Microstructural Materials Modeling
Professor Yongfeng Zhang's research group

Publications

Good Scholar: https://scholar.google.com/citations?hl=en&user=MU4EVxcAAAAJ

Journal publications (* as corresponding authors)

  1. Sun, D. J. Sprouster, Y. Zhang, C. Di, Y. Wang, L. E. Ecker, and J. Gan, Formation window of gas bubble superlattice in molybdenum under ion implantation, Phys. Rev. Mat., in press.
  2. Jiang, T. Hu, L. K. Aagesen and Y. Zhang, Three-dimensional Phase-field Modeling of Porosity Dependent Intergranular Fracture in UO2, Computational Materials Science, in press.
  3. G. Abdoelatef, F. Badry, D. Schwen, C. Permann, Y. Zhang, and K. Ahmed, Mesoscale Modeling of High Burn-Up Structure Formation and Evolution in UO2, JOM, in press.
  4. Beeler, D. Andersson, M. W. Cooper and Y. Zhang, A molecular dynamics study of the behavior of Xe in U3Si2, Journal of Nuclear Materials 523, 413-420 (2019).
  5. Gao*, Y. Zhang*, D. Schwen, C. Jiang and J. Gan, Bifurcation and Pattern Symmetry Selection in Reaction-Diffusion Systems with Kinetic Anisotropy, Scientific Reports 9(1),7835 (2019).
  6. J. Sprouster, C. Sun, Y. Zhang, S.N. Chodankar, J. Gan and L.E. Ecker, Irradiation-Dependent Helium Gas Bubble Superlattice in Tungsten, Scientific reports 9 (1), 2277 (2019).
  7. Zhang, D. Schwen, Y. Zhang, X.-M. Bai, Effects of oversized tungsten on the primary damage behavior in Fe-W alloys, Journal of Alloys and Compounds 794, 482-490 (2019).
  8. J. Heuser, T. R. Prisk, J.-L. Lin, T. J. Dax, and Y. Zhang, Direct measurement of hydrogen diffusivity and solubility limits in Zircaloy 2 (formula unit of ZrH0.0155) using incoherent quasi-elastic neutron scattering, Journal of Nuclear Materials 518, 177-189 (2019).
  9. K. Aagesen, D. Schwen, M. R. Tonks, and Y. Zhang, Phase-field modeling of fission gas bubble growth on grain boundaries and triple junctions in UO2 nuclear fuel, Computational Materials Science 161, 35-45 (2019).
  10. Beeler, M. Baskes, D. Andersson, M. W.D. Cooper, and Y. Zhang, Molecular dynamics investigation of grain boundaries and surfaces in U3Si2, Journal of Nuclear Materials, 514, 290-298 (2019).
  11. Gao, Y. Wang and Y. Zhang, Deformation Pathway and Defect Generation in Crystals: A Combined Group Theory and Graph Theory Description, IUCrJ, 6, 99-104 (2019).
  12. Gao, Y. Zhang*, D. Schwen, C. Jiang and J. Gan, Formation and Self-organization of Void Superlattices under Irradiation: A Phase Field Study, Materialia 1, 77-88 (2018).
  13. Gao, Y. Zhang*, D. Schwen, C. Jiang, C. Sun, J. Gan, and X.M. Bai, Self-organization of void superlattice under irradiation, Scientific Reports 8, 6629 (2018).
  14. Gao, Y. Zhang, B. W. Beeler, Y. Wang, Self-organized multi-grain patterning with special grain boundaries produced by phase transformation cycling, Physical Review Materials 2, 073402 (2018).
  15. Beeler, Y. Zhang, and Y. Gao, An atomistic study of grain boundaries and surfaces in γ U-Mo, Journal of Nuclear Materials 507, 207-211 (2018).
  16. Beeler, Y. Zhang, M. Okuniewski, C. Deo, Calculation of the displacement energy of α and γ uranium, Journal of Nuclear Materials 508, 181-194 (2018).
  17. Jiang, Y. Zhang, Y. Gao and J. Gan, Ab initio theory of noble gas atoms in bcc transition metals, Phys. Chem. Chem. Phys. 20, 17048-17058 (2018).
  18. J. Antonio, K. Shrestha, J.M. Harp, C.A. Adkins, Y. Zhang, J. Carmack et al., Thermal and transport properties of U3Si2, Journal of Nuclear Materials 508, 154-158 (2018).
  19. Sun, D. J. Sprouster, K. Hattar, L. E. Ecker, L. He, Y. Gao, Y. Zhang and J. Gan, Formation of tetragonal gas bubble superlattice in bulk molybdenum under helium ion implantation, Scripta Materialia 149, 26-30 (2018).
  20. R. Phillpot, A. C. Antony, L. Shi, M. L. Fullarton, T. Liang, S. B. Sinnott, Y. Zhang and S. B. Biner, Charge Optimized Many Body (COMB) Potentials for Simulation of Nuclear Fuel and Clad, Computational Materials Science 148, 231-241(2018).
  21. Gan, C. Sun, L. He, Y. Zhang, C. Jiang, and Y. Gao, Thermal Stability of Helium Bubble Superlattice under TEM in-situ Heating, Journal of Nuclear Materials 505, 207-211 (2018).
  22. Novascone, P. Medvedev, J.W. Peterson, Y. Zhang, J. Hales, Modeling porosity migration in LWR and fast reactor MOX fuel using the finite element method, Journal of Nuclear Materials 508, 226-236 (2018).
  23. Greenquist, M. R. Tonks, Y. Zhang, Review of Sintering and Densification in Nuclear Fuels: Physical Mechanisms, Experimental Results, and Computational Models, Journal of Nuclear Materials 507, 381-395 (2018).
  24. Zhang*, C. Jiang, and X. Bai, Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations, Scientific Reports 7, 41033 (2017).
  25. R. Tonks, D. Andersson, S. R. Phillpot, Y. Zhang, R. Williamson, C. R. Stanek, B. P. Uberuaga, S. L. Hayes, Mechanistic materials modeling for nuclear fuel performance, Annals of Nuclear Energy 105, 11–24 (2017).
  26. Ahmed, M. R. Tonks, Y. Zhang, B. Biner, A. El-Azab, Particle-grain boundary interactions: A phase field study, Comp. Mater. Sci. 134, 25-37 (2017).
  27. Z. Xu, Y. Zhang, G. M. Cheng, S.N. Mathaudhu, R.O. Scattergood, C.C. Koch, E. J. Lavernia, Y. T. Zhu, On the origin and behavior of irradiation-induced c-component dislocation loops in magnesium, Acta Mater. 131, 457-466 (2017).
  28. 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).
  29. Beeler, M. Baskes, D. Andersson, M.W.D. Cooper, Y Zhang, A modified Embedded-Atom Method interatomic potential for uranium-silicide, Journal of Nuclear Materials 495, 267-276 (2017).
  30. Zhang*, X. M. Bai, J. Yu, M. R. Tonks, M. J. Noordhoek and S. R. Phillpot, Homogeneous hydride formation path in a-Zr: molecular dynamics simulations with the charge-optimized manybody potential, Acta Mater. 111, 357-365 (2016).
  31. M. Bai, M. R. Tonks, Y. Zhang and J. D. Hales, Multiscale modeling of thermal conductivity of high burnup structures in UO2 fuels, J. Nucl. Mater. 470, 208 (2016).
  32. Chakraborty, Y. Zhang and M. R. Tonks, Multi-scale modeling of microstructure dependent intergranular brittle fracture using a quantitative phase-field based method, Comp. Mater. Sci. 113, 38-52 (2016).
  33. B. Biner, W. Rao and Y. Zhang, The stability of precipitates and the role of lattice defects in Fe-1% Cu1% Ni1% Mn alloy: A phase-field model study, Journal of Nuclear Materials 468, 9-16 (2016).
  34. Zhang*, X. M. Bai, M. R. Tonks and S. B. Biner, Formation of prismatic loops from C15 Laves phase interstitial clusters in body-centered cubic iron, Scripta Mater. 98, 5 (2015).
  35. Zhang*, P. C. Millett, M. R. Tonks, X. M. Bai and S. B. Biner, Preferential Cu precipitation at extended defects in bcc Fe: An atomistic study, Comp. Mater. Sci. 101, 181-188 (2015).
  36. M. Bai, Y. Zhang and M. R. Tonks, Testing thermal gradient driving force for grain boundary migration using molecular dynamics simulations, Acta Mater. 85, 95 (2015).
  37. R. Tonks, Y. Zhang, A. Butterfield and X. M. Bai, Development of a grain boundary pinning model that considers particle size distribution using the phase field method, Modelling Simul. Mater. Sci. Eng. 23, 045009, (2015).
  38. Z. Xu, Y. Zhang, G. M. Cheng, W. W. Jian, P. C. Millett, C. C. Koch, S. N. Mathaudhu and Y. T. Zhu, Dynamic Void Growth and Shrinkage in Mg under Electron Irradiation, Mater. Res. Letts. 2, 176 (2014)
  39. Zhang*, P. C. Millett, M. R. Tonks, X. M. Bai, S. B. Biner, Molecular dynamics simulations of intergranular fracture in UO2 with nine empirical interatomic potentials, J. Nucl. Mater. 452, 296 (2014).
  40. Zhang*, L. G. Zhou and H. C. Huang, Size dependence of twin formation energy of metallic, Inter. J. Smart and Nano Mater. 4, 112 (2013).
  41. R. Tonks, Y. Zhang, X. M. Bai and P. C. Millett, Demonstrating the Temperature Gradient Impact on Grain Growth in UO2 Using the Phase Field Method, Mater. Res. Letts. 2, 23 (2014).
  42. M. Cheng, W. Xu, W. W. Jian, H. Yuan, M. Tsai, Y. T. Zhu, Y. Zhang and P. C. Millett, Dislocation with edge component in nanocrystalline body-centered-cubic Mo, J. Mater. Research 28, 1820 (2013).
  43. R. Tonks, Y. Zhang, S. B. Biner, P. C. Millett and X. M. Bai, Guidance to Design Grain Boundary Mobility Experiments with Quantitative Phase-Field Modeling, Acta Mater. 61, 1373 (2013).
  44. C. Millett, M. R. Tonks, K. Chockalingam, Y. Zhang and S. B. Biner, Three Dimensional Calculations of the Effective Kapitza Resistance of UO2 Grain Boundaries Containing Intergranular Bubbles, J. Nucl. Mater. 439, 117 (2013).
  45. C. Millett, Y. Zhang, M. Tonks and S. B. Biner, Consideration of Grain Size Distribution in the Diffusion of Fission Gas to Grain Boundaries, J. Nucl. Mater. 440, 435 (2013).
  46. Z. Xu, Y. Zhang, G. M. Cheng. W. W. Jian, P. C. Millett, C. C. Koch, S. N. Mathaudhu and Y. T. Zhu, In-situ atomic-scale observation of irradiation-induced void formation, Nature Communications 4, 2288 (2013).
  47. M. Bai, Y. Zhang and M. R. Tonks, Strain effects on oxygen transport in tetragonal zirconium dioxide, Phys. Chem. Chem. Phys. 15, 19438 (2013).
  48. Zhang*, P. C. Millett, M. Tonks and B. Biner, Deformation-twin-induced grain boundary failure, Scripta Mater. 66, 117 (2012).
  49. Zhang*, H. C. Huang, P. C. Millett, M. Tonks, D. Wolf and S. Phillpot, Atomistic study of grain boundary sink strength under prolonged electron irradiations, J. Nucl. Mater. 422, 69 (2012).
  50. Zhang*, X. Y. Liu, P. C. Millett, M. Tonks, D. A. Andersson and B. Biner, Crack tip plasticity in single crystal UO2: Atomistic simulations, J. Nucl. Mater. 430, 96 (2012).
  51. Zhang*, P. C. Millett, M. Tonks, L. Zhang and B. Biner, Molecular dynamics simulations of He bubble nucleation at grain boundaries, J. Phys.: Condens. Matter 24, 305005 (2012).
  52. Zhang*, P. C. Millett, M. Tonks and B. Biner, Deformation-twin in nanocrystalline BCC Mo as predicted by molecular dynamics simulations, Acta Mater. 60, 6241 (2012).
  53. Zhang and H. C. Huang, Design of twin structure in SiC nanowires, J. Comp. Theoretical Nanoscience 9, 1(2012).
  54. C. Millett, M. Tonks, S. Biner, L. Zhang, K. Chockalingam, Y. Zhang, Phase-field simulation of intergranular bubble growth and percolation in bicrystals. J. Nucl. Mater. 425, 130 (2012).
  55. Zhang, M. Tonks, P. C. Millett, Y. Zhang, K. Chockalingam, and B. Biner, Phase-Field modeling of low thermal conductivity pores in nuclear fuels due to Soret effect, Comp. Mater. Sci. 56, 161 (2012).
  56. C. Millett, Y. Zhang, D. A. Andersson, Michael Tonks, S. Biner, Random-Walk Monte Carlo Simulation of Intergranular Gas Bubble Nucleation in UO2 Fuel. J. Nucl. Mater. 430, 44 (2012).
  57. Zhang*, P. C. Millett and M. Tonks, Energetics and diffusional properties of He in BCC Mo: An empirical potential for molecular dynamics simulations, Comp. Mater. Sci. 50, 3224 (2011).
  58. Zhang and H. C. Huang, Controllable introduction of twin boundaries into nanowires. J. Appl. Phys. 108, 1 (2010).
  59. Zhang and H. C. Huang, Do twin boundaries always strengthen metal nanowires? Nanoscale Research Lett. 4, 34 (2009).
  60. Zhang and H. C. Huang, Twin Cu nanowires using energetic beams. Appl. Phys. Lett. 95, 111914 (2009).
  61. Zhang and H. C. Huang, Stability of single-wall silicon carbide nanotubes – molecular dynamics simulations. Comp. Mater. Sci. 29, 664 (2008).
  62. Zhang and H. C. Huang, Size dependence of twin formation energy in cubic SiC at the nanoscale. Appl. Phys. Lett. 92, 261908 (2008).
  63. W. Shim, Y. Zhang and H. C. Huang, Twin formation during SiC nanowire synthesis. J. Appl. Phys. 104, 063511 (2008).
  64. Zhang, H. C. Huang and S. N. Atluri, Strength asymmetry of twinned copper nanowires under tension and compression. CMES 35, 215 (2008).

Conference Proceedings

  1. J. Yu, C. Jiang and Y. Zhang, Influence of alloying elements and effect of stress on anisotropic hydrogen diffusion in Zr-based alloys predicted by accelerated kinetic Monte Carlo simulations, Proceedings of Environmental Degradation 2017. Portland, USA, (2017).
  2. J. Yu, Y. Zhang, and J. Hales. Development of molecular dynamics potential for uranium silicide fuels, Proceedings of Top Fuel 2016. Boise, USA, (2016).
  3. Y. Zhang*, P. C. Millett, M. R. Tonks, X. M. Bai and S. B. Biner, Intergranular fracture in UO2: derivation of traction-separation law from atomistic simulations, ANS Global 2013 Meeting, Salt Lake City UT, OCT 2013