Curriculum Vitae – Wei Cai                                       (last updated: 09/17/2019)


Department of Mechanical Engineering

Stanford University                                                       Phone:                          650-736-1671

Building 520, Room 126                                                Fax:                             650-725-1587

452 Escondido Mall                                                      E-mail:     

Stanford, CA 94305-4040                                              URL:




Massachusetts Institute of Technology, Ph.D. in Nuclear Engineering, 2001

Huazhong University of Science and Technology, PRC, B.S. in Optoelectronics, 1995





Professor, Department of Mechanical Engineering, Stanford University, September 2019 –


Associate Professor, Department of Mechanical Engineering, Stanford University, September 2011 – August 2019.


Assistant Professor, Department of Mechanical Engineering, Stanford University, July 2004 – August 2011.


Lawrence Postdoctoral Fellow, Directorate of Chemistry and Materials Science, Lawrence Livermore National Laboratory, June 2001 – June 2004.


Research Assistant, Department of Nuclear Engineering, Massachusetts Institute of Technology, September 1996 – June 2001.





Predicting mechanical strength of materials through theory and simulations of defect microstructures across atomic, mesoscopic and continuum scales. Developing new atomistic simulation methods for long time-scale processes, such as crystal growth and self-assembly. Introducing magnetic field in quantum simulations of electronic structure and transport.





Award of Scientific Achievement in the field of Dislocation Theory and Plasticity, Dislocations 2016 Conference

ASME Applied Mechanics Division Hughes Young Investigator Award 2013

ASEE Beer and Johnston Outstanding New Mechanics Educator Award 2009

AFOSR Young Investigator Program (YIP) Award 2006

NSF Career Award 2006

Presidential Early Career Award for Scientists and Engineers (PECASE) 2004

Lawrence Fellowship, Lawrence Livermore National Laboratory, 2001-2004

Graduate Student Award (Silver), Materials Research Society, Fall 2000

Manson Benedict Fellowship, Department of Nuclear Engineering, MIT, 1999




Chair of the Multiscale Materials Modelling (MMM) 2014 International Conference. Berkeley Marina, San Francisco Bay, Oct 6-10, 2014.


Editorial board - Modelling and Simulation in Materials Science and Engineering (MSMSE), Acta Mechanica Sinica, and International Journal on Applied Mechanics


Co-organizer of the Dislocations 2008 International Conference in Hong Kong.


Member - American Nuclear Society, American Physical Society, Materials Research Society, Alpha Nu Sigma Honor Society of American Nuclear Society, Sigma Xi Scientific Research Society





JOURNAL PUBLICATIONS                               


112.  Y. Wang, X. Zhang and W. Cai, "Spherical Harmonics Method for Computing the Image Stress Due to A Spherical Void", Journal of the Mechanics and Physics of Solids, 126, 151 (2019).


111.  A. C. Meng, M. R. Braun, Y. Wang, C. S. Fenrich, M. Xue, D. R. Diercks, B. P. Gorman, M.-I. Richard, A. F. Marshall, W. Cai, J. S. Harris, P. C. McIntyre, "Coupling of Coherent Misfit Strain and Composition in Core-shell Ge/Ge1-xSnx Nanowire Light Emitters", Materials Today Nano, 5, 100026 (2019).


110.  M. Kiani, Y. Wang, N. Bertin, W. Cai and X. W. Gu, "Strengthening Mechanism of a Single Precipitate in a Metallic Nanocube", Nano Letters, 19, 255 (2019).


109.   Y. Wang, P. Woytowitz, D. Mui and W. Cai, "Predicting Stability of Nano-Fin Arrays Against Collapse by Phase Field Modeling", Journal of Vacuum Science & Technology B, 36, 051602 (2018).


108.   D. M. Barnett and W. Cai, "Properties of the Eshelby Tensor and Existence of the Equivalent Ellipsoidal Inclusion Solution", Journal of the Mechanics and Physics of Solids, 121, 71 (2018).

107.   R. B. Sills, N. Bertin, A. Aghaei, and W. Cai, "Dislocation networks and the microstructural origin of strain hardening", Physical Review Letters, 121, 085501 (2018).


106.   N. Bertin and W. Cai, "Energy of periodic discrete dislocation networks", Journal of the Mechanics and Physics of Solids, 121, 133 (2018).


105.   Sh. Akhondzadeh, R. B. Sills, S. Papanicolaou, E. Van der Giessen and W. Cai, "Geometrically projected discrete dislocation dynamics", Model. Simul. Mater. Sci. Eng., 26, 065011 (2018).


104.  X. Zhang, Y. Wang and W. Cai, "Anisotropy effect on strain-induced instability during growth of heteroepitaxial films", Journal of Materials Science, 53, 5777 (2018).


103.  N. Bertin, V. Glavas, D. Datta and W. Cai, "A spectral approach for discrete dislocation dynamics simulations of nanoindentation", Model. Simul. Mater. Sci. Eng., 26, 055004 (2018).


102.  J. Wang, Y. Wang, W. Cai, J. Li, Z. Zhang, S. X. Mao, "Discrete shear band plasticity through dislocation activities in body-centered cubic tungsten nanowires", Scientific Reports, 8, 4574 (2018).


101.  R. B. Sills and W. Cai, "Free Energy Change of a Dislocation Due to a Cottrell Atmosphere", Philosophical Magazine, 98, 1491 (2018).


100.  L. Jin, A. Chortos, F. Lian, E. Pop, C. Linder, Z. Bao, and W. Cai, "Microstructural origin of resistance-strain hysteresis in carbon nanotube thin film conductors", Proc. Natl. Acad. Sci. USA, 115, 1986 (2018).


99.  N. Bertin and W. Cai, "Computation of virtual X-ray diffraction patterns from discrete dislocation structures", Computational Materials Science, 146, 268 (2018).


98.  Y. Wang, A. Santana, and W. Cai, "Atomistic mechanisms of orientation and temperature dependence in gold-catalyzed silicon growth", Journal of Applied Physics, 122, 085106 (2017).


97.  R. Ramachandramoorthy, Y. Wang, A. Aghaei, G. Richter, W. Cai, and H. D. Espinosa, "Reliability of Single Crystal Silver Nanowire-Based Systems: Stress Assisted Instabilities", ACS Nano, 11, 4768 (2017).


96.  Y. Wang, P. C. McIntyre, and W. Cai, "Phase Field Model for Morphological Transition in Nanowire Vapor-Liquid-Solid Growth", Crystal Growth and Design, 17, 2211 (2017).


95.  J. Xu, S. Wang, G.-J. N. Wang, C. Zhu, S. Luo, L. Jin, Y. Wang, C. Linder, W. Cai, , J. B.-H. Tok, J. W. Chung, Z. Bao, et al. "Highly Stretchable Polymer Semiconductor Films through Nanoconfinement Effect", Science, 355, 59 (2017).


94.  Y. Wang, A. Santana, and  W. Cai, "Au-Ge MEAM Potential Fitted to the Binary Phase Diagram", Model. Simul. Mater. Sci. Eng., 25, 025004 (2017).


93.  Y. Gai, C. M. Leong, W. Cai, and S. K. Y. Tang, "Spatiotemporal periodicity of dislocation dynamics in a two-dimensional microfluidic crystal flowing in a tapered channel", Proc. Natl. Acad. Sci. USA, 113, 12082 (2016).


92.  S. Ryu and W. Cai, "Stability of Eshelby Dislocations in FCC Crystalline Nanowires", International Journal of Plasticity, 86, 26 (2016).


91.  E. J. L. Borda, W. Cai, and M. de Koning, "Dislocation structure and mobility in hcp 4He", Physical Review Letters, 117, 045301 (2016).


90.  R. B. Sills, A. Aghaei, and W. Cai, "Advanced Time Integration Algorithms for Dislocation Dynamics Simulations of Work Hardening", Model. Simul. Mater. Sci. Eng., 24, 045019 (2016). IOP featured article


89.  Y. Li, Y. Wang, S. Ryu, A. F. Marshall, W. Cai and P. C. McIntyre, "Spontaneous, defect-free kinking via capillary instability during vapor-liquid-solid nanowire growth", Nano Letters, 16, 1713 (2016).


88.   R. B. Sills and W. Cai, "Solute Drag on Perfect and Extended Dislocations", Philosophical Magazine, 96, 895 (2016).


87.   K. R. Cho, Y.-Y. Kim, P. Yang, W. Cai, H. Pan, A. N. Kulak, J. L. Lau, P. Kulshreshtha, S. P. Armes, F. C. Meldrum, and J. J. De Yoreo, "Direct observation of mineral-organic composite formation reveals occlusion mechanism", Nature Communications, 7, 10187 (2016).


86.   I. Ryu, W. Cai, W. D. Nix and H. Gao, "Anisotropic Size-Dependent Plasticity in Face-Centered Cubic Micropillars Under Torsion", JOM, 68, 253 (2016).


85.   Y. Sun, R. B. Sills, X. Hu, Z. W. Seh, X. Xiao, H. Xu, W. Luo, H. Jin, Y. Xin, T. Li, Z. Zhang, J. Zhou, W. Cai, Y. Huang and Y. Cui, "A Bamboo-Inspired Nanostrucure Design for Flexible, Foldable, and Twistable Energy Storage Devices", Nano Letters, 15, 3899 (2015).


84.   I. Ryu, W. Cai, W. D. Nix and H. Gao, "Stochastic behaviors in plastic deformation of face-centered cubic micropillars governed by surface nucleation and truncated source operation", Acta Materialia, 95, 176 (2015).


83.   H. Wang, Y. Wang, B. T. C. Keong, K.-P. Kim, J. Lopez, W. Cai, and Z. Bao, "Shape-Controlled, Self-Wrapped Carbon Nanotube Three-Dimensional Electronics", Advanced Science, 2, 1500103 (2015).


82.   R. A. Bernal, A. Aghaei, S. Lee, S. Ryu, K. Sohn, J. Huang, W. Cai, and H. Espinosa, "Intrinsic Bauschinger Effect and Recoverable Plasticity in Pentatwinned Silver Nanowires Tested in Tension", Nano Letters, 15, 139 (2015).


81. E. J. L. Borda, W. Cai and M. de Koning, “Ideal Shear Strength of a Quantum Crystal”, Phys. Rev. Lett. 112, 155303 (2014).  Paper selected as PRL Editor’s Suggestion.


80. Y. Wang, S. Ryu and W. Cai, "A three-dimensional phase field model for vapor-liquid-solid growth of semiconductor nanowires", Model. Simul. Mat. Sci. Eng. 22, 055005 (2014).


79. W. Cai, Ryan B. Sills, D. M. Barnett, and W. D. Nix, "Modeling a Distribution of Point Defects as Misfitting Inclusions in Stressed Solids", Journal of the Mechanics and Physics of Solids, 66, 154 (2014).


78. R. B. Sills and W. Cai, “Efficient Time Integrators for Dislocation Dynamics Simulations”, Model. Simul. Mat. Sci. Eng. 24, 025003 (2014).


77. K. Kang, J. Yin and W. Cai, “Stress Dependence of Cross Slip Energy Barrier for Face-Centered Cubic Metals”, Journal of the Mechanics and Physics of Solids, 62, 181 (2014).


76. Y. Won, Y. Gao, M. A. Panzer, R. Xiang, S. Maruyama, T. W. Kenny, W. Cai and K. E. Goodson, “Zipping, Entanglement, and the Modulus of Aligned Single-Walled Carbon Nanotube Films”, Proc. Natl. Acad. Sci. USA, 110, 20426 (2013).


75. W. P. Kuykendall and W. Cai, "Conditional Convergence in 2-Dimensional Dislocation Dynamics", Model. Simul. Mater. Sci. Eng. 21, 055003 (2013).


74. H. B. Lee, F. B. Fritz, and W. Cai, "Atomistic Simulations of Dopant Segregation at the Grain Boundaries of YSZ and GDC", Acta Materialia, 61, 3872 (2013).


73. I. Ryu, W. D. Nix and W. Cai, “Modelling plasticity of BCC micro-pillar using dislocation dynamics”, Acta Materialia, 61, 3233 (2013).


72. K. Kang, Vasily V. Bulatov and W. Cai, "Singular orientations and faceted motion of dislocations in body-centered cubic crystals", Proc. Natl. Acad. Sci. USA, 109, 15174 (2012).


71. E. Lee, F. B. Prinz and W. Cai, "Ab-initio Kinetic Monte Carlo Model of Ionic Conduction in Bulk Yttria-stablized Zirconia", Model. Simul. Mater. Sci. Eng. 20, 065006 (2012).


70. T. Filleter, S. Ryu, K. Kang, J. Yin, R.A. Bernal, K. Sohn, S. Li, J. Huang, W. Cai, and H. D. Espinosa, "Nucleation-Controlled Distributed Plasticity in Penta-Twinned Silver Nanowires", Small, 8, 2987 (2012).


69. S. P. Fitzgerald, S. Aubry, S. L. Dudarev and W. Cai, Dislocation Dynamics Simulation of Frank-Read Sources in Anisotropic α-Fe, Model. Sim. Mater. Sci. Eng., 20, 045022 (2012).


68. J. Yin, D. M. Barnett, S. P. Fitzgerald and W. Cai, Computing dislocation stress fields in anisotropic elastic media using fast multipole expansions, Model. Sim. Mater. Sci. Eng., 20, 045015 (2012).


67. W. D. Cash and W. Cai, Contribution of dislocation dipole structures to the acoustic nonlinearity, Journal of Applied Physics, 111, 074906 (2012).


66. C. R. Weinberger and W. Cai, Plasticity of Metal Nanowires, Journal of Materials Chemistry, 22, 3277 (2012). Invited review article.


65. W. P. Kuykendall, W. D. Cash, D. M. Barnett and W. Cai, Existence of the Equivalent Inclusion for Eshelby's Inhomogeneity Problem, Mathematics and Mechanics of Solids, published online on Feb 22, 2012. DOI: 10.1177/1081286511433082

64. A. T. Lim, M. Haataja, W. Cai and D. J. Srolovitz,
Stress-driven Migration of Simple Low-Angle Mixed Grain Boundaries, Acta Materialia, 60, 1395 (2012).

63. S. Ryu and W. Cai, Predicting the Dislocation Nucleation Rate as a Function of Temperature and Stress, Journal of Materials Research, 26, 2335 (2011). Invited feature article.

62. S. Aubry, S. P. Fitzgerald, S. L. Dudarev and W. Cai, Equilibrium Shape of Dislocation Shear Loops in Anisotropic
a-Fe, Model. Sim. Mater. Sci. Eng, 19, 065006  (2011).

61. S. Ryu and W. Cai, Molecular Dynamics Simulations of Gold-Catalyzed Growth of Silicon Bulk Crystals and Nanowires, Journal of Materials Research, in press (2011). Invited focus issue.

60. S. Aubry, S. Ryu, K. Kang and W. Cai, Energy Barrier for Homogeneous Dislocation Nucleation: Comparing Atomistic and Continuum Models, Scripta Materialia, 64, 1043 (2011).

59. S. Ryu, K. Kang and W. Cai, Entropic Effect on the Rate of Dislocation Nucleation, Proceedings of the National Academy of Sciences108, 5174 (2011). Paper selected in the
Research Highlight of Nature Materials, 10, 338 (2011).

58. E. Lee, F. B. Prinz and W. Cai, Enhancing Ionic Conductivity of Yttria-Stabilized Zirconia Single Crystal by Tailoring Dopant Distribution, Physical Review B  (Brief Reports),
83, 052301 (2011).

57. S. Lee, S. Aubry, W. D. Nix and W. Cai, Dislocation Junctions and Jogs in Free Standing Thin Films, Modelling and Simulation in Materials Science and Engineering, 19, 025002 (2011).

56. W. Cash and W. Cai, Dislocation contribution to acoustic nonlinearity: The effect of orientation-dependent line energy, Journal of Applied Physics, 109, 014915 (2011).

55. C. R. Weinberger and W. Cai, The Stability of Lomer-Cottrell Jogs in Nanopillars, Scripta Materialia, 64, 529 (2011).

54. B. D. Almquist, P. Verma, W. Cai and N. A. Melosh, Nanoscale patterning controls inorganic-membrane interface structure, Nanoscale, 3, 391 (2011).

53. H. Kesari, J. C. Doll, B. L. Pruitt, W. Cai and A. J. Lew, Role of Surface Roughness in Hysteresis during Adhesive Elastic Contact, Philosophical Magazine Letters, 90, 891 (2010). One of the three
2010 highly commended papers in Philosophical Magazine / Philosophical Magainze Letters.

52. M. Tonks, P. Millett, W. Cai and D. Wolf, Analysis of the Elastic Strain Energy Driving Force for Grain Boundary Migration using Phase Field Simulation, Scripta Materialia, 63, 1049 (2010).

51. S. Ryu and W. Cai, Numerical Tests of Nucleation Theories for the Ising Models, Physical Review E, 82, 011603 (2010).

50. C. R. Weinberger and W. Cai, Plasticity of metal wires in torsion: molecular dynamics and dislocation dynamics simulations, Journal of Mechanics and Physics of Solids, 58, 1011-1025 (2010).

J. Yin, D. M. Barnett and W. Cai, Efficient Computation of Forces on Dislocation Segments in Anisotropic Elasticity, Model. Sim. Mater. Sci. Eng., 18, 045013 (2010).

48. S. Ryu and W. Cai, The Validity of Classical Nucleation Theory for Ising Models, Physical Review E (Rapid Communications), 81, 030601 (R) (2010).

47. K. Kang and W. Cai, Size and Temperature Effects on Brittle and Ductile Fracture of Silicon Nanowires, International Journal of Plasticity, 26, 1387 (2010).

46. C. R. Weinberger and W. Cai, Orientation dependent plasticity in metal nanowires under torsion: twist boundary formation and Eshelby twist, Nano Letters, 10, 130142 (2010).

45. S. Ryu and W. Cai, A Gold-Silicon Potential Fitted to the Binary Phase Diagram, Journal of Physics Condensed Matter, 22, 055401 (2010). Paper chosen in IOP Select.

44. H. B. Lee, F. B. Prinz, and W. Cai, Atomistic Simulations of Surface Segregation of Defects in Solid Oxide Electrolytes, Acta Materialia, 58, 2197 (2010).

43. E. Lee, F. B. Prinz, and W. Cai,
Kinetic Monte Carlo simulations of oxygen vacancy diffusion in a solid electrolyte: Computing the electrical impedance using the fluctuation-dissipation theorem, Electrochemistry Communications, 12, 223 (2010).

42. S. Ryu, C. R. Weinberger, M. I. Baskes, and W. Cai, Improved Modified Embedded-Atom Method Potentials for Gold and Silicon, Model. Sim. Mater. Sci. Eng., 17, 075008 (2009).

41. C. R. Weinberger, S. Aubry, S.-W. Lee, W. D. Nix and W. Cai, Modelling Dislocations in a Free-Standing Thin Film, Model. Sim. Mater. Sci. Eng., 17, 075007 (2009).

40. H. S. Park, W. Cai, H. D. Espinosa and H. Huang Mechanics of Crystalline Nanowires, MRS Bulletin, 34, 178 (March, 2009).

39. W. Cai and C. R. Weinberger, Energy of a Prismatic Dislocation Loop in an Elastic Cylinder, Mathematics and Mechanics of Solids, 14, 192 (2009).

38. S. Ryu and W. Cai, Comparison of Thermal Properties Predicted by Interatomic Potential Models, Model. Sim. Mater. Sci. Eng. 16, 085005 (2008).  Paper selected as MSMSE featured article.

37. C. R. Weinberger and W. Cai, Surface Controlled Dislocation Multiplication in Metal Micro-pillars, Proceedings of the National Academy of Sciences, 105, 14304 (2008).

36. W. Cai, W. Fong, E. Elsen and C. R. Weinberger, Torsion and Bending Periodic Boundary Conditions for Modelling the Intrinsic Strength of Nanowires, Journal of Mechanics and Physics of Solids, 56, 3242, (2008).


35. S. Ryu, W. Cai and Alfredo Caro, Quantum Entanglement of Formation between Qudits, Phys. Rev. A, 77, 052312 (2008).


34. J. R. Greer, C. R. Weinberger and Wei Cai, Comparing the strength of f.c.c. and b.c.c. sub-micrometer pillars: Compression experiments and dislocation dynamics simulations, Mater. Sci. Eng. A, 493, 21 (2008).


33. K. Kang, W. Cai, Brittle and Ductile Fracture of Semiconductor Nanowires – Molecular Dynamics Simulations, Philosophical Magazine, 87, 2169, (2007).


32. C. R. Weinberger and W. Cai, Computing Image Stress in an Elastic Cylinder, Journal of the Mechanics and Physics of Solids, 55, 2027 (2007).


31. A. Arsenlis, W. Cai, V. V. Bulatov, M. Rhee, M. Tang, T. Oppelstrup, M. Hiratani, G. Hommes, T. G. Pierce, Enabling Strain Hardening Simulations with Dislocation Dynamics, Modelling Simul. Mater. Sci. Eng. 15, 553 (2007).


30. E. Lee, W. Cai, G. Galli, Electronic Structure Calculations in a Uniform Magnetic Field using Tilted Periodic Supercells, Journal of Computational Physics, 226, 1310 (2007).


29. M. Tang, W. Cai, G. Xu, V. V. Bulatov, A hybrid method for computing forces on curved dislocations intersecting free surfaces in three-dimensional dislocation dynamics, Modelling Simul. Mater. Sci. Eng. 14, 1139-1151 (2006).


28. V. V. Bulatov, W. Cai, R. Baran, K. Kang, Geometric aspects of the ideal shear resistance in simple crystal lattices, Philosophical Magazine, 86, 3847-59 (2006).


27. V. V. Bulatov, L. L. Hsiung, M. Tang, A. Arsenlis, M. C. Bartelt, W. Cai, J. N. Florando, M. Hiratani, M. Rhee, G. Hommes, T. G. Pierce, T. Diaz de la Rubia, Dislocation multi-junctions and strain hardening, Nature 440, 1174-1178 (2006).


26. W. Cai, A. Arsenlis, Christopher R. Weinberger, Vasily V. Bulatov, A non-singular continuum theory of dislocations, Journal of the Mechanics and Physics of Solids 53, 561-587 (2006).


25. C. S. Deo, D. J. Srolovitz, W. Cai, V. V. Bulatov, Stochastic simulation of dislocation glide in tantalum and Ta-based alloys, Journal of the Mechanics and Physics of Solids, 53, 1223-47 (2005).


24. C. S. Deo, D. J. Srolovitz, W. Cai, V. V. Bulatov, Kinetic Monte Carlo method for dislocation migration in the presence of solute, Physical Review B, 71, 014106 (2005).


23. M. de Koning, W. Cai, B. Sadigh, M. Kalos, V. V. Bulatov, Adaptive Importance Sampling Monte Carlo Simulation of Rare Transition Events, Journal of Chemical Physics, 122, 074103 (2005).


22. J. Li, C.-Z. Wang, J.-P. Chang, W. Cai, V. V. Bulatov, K.-M. Ho, S. Yip, Core energy and Peierls stress of a screw dislocation in bcc molybdenum: A periodic-cell tight-binding study, Phys. Rev. B, 70 104113 (2004).

21. W. Cai and G. Galli, Ab initio calculations in a uniform magnetic field using periodic supercells, Physical Review Letters, 92, 186402 (2004).


20. J. Marian, W. Cai and Vasily V. Bulatov, Dynamic Transitions in Dislocation Motion: from smooth to rough to twinning, Nature Materials, 3, 158 (2004).


19. Wei Cai and Vasily V. Bulatov, Mobility Laws in Dislocation Dynamics Simulations, Mater. Sci. Eng. A, 387-389, 277 (2004).


18. M. de Koning, W. Cai and V. V. Bulatov, A Mechanism for Anomalous Dislocation Multiplication in FCC Metals, Physical Review Letters, 91, 022503 (2003).


17. W. Cai, V. V. Bulatov, J. Chang, J. Li, and S. Yip, Periodic Image Effects in Dislocation Modeling, Philosophical Magazine A, 83, 539 (2003).


16. M. de Koning, R. J. Kurtz, V. V. Bulatov, C. H. Henager, R. G. Hoagland, W. Cai and M. Nomura, Modeling of dislocation-grain boundary interactions in FCC metals, Journal of Nuclear Materials, 323, 281 (2003).


15. W. Cai, M. H. Kalos, M. de Koning, and V. V. Bulatov, Importance Sampling of Rare Transition Events in Markov Processes, Physical Review E, 66, 046703 (2002).


14. V. V. Bulatov and W. Cai, Nodal effects in dislocation mobility, Physical Review Letters, 89, 115501 (2002).


13. W. Cai, V. V. Bulatov, J. F. Justo, A. S. Argon and S. Yip, Kinetic Monte Carlo Approach to Modeling Dislocation Mobility, Computational Materials Science, 23, 124, (2002).


12. J. Chang, W. Cai, V. V. Bulatov, and S. Yip, Molecular Dynamics Simulations of Motion of Edge and Screw Dislocations in a Metal, Computational Materials Science, 23, 111, (2002).


11. W. Cai, V. V. Bulatov, J. Chang, J. Li, and S. Yip, Anisotropic Elastic Interactions of a Periodic Dislocation Array, Physical Review Letters, 86, 5727 (2001).


10. V. V. Bulatov, J. F. Justo, W. Cai, S. Yip, A. S. Argon, T. Lenosky, M. de Koning and T. D. de la Rubia, Parameter-free Modeling of Dislocation Motion: The Case of Silicon, Philosophical Magazine A, 81, 1257 (2001).


9. W. Cai, V. V. Bulatov, S. Yip and A. S. Argon, Kinetic Monte Carlo Modeling of Dislocation Motion in BCC Metals, Materials Science and Engineering A, 309-310, 270 (2001).


8. J. Chang, W. Cai, V. V. Bulatov and S. Yip, Dislocation Motion in BCC Metals by Molecular Dynamics, Materials Science and Engineering A, 309-310, 160 (2001).


7. J. F. Justo, M. de Koning, W. Cai and V. V. Bulatov, Point defect interaction with dislocations in silicon, Materials Science and Engineering A, 309-310, 129 (2001).


6. W. Cai, M. de Koning, V. V. Bulatov and S. Yip, Minimizing Boundary Reflections in Coupled-Domain Simulations, Physical Review Letters, 85, 3213 (2000).


5. W. Cai, V. V. Bulatov, J. F. Justo, S. Yip and A. S. Argon, Intrinsic Mobility of a Dissociated Dislocation in Silicon, Physical Review Letters, 84, 3346 (2000).


4. J. F. Justo, M. de Koning, W. Cai and V. V. Bulatov, Vacancy Interaction with Dislocation in Silicon: The Shuffle versus Glide Competition, Physical Review Letters, 84, 2172 (2000).


3. M. de Koning, W. Cai, A. Antonelli and S. Yip, Efficient Free-Energy Calculations by the Simulation of Nonequilibrium Processes, Computing in Science and Engineering, 2, 88 (2000).


2. W. Cai, V. V. Bulatov and S. Yip, Kinetic Monte Carlo Simulation for Dislocation Glide in Si, Journal of Computer-Aided Materials Design, 6, 175 (1999).


1. V. V. Bulatov, J. F. Justo, W. Cai and S. Yip, Kink Asymmetry and Multiplicity in Dislocation Cores, Physical Review Letters, 79, 5042 (1997).





W. Cai and W. D. Nix, Imperfections in Crystalline Solids, Cambridge University Press, September 2016.   Website


V. V. Bulatov and W. Cai, Computer Simulations of Dislocations, Oxford University Press, Nov. 2006.  Website




Wei Cai and Somnath Ghosh, Section Editors, “Crystal Plasticity: Atomistics to Macroscale”, in Wanda Andreoni and Sidney Yip (Eds.), Handbook of Materials Modeling, 2nd ed., (Springer, 2018).


R. B. Sills, W. P. Kuykendall, A. Aghaei and W. Cai, “Fundamentals of Dislocation Dynamics Simulations”, in Multiscale Materials Modeling for Nanomechanics, C. R. Weinberger and G. J. Tucker, eds., Springer 2016.


W. Cai, J. Li and S. Yip, Molecular Dynamics, in Comprehensive Nuclear Materials, vol. 1, pp.249-265, (Elsevier, Amsterdam, 2012).


W. Cai, Modelling Dislocations Using a Periodic Cell, Section 2.21, Handbook of Materials Modelling, S. Yip ed., Springer (2005).


W. Cai, V. V. Bulatov, J. Chang, J. Li, and S. Yip, Dislocation Core Effects on Mobility, in F. R. N. Nabarro and J. P. Hirth, ed. Dislocations in Solids, North-Holland Pub. vol. 12, p. 1 (2004).


W. Cai, Atomistic and Mesoscale Modeling of Dislocation Mobility, Ph. D. Thesis, Massachusetts Institute of Technology, 2001.





Y. Wang and W. Cai, “Evaluation of the Surface Tension of Silicon-Gold Binary Liquid Alloy”, Materials Science Forum, 817, 772 (2015).


C. R. Weinberger, S. Aubry, S.-W. Lee and Wei Cai, Dislocation Dynamics Simulations in a Cylinder", Proceedings of the Dislocations 2008 International Conference, IOP Conference Series: Materials Science and Engineering, vol. 3, 012007 (2009).


Vasily Bulatov, Wei Cai, Jeff Fier, Masato Hiratani, Tim Pierce, Meijie Tang, Moono Rhee, Kim Yates, Tom Arsenlis, Scalable Line Dynamics in ParaDiS, Conference on High Performance Networking and Computing, Proceedings of the Proceedings of the ACM/IEEE Super Computing 2004 Conference (SC'04), p. 19.


Wei Cai, Vasily V. Bulatov, Tim G. Pierce, Masato Hiratani, Moono Rhee, Maria Bartelt and Meijie Tang, Massively-Parallel Dislocation Dynamics Simulations, in Solid Mechanics and Its Applications, H. Kitagawa, Y. Shibutani, eds., vol. 115, p. 1, Kluwer Academic Publisher 2004.


Meijie Tang, Guanshui Xu, Wei Cai and Vasily V. Bulatov, Dislocation Image Stresses at Free Surfaces by the Finite Element Method, Materials Research Society Proceedings, vol. 795, U2.4 (2004).


Ju Li, Wei Cai, Jinpeng Chang and Sidney Yip, Atomistic Measures of Materials Strength and Deformation, in Computational Materials Science, ed. R. C. Catlow and E. Kotomin, NATO Science Series, Series III: Computer and Systems Sciences, vol. 187, ISBN 1387-6694, pp. 359-387, (IOS Press, Amsterdam, 2003).


J. Li, W. Cai, J. Chang, and S. Yip, Commentary on Atomistic Simulations of Materials Strength and Deformation: Prospects for Mechanistic Insights, in Materials Science for the 21st Century, Society of Materials Science, Japan, 2001, vol. A, p. 220-233.


V. V. Bulatov, M. Rhee and W. Cai, Periodic Boundary Conditions for Dislocation Dynamics Simulations in Three Dimensions, Materials Research Society Proceedings, vol. 653, Z1.3.1 (2001).


W. Cai, V. V. Bulatov, J. F. Justo, S. Yip and A. S. Argon, Dynamics of Dissociated Dislocations in Si: A Micro-Meso Simulation Methodology, Materials Research Society Proceedings, 538, 69 (1999).





Plenary speaker, “Dislocation Dynamics Across Scales”, in Multiscale Materials Modeling (MMM) 2016 Conference, Dijon, France, Oct 9-14, 2016.


Invited speaker, “The Role of Dislocation Junctions in the Work Hardening of Face Centered Cubic Metals”, Materials Research Society (MRS) Fall Meeting, Boston, MA, Nov 27-Dec 2, 2016.


Invited speaker, “Work Hardening and Athermal Strain Rate Effects in Face-Centered Cubic Metals, Dislocations 2016 International Conference, Purdue University, Sep 19-23, 2016.


Invited speaker, “Dislocation Cross Slip and Plasticity of FCC Metals”, Symposium RR: Scaling Effects in Plasticity – Synergy between Simulation and Experiments, MRS 2014 Fall Meeting, Boston, MA, Nov 30 – Dec 5, 2014.


Invited speaker, “Predicting the Rate of Dislocation Cross Slip”, TMS 2014, San Diego, Feb 16-20, 2014.


Invited speaker, Quantitative Micro-Nano (QMN-4) Workshop to Predict Stress Corrosion Cracking, “Dislocation Dynamics in the Presence of Hydrogen: Opportunities and Challenges”, Toronto, Canada, June 9-14, 2013.


Invited speaker, “Anisotropic Dislocation Mobility and Plastic Strength of BCC Metals”, Dislocations 2012 International Conference, Budapest, Hungary, Aug 27-31, 2012.


Invited speaker, “Dislocation Dynamics and Plasticity in Micro Pillars and Thin Films,” Fifth International Conference on Multiscale Materials Modeling 2010, Freiburg, Germany, October 4-8, 2010.


Invited speaker, “Dislocation Dynamics and Plasticity in Micro Pillars and Thin Films,” Gordon Conference on Thin Film and Small Scale Mechanical Behavior, Colby College, Waterville, ME, July 25-30, 2010.


USNCCM-X 2009, Columbus OH, July 16-19, 2009.  Symposium on Multiphysics Materails Modelling from Atoms to Continuum.  Symposium on Multi-scale Computation and Modeling of Defects in Materials.


Plasticity 2009, St. Thomas, U.S.Virgin Islands, Jan 3-9, 2009.  Minisymposium in Honor of Dave McDowell: On Atomistic and Multiscale Modeling of Dislocation and Defects in Solids.  Symposium on Plasticity and Fracture of Nanomaterials.


Dislocations 2008, Hong Kong, P. R. China, Oct. 13-17, 2008.


Materials Research Society Fall Meeting, Boston, MA, Dec. 1-5, 2008.


Symposium on Multi-Scale Dislocation Dynamics, University of California in San Diego, La Jolla, CA, Jan. 19-20, 2008.


Society for Industrial and Applied Mathematics (SIAM) Conference, Symposium on mathematical aspects of materials science, May 13, 2008. 


7th World Congress on Computational Mechanics, Los Angeles, CA, Jul. 16-22, 2006. Symposium on Defect Mechanics: From Atoms to the Continuum.


Plasticity 2006, Halifax, Canada. July 17-22, 2006.  Symposium on Nanostructured Materials and Metallic Glass.


ASME Symposium on “Mechanical Properties and Microstructural Evolution of Surface and Interfaces”, Orlando, Florida, Nov. 2005


“Multiscale Modeling in Solids", Centre de Recherches Mathematiques, Universite de Montreal, Canada, April-May, 2005.


“Stochastic models for materials”, Max Planck Institute for Mathematical Sciences, Leipzig, Germany, Feb. 2005.


2nd International Workshop “Multiscale Modeling of Strength and Fracture: Linknig through the Mesoscale”,  Berkeley Marina, California, January 7-9, 2004.


"Dislocation 2004", La-Coule-Sur-Loop, France, Sept. 2004.


13th International Conference on the Strength of Materials, Budapest, Hungary, August 2003.


5th EUROMECH Solid Mechanics Conference, Thessaloniki, Greece, August 2003.


IUTAM Symposium on “Mesoscopic Dynamics in Fracture Process and Strength of Materials”, Osaka, Japan, July 2003.


Annual APS March Meeting, Session on Plastic Deformation and Fracture (DMP/GSNP) Austin, Texas, 2003.


Conference on Stochastic and Multi-scale Problems in the Sciences, Institute of Advanced Study, Princeton University, December 2002.


Materials Properties Workshop, Materials and Process Simulation Center, California Institute of Technology, January 2002.


Computational Materials Science Network Workshop, Berkeley, California, June 2001; Los Alamos, New Mexico, June 2002.


Sixth International Conference on Advanced Materials, International Union of Materials Research Society, Hong Kong, July 2000.


"Dislocation 2000", Gaithersburg, Maryland, June 2000.


Materials Research Society Annual Meetings, Boston, Massachusetts, 1998-2005; San Francisco, California, 2002-2003.