Mechanical modeling of graphene using the three-layer-mesh bridging domain method

DOI10.1016/J.CMA.2015.06.001MaRDI QIDQ2632985zbMATH OpenOpenAlexFDO

Authors A. Sadeghirad, Ninghai Su, Feng Liu

Publication date 15 May 2019

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.2015.06.001

zbMATH Keywords

graphenetemperaturemultiscale methodsbridging domain methodcoupled atomistic-continuum simulations

Mathematics Subject Classification ID

Thin films (74K35) Finite element methods applied to problems in solid mechanics (74S05)

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Cites work

• A bridging domain and strain computation method for coupled atomistic-continuum modelling of solids
• A bridging domain method for coupling continua with molecular dynamics
• A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems
• A damping boundary condition for coupled atomistic-continuum simulations
• A reduced integration solid-shell finite element based on the EAS and the ANS concept. Large deformation problems
• A temperature equation for coupled atomistic/continuum simulations
• A three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testing
• Adaptive atomistic-to-continuum modeling of propagating defects
• Computationally efficient explicit nonlinear analyses using reduced integration-based solid-shell finite elements
• Concurrently coupled atomistic and XFEM models for dislocations and cracks
• Conservation properties of the bridging domain method for coupled molecular/continuum dynamics
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Fast parallel algorithms for short-range molecular dynamics
• Formulation and optimization of the energy-based blended quasicontinuum method
• Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes
• Numerical initial value problems in ordinary differential equations.

Cited in

(5)

• Large-scale simulation of graphene and structural superlubricity with improved smoothed molecular dynamics method
• A coupled mechanical-charge/dipole molecular dynamics finite element method, with multi-scale applications to the design of graphene nano-devices
• Coupling of an atomistic model and bond-based peridynamic model using an extended Arlequin framework
• A concurrent multiscale method based on smoothed molecular dynamics for large-scale parallel computation at finite temperature
• Application of optimization methods for finding equilibrium states of two-dimensional crystals

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