Implementing peridynamics within a molecular dynamics code

Computer Physics Communications

Volumn 179, Issue 11, 2008, Pages 777-783

  Parks, Michael L ^a   Lehoucq, Richard B ^a   Plimpton, Steven J ^a   Silling, Stewart A ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Continuum mechanics; Molecular dynamics; Multiscale; Parallel computing; Peridynamics

Indexed keywords

CODES (SYMBOLS); COMPUTATIONAL MECHANICS; CONTINUUM MECHANICS; ELASTICITY; MECHANICS; MOLECULAR DYNAMICS; PARALLEL PROCESSING SYSTEMS; QUANTUM CHEMISTRY;

CONTINUUM THEORIES; EFFICIENT IMPLEMENTATIONS; FINITE DISTANCES; IMPLEMENTING; INTERACTING PARTICLES; MACROSCOPIC LENGTHS; MATERIAL BEHAVIORS; MATERIAL PROPERTIES; MD CODES; MESHLESS METHODS; MESOSCOPIC; MOLECULAR DYNAMICS CODES; MULTISCALE; NONLOCAL MODELS; PARALLEL COMPUTING; PERIDYNAMICS; TIME SCALES;

DYNAMICS;

EID: 52949136800     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2008.06.011     Document Type: Article

References (20)

1. Bažant Z.P., and Jirásek M. Nonlocal integral formulations of plasticity and damage: Survey of progress. J. Eng. Mech. 128 (2002) 1119-1149
2. Bobaru F. Influence of van der Waals forces on increasing the strength and toughness in dynamic fracture of nanofibre networks: A peridynamic approach. Modelling and Simulation in Materials Science and Engineering 15 (2007) 397-417
3. Chen Y., Lee J.D., and Eskandarian A. Atomistic viewpoint of the applicability of microcontinuum theories. Int. J. Solids Structures 41 (2004) 2085-2097
4. Dupuy L.M., Tadmor E.B., Miller R.E., and Phillips R. Finite-temperature quasicontinuum: Molecular dynamics without all the atoms. Phys. Rev. Lett. 95 6 (2005) 060202
5. Hockney R.W., Goel S.P., and Eastwood J.W. Quiet high-resolution computer models of a plasma. J. Comp. Phys. 14 (1974) 148-158
6. Lehoucq R.B., and Silling S.A. Force flux and the peridynamic stress tensor. J. Mech. Phys. Solids 56 (2008) 1566-1577 Available at doi:10.1016/j.jmps.2007.08.004
7. Lennard-Jones J.E. Cohesion. Proc. Phys. Soc. 43 5 (1931) 461-482
8. Li S., and Liu W.K. Meshfree Particle Methods (2004), Springer-Verlag
9. Luan B.Q., Hyun S., Molinari J.F., Bernstein N., and Robbins M.O. Multiscale modeling of two-dimensional contacts. Phys. Rev. E (Statistical, Nonlinear, and Soft Matter Physics) 74 4 (2006) 046710
10. Miller R.E., and Tadmor E.B. Hybrid continuum mechanics and atomistic methods for simulating materials deformation and failure. In: de Pablo J.J., and Curtin W.A. (Eds). Multiscale Modeling in Advanced Materials Research. MRS Bulletin vol. 32 (November 2007) 920-926. Available at http://www.mrs.org/s_mrs/sec_subscribe.asp?CID=11404&DID=202874& action=detail
11. Padding J.T., and Louis A.A. Hydrodynamic interactions and Brownian forces in colloidal suspensions: Coarse-graining over time and length scales. Phys. Rev. E (Statistical, Nonlinear, and Soft Matter Physics) 74 3 (2006) 031402
12. M.L. Parks, S.J. Plimpton, R.B. Lehoucq, S.A. Silling, Peridynamics with LAMMPS: A user guide, Technical Report SAND 2008-1035, Sandia National Laboratories, January 2008. Available at http://www.sandia.gov/~mlparks
13. Plimpton S.J. Fast parallel algorithms for short-range molecular dynamics. J. Comp. Phys. 117 (1995) 1-19. http://lammps.sandia.gov Available at
14. Silling S.A. Reformulation of elasticity theory for discontinuities and long-range forces. J. Mech. Phys. Solids 48 (2000) 175-209 Available at doi:10.1016/S0022-5096(99)00029-0
15. Silling S.A., and Askari E. A meshfree method based on the peridynamic model of solid mechanics. Comp. Struct. 83 (2005) 1526-1535 Available at doi:10.1016/j.compstruc.2004.11.026
16. Silling S.A., and Bobaru F. Peridynamic modeling of membranes and fibers. Int. J. Non-Linear Mech. 40 (2005) 395-409 Available at doi:10.1016/j.ijnonlinmec.2004.08.004
17. Silling S.A., Epton M., Weckner O., Xu J., and Askari E. Peridynamic states and constitutive modeling. J. Elasticity 88 (2007) 151-184 Available at doi:10.1007/s10659-007-9125-1
18. Silling S.A. EMU webpage. http://www.sandia.gov/emu/emu.htm
19. Silling S.A., and Lehoucq R.B. Convergence of peridynamics to classical elasticity theory. J. Elasticity (2008) in press. Available at doi:10.1007/s10659-008-9163-3
20. Verlet L. Computer experiments on classical fluids: I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev. 159 (1967) 98-103