragonal zirconium dioxide”, Physical Chemistry Chemical Physics 15, 19438 (2013).
24. S. A. Taller and X. M. Bai*, “Assessment of structures and stabilities of defect clusters and surface energies predicted by nine interatomic potentials for UO2”, Journal of Nuclear Materials 443, 84 (2013). (*Undergraduate summer intern mentor and corresponding author)
23. B. P. Uberuaga, X. M. Bai, N. Moore, D. M. Duffy, “Point defect-grain boundary interactions in MgO: an atomistic study”, Journal of Physics: Condensed Matter 25, 355001 (2013).
22. L. He, M. Gupta, C. A. Yablinsky, J. Gan, M. A. Kirk, X.M. Bai, J. Pakarinen, and T. R. Allen, “In-situ TEM observation of dislocation evolution in Kr-irradiated UO2 single crystal”, Journal of Nuclear Materials 443, 71 (2013).
21. V. Borovikov, X. Z. Tang, D. Perez, X. M. Bai, B. P. Uberuaga, A. F. Voter, “Coupled motion of grain boundaries in bcc tungsten as a possible radiation damage healing mechanism under fusion reactor conditions”, Nuclear Fusion 53, 063001 (2013).
20. X. M. Bai and B. P. Uberuaga, “On the influence of grain boundaries on radiation damage production in materials: a review of theoretical studies”, JOM 65, 360 (2013). (Invited review paper),
19. M. R. Tonks, Y. Zhang, S. B. Biner, P. C. Millett, X. M. Bai, “Guidance to design grain boundary mobility experiments with molecular dynamics and phase-field modeling,” Acta Materialia 61, 1373, (2013).
18. V. Borovikov, X. Z. Tang, D. Perez, X. M. Bai, B. P. Uberuaga, A. F. Voter, “Influence of point defects on grain boundary mobility in bcc tungsten”, Journal of Physics: Condensed Matter 25, 035402 (2013) .
17. X. M. Bai, A. El-Azab, J. Yu, T. R. Allen, “Migration mechanisms of oxygen interstitial clusters in UO2”, Journal of Physics: Condensed Matter 25, 015003 (2013).
16. X. M. Bai, L. J. Vernon, R. G. Hoagland, A. F. Voter, M. Nastasi, and B. P. Uberuaga, “The role of atomic structure on grain boundary-defect interactions in Cu”, Physical Review B 85, 214103 (2012).
15. X. M. Bai and B. P. Uberuaga, “Multi-time scale investigation of radiation damage near TiO2 rutile grain boundaries”, Philosophical Magazine 92, 1469 (2012).
14. B. P. Uberuaga, S. Choudhury, X. M. Bai, N. A. Benedek, “Grain boundary stoichiometry and interactions with defects in SrTiO3”, Scripta Materialia, 66, 105 (2012).
13. Z. Di, X. M. Bai, Q. Wei, J. Won, R. G. Hoagland, Y. Wang, A. Misra, B. P. Uberuaga, M. Nastasi, “Tunable helium bubble superlattice ordered by screw dislocation network”, Physical Review B, 84, 052101 (2011).
12. B. P. Uberuaga and X. M. Bai, “Defects in rutile and anatase polymorphs of TiO2: kinetics and thermodynamics near grain boundaries”, Journal of Physics: Condensed Matter, 23, 435004 (2011).
11. X. M. Bai, A. F. Voter, R. G. Hoagland, M. Nastasi, and B. P. Uberuaga, “Efficient annealing of radiation damage near grain boundaries via interstitial emission”, Science, 327, 1631 (2010).
10. X. M. Bai, L. M. Keer, Q. J. Wang, and R. Q. Snurr, “Investigation of particle damping mechanisms via particle dynamics simulations”, Granular Matter, 11, 417 (2009).
9. B. Shah, D. Pillet, X. M. Bai, L. M. Keer, Q. J. Wang, R. Q. Snurr, “Construction and characterization of a particle-based thrust damping system”, Journal of Sound and Vibration, 326, 489 (2009).
8. X. M. Bai, B. Shah, L. M. Keer, Q. J. Wang, R. Q. Snurr, “Particle dynamics simulations of a piston-based particle damper”, Powder Technology, 189, 115 (2009).
7. X. M. Bai and M. Li, “Comparing crystal-melt interfacial free energies through homogenous nucleation rates”, Journal of Physics: Condensed Matter, 20, 375103 (2008).
6. X. M. Bai and M. Li, “Ring-diffusion mediated homogeneous melting in the superheating regime”, Physical Review B, 77, 134109 (2008).
5. X. M. Bai and M. Li, “Nucleation and melting from nanovoids”, Nano Letters, 6, 2284 (2006).
4. X. M. Bai and M. Li, “Calculation of solid-liquid interfacial free energy: a classical nucleation theory based approach”, Journal of Chemical Physics, 124, 124707 (2006).
3. X. M. Bai and M. Li, “Differences between solid superheating and liquid supercooling”, Journal of Chemical Physics, 123, 151102 (2005).
2. X. M. Bai and M. Li, “Nature and extent of melting in superheated solids: Liquid-solid coexistence model”, Physical Review B, 72, 052108 (2005).
1. X. M. Bai and M. Li, “Test of classical nucleation theory via molecular-dynamics simulation”, Journal of Chemical Physics, 122, 224510 (2005).
Peer-reviewed conference proceedings
4. X.M. Bai, Y. Zhang, and M. R. Tonks, “Computer Modeling of Transport of Oxidizing Species in Grain Boundaries during Zirconium Corrosion”, 2014 American Nuclear Society Transactions, 2014.
3. X.M. Bai, Y. Zhang, and M. R. Tonks, “Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion”, Proceeding for the Third International Workshop on Structural Materials for Innovative Nuclear Systems (SMINS-3), 2013.
2. Y. Zhang, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, “Intergranular fracture in UO2: derivation of traction-separation law from atomistic simulations”, Proceeding for the Global 2013 - International Nuclear Fuel Cycle Conference, 2013.
1. R. D. Mariani, P. Medvedev, D. L. Porter, S. L. Hayes, J. I. Cole, D. Bai, Proceeding for the 2013 LWR Fuel Performance Meeting / TopFuel, 2013.