Publication de 6 numéros par an
ISSN Imprimer: 1543-1649
ISSN En ligne: 1940-4352
Indexed in
Composite Grid Atomistic Continuum Method: An Adaptive Approach to Bridge Continuum with Atomistic Analysis
RÉSUMÉ
The Composite Grid Atomistic Continuum Method, a method to couple continuum and atomistic models, is proposed in a three-dimensional setting. In this method, atomistic analysis is used only at places where it is needed in order to capture the intrinsically nonlinear/nonlocal behavior of the material at the atomic scale, while continuum analysis is used elsewhere for efficiency. The atomistic model is defined on a separate grid that overlaps the continuum in selected regions. The atomistic and the smallest scale continuum model are connected by appropriately defined operators. The continuum model provides boundary conditions to the discrete model while the atomistic model returns correcting eigenstrains. The adaptive selection of the spatial regions where the atomistic correction is needed is made based on error indicators developed to capture the nonlinearity and nonlocality modeling errors. The method is applied to represent dislocation nucleation from crack tips and nanoindentation in aluminum.
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Donev Aleksandar, Bell John B., Garcia Alejandro L., Alder Berni J., A Hybrid Particle-Continuum Method for Hydrodynamics of Complex Fluids, Multiscale Modeling & Simulation, 8, 3, 2010. Crossref
-
Fish Jacob, Bridging the scales in nano engineering and science, Journal of Nanoparticle Research, 8, 5, 2006. Crossref
-
Luan B. Q., Hyun S., Molinari J. F., Bernstein N., Robbins Mark O., Multiscale modeling of two-dimensional contacts, Physical Review E, 74, 4, 2006. Crossref
-
Kobayashi Ryo, Nakamura Takahide, Ogata Shuji, A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system, International Journal for Numerical Methods in Engineering, 83, 2, 2010. Crossref
-
Chen Wen, Fish Jacob, A generalized space–time mathematical homogenization theory for bridging atomistic and continuum scales, International Journal for Numerical Methods in Engineering, 67, 2, 2006. Crossref
-
Miller Ronald E, Tadmor E B, A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods, Modelling and Simulation in Materials Science and Engineering, 17, 5, 2009. Crossref
-
Delalondre Fabien, Smith Cameron, Shephard Mark S., Collaborative software infrastructure for adaptive multiple model simulation, Computer Methods in Applied Mechanics and Engineering, 199, 21-22, 2010. Crossref
-
Mathew N., Picu R.C., Bloomfield M., Concurrent coupling of atomistic and continuum models at finite temperature, Computer Methods in Applied Mechanics and Engineering, 200, 5-8, 2011. Crossref
-
Fish Jacob, Nuggehally Mohan A., Shephard Mark S., Picu Catalin R., Badia Santiago, Parks Michael L., Gunzburger Max, Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force, Computer Methods in Applied Mechanics and Engineering, 196, 45-48, 2007. Crossref
-
Brinckmann Steffen, Mahajan Dhiraj K., Hartmaier Alexander, A scheme to combine molecular dynamics and dislocation dynamics, Modelling and Simulation in Materials Science and Engineering, 20, 4, 2012. Crossref
-
Biyikli Emre, Yang Qingcheng, To Albert C., Multiresolution Molecular Mechanics: Dynamics, Computer Methods in Applied Mechanics and Engineering, 274, 2014. Crossref
-
Talebi Hossein, Silani Mohammad, Bordas Stéphane P. A., Kerfriden Pierre, Rabczuk Timon, A computational library for multiscale modeling of material failure, Computational Mechanics, 53, 5, 2014. Crossref
-
Miller Ronald E., Tadmor Ellad B., Hybrid Continuum Mechanics and Atomistic Methods for Simulating Materials Deformation and Failure, MRS Bulletin, 32, 11, 2007. Crossref
-
Miller R.E., Coupled atomistic/continuum modelling of plasticity in materials, in Multiscale Materials Modelling, 2007. Crossref
-
Kochmann Dennis M, Venturini Gabriela N, A meshless quasicontinuum method based on local maximum-entropy interpolation, Modelling and Simulation in Materials Science and Engineering, 22, 3, 2014. Crossref
-
Kobayashi Ryo, Nakamura Takahide, Ogata Shuji, A Coupled Molecular Dynamics/Coarse-Grained-Particle Method for Dynamic Simulation of Crack Growth at Finite Temperatures, MATERIALS TRANSACTIONS, 52, 8, 2011. Crossref
-
Gooneie Ali, Schuschnigg Stephan, Holzer Clemens, A Review of Multiscale Computational Methods in Polymeric Materials, Polymers, 9, 12, 2017. Crossref
-
Shuang Fei, Xiao Pan, Ke Fujiu, Bai Yilong, Efficiency and fidelity of molecular simulations relevant to dislocation evolutions, Computational Materials Science, 139, 2017. Crossref
-
Shephard Mark S, Beall Mark W, O'Bara Robert M, Webster Bruce E, Toward simulation-based design, Finite Elements in Analysis and Design, 40, 12, 2004. Crossref
-
Kavalur Aditya, Kim Woo Kyun, A hybrid quasicontinuum method, International Journal for Numerical Methods in Engineering, 117, 10, 2019. Crossref
-
Tavazza Francesca, Levine Lyle E., Chaka Anne M., Hybrid Methods for Atomic-Level Simulations Spanning Multiple-Length Scales in the Solid State, in Reviews in Computational Chemistry, 2009. Crossref
-
Olson Derek, Li Xingjie, Ortner Christoph, Van Koten Brian, Force-based atomistic/continuum blending for multilattices, Numerische Mathematik, 140, 3, 2018. Crossref
-
Kochmann Dennis M., Amelang Jeffrey S., The Quasicontinuum Method: Theory and Applications, in Multiscale Materials Modeling for Nanomechanics, 245, 2016. Crossref
-
Emery John M., Ingraffea Anthony R., DDSim: Framework for Multiscale Structural Prognosis, in Computational Methods for Microstructure-Property Relationships, 2011. Crossref
-
Further Introduction to Concurrent Multiscale Methods, in Multiscale Analysis of Deformation and Failure of Materials, 2010. Crossref