Abstract
This paper is a review of the bridging scale method, which was recently proposed to couple atomistic and continuum simulation methods. The theory will be shown in a fully generalized three-dimensional setting, including the numerical calculation of the time history kernel in multiple dimensions, such that a two-way coarse/fine coupled non-reflecting molecular dynamics boundary condition can be found. We present numerical examples in three dimensions validating the bridging scale methodology. The bridging scale method is tested on highly nonlinear dynamic fracture examples, and the ability of the numerically calculated time history kernel in eliminating high frequency wave reflection at the MD/FE interface is shown. All results are compared to benchmark full MD simulations for verification and validation.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
H. S. Park, W. K. Liu, Introduction and tutorial on multiple scale analysis in solids, Computer Methods in Applied Mechanics and Engineering 193 (2004) 1733–1772.
H. S. Park, E. G. Karpov, W. K. Liu, P. A. Klein, The bridging scale for two-dimensional atomistic/continuum coupling, Philosophical Magazine 85 (1) (2005) 79–113.
H. S. Park, E. G. Karpov, P. A. Klein, W. K. Liu, Three-dimensional bridging scale analysis of dynamic fracture, Journal of Computational Physics 207 (2005) 588–609.
G. J. Wagner, W. K. Liu, Coupling of atomistic and continuum simulations using a bridging scale decomposition, Journal of Computational Physics 190 (2003) 249–274.
W. K. Liu, R. Uras, Y. Chen, Enrichment of the finite element method with the reproducing kernel particle method, Journal of Applied Mechanics 64 (1997) 861–870.
G. J. Wagner, W. K. Liu, Hierarchical enrichment for bridging scales and meshfree boundary conditions, International Journal for Numerical Methods in Engineering 50 (2001) 507–524.
L. T. Zhang, G. J. Wagner, W. K. Liu, A parallel meshfree method with boundary enrichment for large-scale cfd, Journal of Computational Physics 176 (2002) 483–506.
D. Qian, G. J. Wagner, W. K. Liu, A multiscale projection method for the analysis of carbon nanotubes, Computer Methods in Applied Mechanics and Engineering 193 (2004) 1603–1632.
H. Kadowaki, W. K. Liu, Bridging multi-scale method for localization problems, Computer Methods in Applied Mechanics and Engineering 193 (2004) 3267–3302.
W. T. Weeks, Numerical inversion of laplace tarnsforms using Laguerre functions, Journal of the Association for Computing Machinery 13 (3) (1966) 419–429.
S. A. Adelman, J. D. Doll, Generalized langevin equation approach for atom/solid-surface scattering: General formulation for classical scattering o. harmonic solids, Journal of Chemical Physics 64 (1976) 2375–2388.
W. Cai, M. DeKoning, V. V. Bulatov, S. Yip, Minimizing boundary reflections in coupled-domain simulations, Physical Review Letters 85 (2000) 3213–3216.
E. Tadmor, M. Ortiz, R. Phillips, Quasicontinuum analysis of defects in solids, Philosophical Magazine A 73 (1996) 1529–1563.
P. A. Klein, A virtual internal bond approach to modeling crack nucleation and growth, Ph.D. Thesis (1999) Stanford University.
M. Arroyo, T. Belytschko, An atomistic-based finite deformation membrane for single layer crystalline films, Journal of the Mechanics and Physics of Solids 50 (2002) 1941–1977.
Tahoe, http://tahoe.ca.sandia.gov.
H. S. Park, E. G. Karpov, W. K. Liu, A temperature equation for coupled atomistic/continuum simulations, Computer Methods in Applied Mechanics and Engineering 193 (2004) 1713–1732.
W. E. Z. Y. Huang, A dynamic atomistic-continuum method for the simulation of crystalline materials, Journal of Computational Physics 182 (1) (2002) 234–261.
G. J. Wagner, E. G. Karpov, W. K. Liu, Molecular dynamics boundary conditions for regular crystal lattices, Computer Methods in Applied Mechanics and Engineering 193 (2004) 1579–1601.
E. G. Karpov, G. J.Wagner, W. K. Liu, A Green's function approach to deriving non-reflecting boundary conditions in molecular dynamics simulations, International Journal for Numerical Methods in Engineering 62 (9) (2005) 1250–1262.
E. G. Karpov, H. Yu, H. S. Park, W. K. Liu, Q. J. Wang, D. Qian, Multiscale boundary conditions in crystalline solids: Theory and application to nanoindentation, International Journal of Solids and Structures Accepted.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2007 Springer
About this chapter
Cite this chapter
Liu, W., Park, H., Karpov, E., Farrell, D. (2007). Bridging Scale Method and Its Applications. In: Griebel, M., Schweitzer, M.A. (eds) Meshfree Methods for Partial Differential Equations III. Lecture Notes in Computational Science and Engineering, vol 57. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-46222-4_11
Download citation
DOI: https://doi.org/10.1007/978-3-540-46222-4_11
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-46214-9
Online ISBN: 978-3-540-46222-4
eBook Packages: Mathematics and StatisticsMathematics and Statistics (R0)