Computer Simulations of Dislocations

Vasily V Bulatov, Lawrence Livermore National LaboratoryEducation:B. Sc., theoretical physics, Moscow Physical Engineering Inst. (1979)Ph. D., materials physics, USSR Academy of Sciences (1986)Appointments: Senior scientist, Inst. of Chemical Physics, Moscow (1997)Research scientist, Massachusetts Institute of Technology (1990-1998)Visiting scientist, Harvard University (1996-1997)Staff scientist, senior scientist, Lawrence Livermore National Laboratory (1999-present)Awards: Edward Teller Fellow (2006) Fellow of the American Physical Society (2005) Alcoa Foundation Award (1996), UK Institute of Physics fellow (2001)William and Mary Greve Foundation fellow (1990), Wei Cai, Department of Mechanical Engineering, Stanford UniversityEducation:B.Sc., optoelectronics, Huazhong University, PRC (1995)Ph. D., nuclear engineering, Massachusetts Institute of Technology (2001)Appointments:Lawrence Fellow, Lawrence Livermore National Laboratory (2001-2004)Assistant Professor, Stanford University (2004-present)Awards:NSF Career Award (2006) Manson Benedict Fellow, Department of Nuclear Engineering, MIT (1999)Graduate Student Award, Materials Research Society (2000)The Lawrence Fellowship, Lawrence Livermore National Laboratory (2001)Presidential Early Career Award for Scientists and Engineers (2004)Frederick E. Terman Fellowship, Stanford University (2004-2007)

• 1. Introduction to crystal dislocations ; Atomistic Models ; 2. Fundamentals of atomistic simulations ; 3. Case study of static simulation ; 4. Case study of dynamic simulation ; 5. More about periodic boundary conditions ; 6. Free energy calculations ; 7. Finding transition pathways ; PART 2 ; Continuum Models ; 8. Peierls-Nabarro model of dislocations ; 9. Kinetic Monte Carlo method ; 10. Line Dislocation Dynamics ; 11. The Phase Field method

This book presents a collection of models and computational methods applied to crystal dislocations, to help researchers in materials science gain a practical knowledge of simulation. Materials World, November 2007.