Large-scale simulation of graphene and structural superlubricity with improved smoothed molecular dynamics method

DOI10.1016/J.CMA.2022.114644OpenAlexW4211201702MaRDI QIDQ2138679FDOQ2138679

Shuai Wang, LeiYang Zhao, Y. Liu

Publication date: 12 May 2022

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cma.2022.114644

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zbMATH Keywords

grapheneload balancemultiple time stepdual meshsmoothed molecular dynamicsstructural superlubricity

Mathematics Subject Classification ID

Lubrication theory (76D08)

Cites Work

• Fast parallel algorithms for short-range molecular dynamics
• A bridging domain method for coupling continua with molecular dynamics
• Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
• Bridging scale methods for nanomechanics and materials
• On Atomistic-to-Continuum Coupling by Blending
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• Concurrent coupling of atomistic and continuum models at finite temperature
• Mechanical modeling of graphene using the three-layer-mesh bridging domain method
• An improved smoothed molecular dynamics method by alternating with molecular dynamics
• Multiple time step molecular dynamics simulation for interaction between dislocations and grain boundaries
• Smoothed dynamics of highly oscillatory Hamiltonian systems
• A multiscale computational framework for the analysis of graphene involving geometrical and material nonlinearities
• Modeling of nonlinear vibration of graphene sheets using a meshfree method based on nonlocal elasticity theory
• Strain Gradient Finite Element Analysis on the Vibration of Double-Layered Graphene Sheets
• An efficient coarse-grained parallel algorithm for global-local multiscale computations on massively parallel systems
• An ordinary state-based peridynamic model for the fracture of zigzag graphene sheets
• Coarse-grained modeling and simulation of graphene sheets based on a discrete hyperelastic approach
• Multilayered grouping parallel algorithm for multiple-level multiscale analyses

Cited In (1)

• A concurrent multiscale method based on smoothed molecular dynamics for large-scale parallel computation at finite temperature

Uses Software

• MACI

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