Publications

 

Published:

  1. Y. Zhang, G. M. Stocks, K. Jin, C. Lu, H. Bei, B. C. Sales, L. Wang, L. K. Béland, R. E. Stoller, G. D. Samolyuk, M. Caro, A. Caro, and W. J. Weber, “Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys,” Nat. Commun. 6, 8736 (2015).
  2. L. Dezerald, J. J. Kohanoff, A. A. Correa, A. Caro, R. J.-M. Pellenq, F. J. Ulm, and A. Saúl, “Cement as a waste form for nuclear fission products: The case of 90Sr and its daughters,” Environ. Sci. Technol. 49 (22), 13676–13683 (2015).
  3. K. Jin, H. Bei, and Y. Zhang, “Ion irradiation induced defect evolution in Ni and Ni-based FCC equiatomic binary alloys,” J. Nucl. Mater. 471, 193-199 (2016).
  4. R. J. Olsen, K. Jin, C. Lu, L. K. Beland, L. Wang, H. Bei, E. D. Specht, and B. C. Larson, “Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy,” J. Nucl. Mater. 469, 153-161 (2016).
  5. M. Caro, L, K. Béland, G. D. Samolyuk, R. E. Stoller, and J. A. Caro, "Lattice thermal conductivity of multi-component alloys," J. Alloy Compd. 648, 408-413 (2015).
  6. D. S. Aidhy, C. Lu, K. Jin, H. Bei, Y. Zhang, L. Wang, and W. J. Weber, "Point defect evolution in pure Ni, NiFe and NiCr alloys from atomistic simulations and irradiation experiments," Acta Mater. 99, 69-76 (2015).
  7. K. Jin, B. C. Sales, G. M. Stocks, G. D. Samolyuk, M. Daene, W. J. Weber, Y. Zhang, and H. Bei, “Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity,” Sci. Rep. 6, 20159 (2016).
  8. D. S. Aidhy, C. Lu, K. Jin, H. Bei, Y. Zhang, L. Wang, and W. J. Weber, "Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism," Scr. Mater. 114, 137-141 (2016).
  9. B. Liu, F. Yuan, K. Jin, Y. Zhang, and W. J. Weber, "Ab initio molecular dynamics investigations of low-energy recoil events in Ni and NiCo," J. Phys.: Condens. Matter 27 (43), 435006 (2015).
  10. A. Tamm, A. Aabloo, M. Klintenberg, G. M. Stocks, and A. Caro, "Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys," Acta Mater. 99, 307-312 (2015).
  11. M. W. Ullah, D. S. Aidhy, Y. Zhang, and W. J. Weber, “Damage accumulation in ion-irradiated Ni-based concentrated solid-solution alloys,” Acta Mater. 109, 17-22 (2016).
  12. K. Jin, C. Lu, L. Wang, J. Qu, W. J. Weber, Y. Zhang, and H. Bei, “Effects of compositional complexity on the ion-irradiation induced swelling and hardening in Ni-containing equiatomic alloys,” Scr. Mater. 119, 65-70 (2016).
  13. L. K. Béland, G. D. Samolyuk, and R. E. Stoller, "Differences in the accumulation of ion-beam damage in Ni and NiFe explained by atomistic simulations," J. Alloy Compnd. 662, 415-420 (2016).
  14. B. C. Sales, K. Jin, H. Bei, G. M. Stocks, G. D. Samolyuk, A. F. May, and M. A. McGuire, “Quantum critical behavior in a concentrated ternary solid solution,” Sci. Rep. 6, 26179 (2016).
  15. A. Caro, A. A. Correa, G. D. Samolyuk, and G. M. Stocks, "Adequacy of damped dynamics to represent the electron-phonon interaction in solids," Phys. Rev. B 92, 144309 (2015).
  16. L. K. Béland, Y. N. Osetsky, and R. E. Stoller, “Atomistic material behavior at extreme pressures,” npj Computational Materials 2, 16007 (2016).
  17. L. K. Beland, C. Lu, Y. N. Osetsky, G. D. Samolyuk, A. Caro, L. Wang, and R. E. Stoller, “Features of primary damage by high energy displacement cascades in concentrated Ni-based alloys," J. Appl. Phys. 119, 085901 (2016).
  18. Y. N. Osetsky, L. K. Béland, and R. E. Stoller, “Specific features of defect and mass transport in concentrated fcc alloys,” Acta Mater. 115, 364–371 (2016).
  19. R. E. Stoller, A. Tamm, L. K. Beland, G. D. Samolyuk, G. M. Stocks, A. Caro, L. V. Slipchenko, Y. N. Osetskiy, A. Aabloo, M. Klintenberg, and Y. Wang, “The impact of short-range forces on defect production from high-energy collisions,” J. Chem. Theory Comput. 12, 2871-9 (2016).
  20. C. Lu, K. Jin, L. K. Béland, F. Zhang, T. Yang, L. Qiao, Y. Zhang, H. Bei, H. M. Christen, R. E. Stoller, and L. Wang, “Direct observation of defect range and evolution in ion-irradiated single crystalline Ni and Ni binary alloys,” Sci. Rep. 6, 19994 (2016).
  21. F. Granberg, K. Nordlund, M. W. Ullah, K. Jin, C. Lu, H. Bei, L. Wang, F. Djurabekova, W. J. Weber, and Y. Zhang, “Mechanism of radiation damage reduction in equiatomic multicomponent single phase alloys,” Phys. Rev. Lett. 116, 135504 (2016).
  22. G. D. Samolyuk, L. K. Beland, G. M. Stocks, and R. E. Stoller, “Electron-phonon coupling in Ni-based binary alloys with application to displacement cascade modeling,” J. Phys.: Condens. Matter. 28, 175501 (2016).
  23. K. Jin, W. Guo, C. Lu, M. W. Ullah, Y. Zhang, W. J. Weber, L. Wang, J. D. Poplawsky, and H. Bei, "Effects of Fe concentration on the ion-irradiation induced defect evolution and hardening in Ni-Fe solid solution alloys," Acta Mater. 121, 365-373 (2016).
  24. E. Zarkadoula, G. Samolyuk, H. Xue, H. Bei, and W. J. Weber, “Effects of two-temperature model on cascade evolution in Ni and NiFe”, Scr. Mater. 124, 6–10 (2016).
  25. Y. Zhang, K. Jin, H. Xue, C. Lu, R. J. Olsen, L. K. Beland, M. W. Ullah, S. Zhao, H. Bei, D. S. Aidhy, G. D. Samolyuk, L. Wang, M. Caro, A. Caro, G. M. Stocks, B. C. Larson, I. M. Robertson, A. Correa, and W. J. Weber, “Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys,” J. Mater. Res. 31, 2363-2375 (2016).
  26. M-R He, S. Wang, K. Jin, H. Bei, K. Yasuda, S. Matsumura, K. Higashida, and I. M. Robertson, “Enhanced damage resistance and novel defect structure of CrFeCoNi under in situ electron irradiation,” Scr. Mater. 125, 5-9 (2016).
  27. L. K. Béland, Y. N. Osetsky, and R. E. Stoller, “The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades,” Acta Mater. 116, 136-142 (2016).
  28. S. Zhao, G. Velisa, H. Xue, H. Bei, W. J. Weber, and Y. Zhang, “Suppression of vacancy cluster growth in concentrated solid solution alloys,” Acta Mater. 125, 231-237 (2017)
  29. S. Zhao, G. M. Stocks, and Y. Zhang, "Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2," Phys.Chem.Chem.Phys. 18, 24043 (2016).
  30. F. X. Zhang, K. Jin, S. Zhao, S. Mu, H. Bei, J. Liu, H. Xue, D. Popov, C. Park, G. M. Stocks, W. J. Weber, and Y. Zhang, “X-ray absorption investigation of local structural disorder in Ni1-xFex (x=0.10, 0.20, 0.35 and 0.5) alloys,” J. Appl. Phys. 121, 165105 (2017).
  31. A. Tamm, G. Samolyuk, A. A. Correa, M. Klintenberg A. Aabloo, and A. Caro, “Electron-phonon interaction within classical molecular dynamics,” Phys. Rev.B 94, 024305 (2016).
  32. Y. Zhang, S. Zhao, W. J. Weber, K. Nordlund, F. Granberg, and F. Djurabekova, “Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys,” Curr. Opin. Solid State Mater. Sci. 21, 221-237 (2017).
  33. S. Zhao, Y. Osetskiy, and Y. Zhang, “Preferential diffusion in concentrated solid solution alloys: NiFe, NiCo and NiCoCr,” Acta Mater. 128, 391-399 (2017).
  34. M-R He, S. Wang, S. Shi, K. Jin, H. Bei, K. Yasuda, S, Matsumura, K. Higashida, and I. M. Robertson, “Mechanisms of radiation-induced segregation in CrFeCoNi-based single-phase concentrated solid solution alloys,” Acta Mater. 126, 182-193 (2017).
  35. K. Jin, S. Mu, K. An, W. D. Porter, G. D. Samolyuk, G. M. Stocks, and H. Bei, “Thermophysical properties of Ni-containing single-phase concentrated solid solution alloys,” Mater. Des. 117, 185–192 (2017).
  36. Z. Wu, C. Troparevsky, Y. Gao, J. Morris, G. M. Stocks, and H. Bei, “Phase stability, physical properties and strengthening mechanisms of concentrated solid solution alloys,” Curr. Opin. Solid State Mater. Sci. 21, 267-284 (2017).
  37. F. X. Zhang, S. Zhao, K. Jin, H. Bei, D. Popov, C. Park, J. C. Neuefeind, W. J. Weber, and Y. Zhang, “Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys,” Appl. Phys. Lett. 110, 011902 (2017).
  38. B. Sales, K. Jin, H. Bei, J. Nichols, M. Chisholm, A. May, N. Butch, A. Christianson, and M. McGuire, “Quantum critical behavior in the asymptotic limit of high disorder in the medium entropy alloy NiCoCr0.8,” npj Quantum Materials 2, 33 (2017).
  39. E. Zarkadoula, G. Samolyuk, and W. J. Weber, “Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys,” J. Alloys Compd. 700, 106-112, (2017).
  40. S. Zhang, K. Nordlund, F. Djurabekova, Y. Zhang, G. Velisa, and T. S. Wang, "Simulation of Rutherford backscattering spectrometry from arbitrary atom structures," Phys. Rev. E 94, 043319 (2016).
  41. C. Lu, L. Niu, N. Chen, K. Jin, T. Yang, P. Xiu, Y. Zhang, F. Gao, H. Bei, S. Shi, M-R He, I. M. Robertson, W. J. Weber, and L. Wang, “Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single phase alloys,” Nat. Commun. 7, 13564 (2016).
  42. S. Shi, H. Bei, and I. M. Robertson, “Impact of alloy composition on one-dimensional glide of small dislocation loops in concentrated solid solution alloys,” Mater. Sci. Eng. A, 700, 617-621 (2017).
  43. N. Anento, A. Serra, and Y. Osetsky, “Effect of nickel on point defects diffusion in Fe – Ni alloys,” Acta Mater. 132, 367-373 (2017).
  44. G. Velisa, M. Ullah, H. Xue, K. Jin, M. L. Crespillo, H. Bei, W. J. Weber, and Y. Zhang, "Irradiation-induced damage evolution in concentrated Ni-based alloys," Acta Mater. 135, 54-60 (2017).
  45. S. Zhao, Y. Osetsky, and Y. Zhang, “Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys,” J. Alloys Compd. 701, 1003-1008 (2017).
  46. C. Lu, T. Yang, K. Jin, N. Gao, P. Xiu, Y. Zhang, F. Gao, H. Bei, Y. Dong, and L. Wang, "Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys,” Acta Mater. 127, 98-107 (2017).
  47. K. Jin, Y. Gao, and H. Bei, “Intrinsic properties and strengthening mechanism of monocrystalline Ni-containing ternary concentrated solid solutions,” Mat. Sci. Eng. A 695, 74-79 (2017).
  48. F. X. Zhang, S. Zhao, K. Jin, H. Xue, G. Velisa, H. Bei, R. Huang, J. Y. P. Ko, D. C. Pagan, J. C. Neuefeind, W. J. Weber, and Y. Zhang, “Local structure and short-range order in a NiCoCr solid solution alloy,” Phys. Rev. Lett. 118, 205501 (2017).
  49. M. Ullah, Y. Zhang, N. Sellami, A. Debelle, H. Bei, and W. J. Weber, “Evolution of irradiation-induced strain in an equiatomic NiFe alloy,” Scr. Mater. 140, 35-39 (2017).
  50. S. Zhao, W. J. Weber, and Y. Zhang, “Unique challenges for modeling defect dynamics in concentrated solid-solution alloys,” JOM 69, 2084-2091 (2017).
  51. E. Zarkadoula, G. Samolyuk, and W. J. Weber, “Effects of the electron-phonon coupling activation in collisions cascades,” J. Nucl. Mater. 490, 317-322 (2017).
  52. C. Zhang, F. Zhang, K. Jin, H. Bei, S. Chen, W. Chao, J. Zhu, and D. Lv, “Understanding of the elemental diffusion behavior in concentrated solid solution alloys,” J. Phase Equilib. Diffus. 38, 434-444 (2017).
  53. T. Yang, C. Lu, K. Jin, M. Crespillo, Y. Zhang, H. Bei and L. Wang, “The effect of injected interstitials on voids formation in self-ion irradiated nickel containing concentrated solid solution alloys,” J. Nucl. Mater. 488, 328-337 (2017).
  54. E. Zarkadoula, G. Samolyuk, and W. J. Weber, “Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems,” Scr. Mater. 138, 124-129 (2017).
  55. D. Chakraborty and D. S. Aidhy, “Cr-induced fast vacancy cluster formation and high Ni diffusion in concentrated Ni-Fe-Cr alloys,” J. Alloys Compd. 725, 449-460 (2017).
  56. S. Zhao, G. M. Stocks, and Y. Zhang, “Stacking fault energies of face-centered cubic concentrated solid solution alloys,” Acta Mater. 134, 334-345 (2017).
  57. M. Caro, A. A. Correa, E. Artacho, and A. Caro, “Stopping power beyond the adiabatic approximation,” Sci. Rep. 7, 2618 (2017).
  58. S. Zhang, K. Nordlund, F. Djurabekova, F. Granberg, Y. Zhang and T. S. Wang, “Radiation damage buildup by athermal defect reactions in nickel and concentrated nickel alloys,” Mater. Res. Lett. 5, 433-439 (2017).
  59. L. K. Béland, A. Tamm, S. Mu, G. D. Samolyuk, Y. N. Osetstky, A. Aabloo, M. Klintenberg, A. Caro, and R. E. Stoller, “Accurate classical short-range forces for the study of collision cascades in Fe-Ni-Cr,” Comput. Phys. Commun. 219, 11-19 (2017).
  60. M. W. Ullah, H. Xue, G. Velisa, K. Jin, H. Bei, W. J. Weber, and Y. Zhang, "Effects of chemical alternation on damage accumulation in concentrated solid-solution alloys,” Sci. Rep. 7, 4146 (2017)
  61. S. Zhao, Y. Zhang, and W. J. Weber, “Stability of vacancy-type defect clusters in Ni based on first-principles and molecular dynamics simulations,” Scr. Mater. 145, 71-75 (2018).
  62. G. Velişa, E. Wendler, S. Zhao, K. Jin, H. Bei, W.J. Weber, and Y. Zhang, “Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys,” Mater. Res. Lett. 6, 136-141 (2018).
  63. S. Zhao, T. Egami, G. M. Stocks, and Y. Zhang, “Effect of d electrons on defect properties in NiCoCr and NiCoFeCr concentrated solid solution alloys,” Phys. Rev. Materials 2, 013602 (2018).
  64. S. Shi, M.-R. He, K. Jin, H. Bei and I. Robertson, “Evolution of ion damage at 773K in Ni- containing concentrated solid-solution alloys,” J. Nucl. Mater. 501, 132-142 (2018).
  65. E. Zarkadoula, G. Samolyuk, and W. J. Weber, “Effects of electronic excitation in 150 keV Ni ion irradiation of metallic systems,” AIP Advances 8, 015121 (2018).
  66. D. Chakraborty, A. Harms, M. W. Ullah, W. J. Weber, and D. S. Aidhy, “Effect of atomic order/disorder on vacancy clustering in concentrated NiFe alloys,” Comput. Mater. Sci 147, 194-203 (2018).
  67. K. Jin, C. Zhang, F. Zhang, and H. Bei, "Influence of compositional complexity on interdiffusion in Ni-containing concentrated solid solution Alloys," Mater. Res. Lett. 6:5, 293-299 (2018)
  68. A. A. Leino, G. Samoluyk, R. Sachan, F. Granberg, W. J. Weber, H. Bei, J. Lie, P. Zhai, and Y. Zhang, “GeV ion irradiation of NiFe and NiCo: insights from MD simulations and experiments,” Acta Mater. (2018).
  69. T. Yang, C. Lu, G. Velisa, K. Jin, P. Xiu, M. Crespillo, Y. Zhang, H. Bei, L. Wang, “Effect of alloying elements on defect evolution in Ni-20X binary alloys” Acta Mater. (2018) Both Thrusts