Wei Cai

Journal Publications [back to home page]

  1. Jie Yin and Wei Cai, "Energy Barrier for Cross Slip in FCC Metals", in preparation, (2013).

  2. William Cash and Wei Cai, "Dislocation Drag Effects on Acoustic Nonlinearity", in preparation, (2013).

  3. Ryan Sills and Wei Cai, "Efficient Time Integrators for Dislocation Dynamics Simulations", in preparation, (2013).

  4. Yanming Wang, Seunghwa Ryu and Wei Cai, "A three-dimensional phase field model for vapor-liquid-solid growth of semiconductor nanowires", in preparation, (2013).

  5. Yoonjin Won, Yuan Gao, Matthew A. Panzer, Rong Xiang, Shigeo Maruyama, Thomas W. Kenny, Wei Cai and Kenneth E. Goodson, "Zipping, Entanglement, and the Modulus of Aligned Single-Walled Carbon Nanotube Films", in prepration, (2013).

  6. Piyush Verma, Seunghwa Ryu, Nicholas A. Melosh and Wei Cai, "Effect of nanofunctional and nanoscale heterogeneity on membrane-inorganic interfaces", in prepration for Journal of Chemical Physics (2013).

  7. Keonwook Kang, Vasily V. Bulatov and Wei Cai, "Orientation Dependence of Dislocation Peierls Stress in BCC Metals", in preparation for Modelling and Simulation in Materials Science and Engineering (2013).

  8. William P. Kuykendall and Wei Cai, "Conditional Convergence in 2-Dimensional Dislocation Dynamics", Modelling and Simulation in Materials Science and Engineering, 21, 055003 (2013). [PDF]

  9. Hark B. Lee, Friedrich B. Prinz, and Wei Cai, "Atomistic Simulations of Dopant Segregation at the Grain Boundaries of YSZ and GDC", Acta Materialia, 61, 3872 (2013). [link]

  10. Ill Ryu, William D. Nix and Wei Cai, "Modelling plasticity of BCC micro-pillars using dislocation dynamics", Acta Materialia, 61, 3233 (2013). [PDF]

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  11.   Keonwook Kang, Vasily V. Bulatov and Wei Cai, "Singular orientations and faceted motion of dislocations in body-centered cubic crystals", Proceedings of the National Academy of Sciences, 109, 15174 (2012). [PDF]

  12.   Eunseok Lee, Friedrich B. Prinz and Wei Cai, "Ab-initio Kinetic Monte Carlo Model of Ionic Conduction in Bulk Yttria-stablized Zirconia", Modelling and Simulation in Materials Science and Engineering, 20, 065006 (2012). [PDF]

  13.   Tobin Filleter, Seunghwa Ryu, Keonwook Kang, Jie Yin, R.A. Bernal, K. Sohn, S. Li, J. Huang, Wei Cai, and Horacio D. Espinosa, "Nucleation-Controlled Distributed Plasticity in Penta-Twinned Silver Nanowires", Small, 8, 2986 (2012). [PDF]

  14.   Steven P. Fitzgerald, Sylvie Aubry, Sergei L. Dudarev and Wei Cai, "Dislocation Dynamics Simulation of Frank-Read Sources in Anisotropic α-Fe", Modelling and Simulation in Materials Science and Engineering, 20, 045022 (2012).

  15.   Jie Yin, David M. Barnett, Steven P. Fitzgerald and Wei Cai, "Computing dislocation stress fields in anisotropic elastic media using fast multipole expansions", Modelling and Simulation in Materials Science and Engineering, 20, 045015 (2012). [PDF] [code]

  16.   William D. Cash and Wei Cai, "Contribution of dislocation dipole structures to the acoustic nonlinearity", Journal of Applied Physics, 111, 074906 (2012). [PDF]

  17.   Christopher R. Weinberger and Wei Cai, "Plasticity of Metal Nanowires", Journal of Materials Chemistry. Invited review article, 22, 3277, (2012). [PDF] [RSC] [DOI]

  18.   William P. Kuykendall, William D. Cash, David M. Barnett and Wei Cai, "Existence of the Equivalent Inclusion for Eshelby's Inhomogeneity Problem", Mathematics and Mechanics of Solids, in press (2012). [PDF] [DOI]

  19.   Adele T. Lim, Mikko Haataja, Wei Cai and David J. Srolovitz, "Stress-driven Migration of Simple Low-Angle Mixed Grain Boundaries", Acta Materialia, 60, 1395 (2012). [PDF]

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  20.   Seunghwa Ryu, Keonwook Kang and Wei Cai, "Predicting the Dislocation Nucleation Rate as a Function of Temperature and Stress", Journal of Materials Research, 26, 2335 (2011). Invited feature article [PDF]

  21.   Sylvie Aubry, Steven P. Fitzgerald, Sergei L. Dudarev and Wei Cai, "Equilibrium Shape of Dislocation Shear Loops in Anisotropic α-Fe", Modelling and Simulation in Materials Science and Engineering, 19, 065006 (2011). [PDF]

  22.   Seunghwa Ryu and Wei Cai, "Molecular Dynamics Simulations of Gold-Catalyzed Growth of Silicon Bulk Crystals and Nanowires", Journal of Materials Research, 26, 2199 (2011). Invited focus issue. [PDF]

  23.   Sylvie Aubry, Seunghwa Ryu, Keonwook Kang and Wei Cai, "Energy Barrier for Homogeneous Dislocation Nucleation: Comparing Atomistic and Continuum Models", Scripta Materialia, 64, 1043 (2011). [PDF] [DOI]

  24.   Seunghwa Ryu, Keonwook Kang and Wei Cai, "Entropic Effect on the Rate of Dislocation Nucleation", Proceedings of the National Academy of Sciences,  108, 5174 (2011). [PDF] [arXiv] Paper selected in the Research Highlight of Nature Materials.

  25.   Eunseok Lee, Friedrich B. Prinz and Wei Cai, "Enhancing Ionic Conductivity of Yttria-Stabilized Zirconia Single Crystal by Tailoring Dopant Distribution", Physical Review B  (Brief Reports), 83, 052301 (2011). [arXiv] [PDF]

  26.   Seokwoo Lee, Sylvie Aubry, William D. Nix and Wei Cai, "Dislocation Junctions and Jogs in Free Standing Thin Films", Modelling and Simulation in Materials Science and Engineering, 19, 025002 (2011). [PDF] [ISI] (cited 1)

  27.   William Cash and Wei Cai, "Dislocation contribution to acoustic nonlinearity: The effect of orientation-dependent line energy", Journal of Applied Physics, 109, 014915 (2011). [PDF]

  28.   Christopher R. Weinberger and Wei Cai, "The Stability of Lomer-Cottrell Jogs in Nanopillars", Scripta Materialia, 64, 529 (2011). [PDF] [DOI] [ISI] (cited 1)

  29.   Benjamin D. Almquist, Piyush Verma, Wei Cai and Nicholas A. Melosh, "Nanoscale patterning controls inorganic-membrane interface structure", Nanoscale, 3, 391 (2011). [DOI] [PDF] [ISI] (cited 1)

    30.  
  30.   Haneesh Kesari, Joseph C. Doll, Beth L. Pruitt, Wei Cai and Adrian J. Lew, "Role of Surface Roughness in Hysteresis during Adhesive Elastic Contact", Philosophical Magazine Letters, 90, 891 (2010). [PDF] One of the three 2010 highly commended papers in Philosophical Magazine / Philosophical Magainze Letters. [ISI] (cited 1)

  31.   Michael Tonks, Paul Millett, Wei Cai and Dieter Wolf, "Analysis of the Elastic Strain Energy Driving Force for Grain Boundary Migration using Phase Field Simulation", Scripta Materialia, 63, 1049 (2010). [DOI] [PDF] [ISI] (cited 1)

  32.   Seunghwa Ryu and Wei Cai, "Numerical Tests of Nucleation Theories for the Ising Models", Physical Review E, 82, 011603 (2010). [PDF] [DOI]

  33.   Christopher R. Weinberger and Wei Cai, "Plasticity of metal wires in torsion: molecular dynamics and dislocation dynamics simulations", Journal of Mechanics and Physics of Solids, 58, 1011 (2010). [DOI] [PDF] [ISI] (cited 1)

  34.   Jie Yin, David M. Barnett, and Wei Cai, "Efficient Computation of Forces on Dislocation Segments in Anisotropic Elasticity", Modelling and Simulation in Materials Science and Engineering, 18, 045013 (2010). [PDF] [ISI] [code] (cited 1)

  35.   Seunghwa Ryu and Wei Cai, "The Validity of Classical Nucleation Theory for Ising Models", Physical Review E (Rapid Communications), 81, 030601 (R) (2010). [PDF] [ISI] (cited 5)

  36.   K. Kang, Wei Cai, "Size and Temperature Effects on Brittle and Ductile Fracture of Silicon Nanowires", International Journal of Plasticity, 26, 1387 (2010). [DOI] [PDF] [ISI] (cited 2)

  37.   Christopher R. Weinberger and Wei Cai, "Orientation dependent plasticity in metal nanowires under torsion: twist boundary formation and Eshelby twist", Nano Letters, 10, 130142 (2010). [PDF] [ISI] (cited 2)

  38.   Seunghwa Ryu and Wei Cai, "A Gold-Silicon Potential Fitted to the Binary Phase Diagram", Journal of Physics Condensed Matter, 22, 055401 (2010). [PDF] Paper chosen in IOP Select. (cited 0)

  39.   Hark B. Lee, Friedrich B. Prinz, and Wei Cai, "Atomistic Simulations of Surface Segregation of Defects in Solid Oxide Electrolytes", Acta Materialia, 58, 2197 (2010). [DOI] [PDF] [ISI] (cited 3)

  40.   Eunseok Lee, Friedrich B. Prinz and Wei 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). [DOI] [PDF] [ISI] (cited 2)

    41.  
  41.   Seunghwa Ryu, Christopher R. Weinberger, Michael I. Baskes, and Wei Cai, "Improved Modified Embedded-Atom Method Potentials for Gold and Silicon", Modelling and Simulation in Materials Science and Engineering, 17, 075008 (2009). [PDF] [isi] [ISI] (cited 2)

  42.   C. R. Weinberger, S. Aubry, S.-W. Lee, W. D. Nix and Wei Cai, "Modelling Dislocations in a Free-Standing Thin Film", Modelling and Simulation in Materials Science and Engineering, 17, 075007 (2009). [PDF] [ISI] (cited 3)

  43.   H. S. Park, Wei Cai, H. D. Espinosa and H. Huang "Mechanics of Crystalline Nanowires", invited review paper, MRS Bulletin, 34, 178 (March, 2009). [PDF] [isi] (cited 23)

  44.   Wei Cai and Christopher R. Weinberger, "Energy of a Prismatic Dislocation Loop in an Elastic Cylinder", Mathematics and Mechanics of Solids, 14, 192 (2009). [PDF] [isi] (cited 1)

    45.  
  45.   Seunghwa Ryu and Wei Cai, "Comparison of Thermal Properties Predicted by Interatomic Potential Models", Modelling and Simulation in Materials Science and Engineering, 16, 085005 (2008). [PDF] Paper selected as  MSMSE featured article. [isi] [code] (cited 4)

  46.   Christopher R. Weinberger and Wei Cai, "Surface Controlled Dislocation Multiplication in Metal Micro-pillars", Proceedings of the National Academy of Sciences, 105, 14304 (2008). [PDF] [isi] (cited 28)

  47.   Wei Cai, William Fong, Erich Elsen and Christopher 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). [PDF] [isi] (cited 3)

  48.   Seunghwa Ryu, Wei Cai and Alfredo Caro, "Quantum Entanglement of Formation between Qudits", Phys. Rev. A, 77, 052312 (2008). [PDF] Paper selected for the May 2008 issue of Virtual Journal of Quantum Information. [code] [isi] (cited 6)

  49.   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", Materials Science and Engineering A, 493, 21 (2008). [PDF] [isi] (cited 38)

    50.  
  50.   K. Kang, Wei Cai, "Brittle and Ductile Fracture of Semiconductor Nanowires – Molecular Dynamics Simulations", Philosophical Magazine, 87, 2169, (2007). [PDF] [isi] (cited 21)

  51.   E. Lee, Wei Cai, G. Galli, "Electronic Structure Calculations in a Uniform Magnetic Field using Periodic Supercells", Journal of Computational Physics, 226, 1310 (2007). [PDF] [isi] (cited 1)

  52.   C. R. Weinberger and Wei Cai, "Computing Image Stress in an Elastic Cylinder", Journal of the Mechanics and Physics of Solids, 55, 2027 (2007) [PDF] [isi] (cited 12)

  53.   A. Arsenlis, Wei 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 and Simulation in Materials Science and Engineering, 15, 553 (2007). [PDF] Paper selected in  2007 Highlights for MSMSE. [isi] (cited 40)

    54.  
  54.   V. V. Bulatov, et al. , "Dislocation multi-junctions and strain hardening", Nature, 440, 1174 (2006). [PDF] [isi] (cited 43)

  55.   Wei Cai, Athanasios Arsenlis, Christopher R. Weinberger, Vasily V. Bulatov, "A non-singular continuum theory of dislocations", Journal of the Mechanics and Physics of Solids, 54, 561 (2006). [PDF] Paper discussed in Online Textbook of Solid Mechanics (A. F. Bower). [isi] [code] (cited 32)

  56.   M. Tang, Wei 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 (2006). [PDF] [isi] (cited 11)

  57.   V. V. Bulatov, Wei Cai, R. Baran, K. Kang, "Geometric aspects of the ideal shear resistance in simple crystal lattices", Philosophical Magazine, 86, 3847 (2006). [PDF] [isi] (cited 0)

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  58.   C. S. Deo, D. J. Srolovitz, Wei 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 (2005). [PDF] [isi] (cited 4)

  59.   C. S. Deo, D. J. Srolovitz, Wei Cai, V. V. Bulatov, "Kinetic Monte Carlo method for dislocation migration in the presence of solute", Physical Review B, 71, 014106 (2005). [PDF] [isi] (cited 1)

  60.   M. de Koning, Wei 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). [PDF] [isi] (cited 3)

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  61.   Ju Li, Cai-Zhuang Wang, Jin-Peng Chang, Wei Cai, Vasily V. Bulatov, Kai-Ming Ho, Sidney 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). [PDF] [oppie] [isi] (cited 22)

  62.   Wei Cai and Giulia Galli, "Ab initio calculations in a uniform magnetic field using periodic supercells", Physical Review Letters, 92, 186402 (2004). [PDF] [isi] (cited 8)

  63.   Jaime Marian, Wei Cai and Vasily V. Bulatov, "Dynamic transitions from smooth to rough to twinning in dislocation motion", Nature Materials, 3, 158 (2004). [PDF] [isi] (cited 63)

  64.   Wei Cai and Vasily V. Bulatov, "Mobility laws in dislocation dynamics simulations", Materials Science and Engineering A, 387, 277 (2004). [PDF] [isi] (cited 11)

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  65.   Maurice de Koning, Wei Cai and Vasily V. Bulatov, "Anomalous Dislocation Multiplication in FCC Metals", Physical Review Letters, 91, 022503 (2003). [PDF] [isi] (cited 21)

  66.   Wei Cai, V. V. Bulatov, J. Chang, J. Li, and S. Yip, "Periodic Image Effects in Dislocation Modeling", Philosophical Magazine A, 83, 539 (2003). [PDF] [isi] [code] (cited 36)

  67.   M. de Koning, R. J. Kurtz, V. V. Bulatov, C. H. Henager, R. G. Hoagland, Wei Cai and M. Nomura, "Modeling of dislocation-grain boundary interactions in FCC metals", Journal of Nuclear Materials, 323, 281 (2003). [PDF] [isi] (cited 28)

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  68.   Wei 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). [PDF] [isi] (cited 11)

  69.   V. V. Bulatov and Wei Cai, "Nodal effects in dislocation mobility", Physical Review Letters, 89, 115501 (2002). [PDF] [isi] (cited 8)

  70.   Wei 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). [PDF] [isi] (cited 8)

  71.   J. Chang, Wei 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). [PDF] [isi] (cited 24)

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  72.   Wei 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). [PDF] [isi] [code] (cited 29)

  73.   V. V. Bulatov, J. F. Justo, Wei 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). [PDF] [isi] (cited 37)

  74.   Wei 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). [PDF] [isi] (cited 12)

  75.   J. Chang, Wei Cai, V. V. Bulatov and S. Yip, "Dislocation Motion in BCC Metals by Molecular Dynamics", Materials Science and Engineering A, 309-310, 160 (2001). [PDF] [isi] (cited 23)

  76.   J. F. Justo, M. de Koning, Wei Cai and V. V. Bulatov, "Point defect interaction with dislocations in silicon", Materials Science and Engineering A, 309-310, 129 (2001). [isi] (cited 6)

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  77.   Wei Cai, M. de Koning, V. V. Bulatov and S. Yip, "Minimizing Boundary Reflections in Coupled-Domain Simulations", Physical Review Letters, 85, 3213 (2000). [PDF] [isi] (cited 101)

  78.   Wei 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). [PDF] [isi] (cited 40)

  79.   J. F. Justo, M. de Koning, Wei Cai and V. V. Bulatov, "Vacancy Interaction with Dislocation in Silicon: The Shuffle versus Glide Competition", Physical Review Letters, 84 2172 (2000). [PDF] [isi] (cited 40)

  80.   M. de Koning, Wei Cai, A. Antonelli and S. Yip, "Efficient Free-Energy Calculations by the Simulation of Nonequilibrium Processes", Computing in Science and Engineering, 2, 88 (2000). [PDF] [isi] (cited 11)

    81.  
  81.   Wei Cai, V. V. Bulatov and S. Yip, "Kinetic Monte Carlo method for dislocation glide in silicon ", Journal of Computer-Aided Material Design, 6 (2-3), 175 (1999). Journal of Computer-Aided Materials Design, 6, 175 (1999). [PDF] [isi] (cited 12)

  82.   V. V. Bulatov, J. F. Justo, Wei Cai and S. Yip, "Kink Asymmetry and Multiplicity in Dislocation Cores", Physical Review Letters, 79, 5042 (1997). [PDF] [isi] (cited 29)

Total times cited: 1472. The h-index 22. As of 2013/01/27.
[ISI] Search for (AU = Cai W) AND ((AD = MIT AND AD = Nucl) OR (AD = Lawrence) OR (AD = Stanford AND AD = Mech)) → Create citation report
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Books and Chapters [back to home page]

  1. Vasily V. Bulatov and Wei Cai, Computer Simulations of Dislocations, Oxford University Press, Oct 2006. (google book preview)

  2. Wei Cai, Ju Li and Sidney Yip, "Molecular Dynamics", in R. J. M. Konings, Comprehensive Nuclear Materials, vol. 1, pp.249-265, (Elsevier, Amsterdam, 2012). [PDF]

  3. Wei Cai, "Modelling Dislocations using a Periodic Supercell", Handbook of Materials Modelling, S. Yip, ed. Section 2.21, Springer (2005).

  4. Wei 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). [PDF] (google book preview)

  5. Wei Cai, "Atomistic and Mesoscale Modeling of Dislocation Mobility", PhD Thesis, Massachesetts Institute of Technology, 2001. [PDF]

Conference Proceedings [back to home page]

  1. 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). [PDF]

  2. 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. [PDF]

  3. 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. [PDF]

  4. Meijie Tang, Guanshui Xu, Wei Cai and Vasily V. Bulatov, "Dislocation Image Stresses at Free Surfaces by the Finite Element Method", Mat. Res. Soc. Symp. Proc. vol 795, U.2.4.1 (2004). [PDF]

  5. 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). [PDF]

  6. Ju Li, Wei Cai, Jinpeng Chang and Sidney 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. [PDF]

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

  8. Wei 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).