Coupling molecular dynamics and continua with weak constraints
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Publication:2903608
DOI10.1137/100782097zbMATH Open1244.82004OpenAlexW1975601007MaRDI QIDQ2903608FDOQ2903608
Rolf Krause, Konstantin Fackeldey, Christoph Lenzen, Dorian Krause
Publication date: 11 August 2012
Published in: Multiscale Modeling \& Simulation (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1137/100782097
Molecular, statistical, and kinetic theories in solid mechanics (74A25) Systems arising from the discretization of structural vibration problems (70J50)
Cited In (22)
- A Lagrangian-based continuum homogenization approach applicable to molecular dynamics simulations
- Title not available (Why is that?)
- Traction boundary conditions for molecular static simulations
- A Parallel Multiscale Simulation Toolbox for Coupling Molecular Dynamics and Finite Elements
- An Immersed Boundary Method Based on the L 2-Projection Approach
- Numerical validation of a constraints-based multiscale simulation method for solids
- Continuum mechanics from molecular dynamics via adiabatic time and length scale separation
- From Molecular Dynamics and Particle Simulations towards Constitutive Relations for Continuum Theory
- Variational boundary conditions for molecular dynamics simulations: treatment of the loading condition
- Selective damping method for the weak-Arlequin coupling of molecular dynamics and finite element method
- Challenges in atomistic-to-continuum coupling
- Hybrid Method for Coupling Molecular Dynamics and Continuum: Applications to One-Dimensional Models
- An immersed boundary method for fluid-structure interaction based on variational transfer
- Coupling of an atomistic model and bond-based peridynamic model using an extended Arlequin framework
- SHAKE and the exact constraint satisfaction of the dynamics of semi-rigid molecules in Cartesian coordinates, 1973--1977
- A damping boundary condition for coupled atomistic-continuum simulations
- Coarse-graining molecular dynamics models using an extended Galerkin projection method
- Frontiers in Mortar Methods for Isogeometric Analysis
- On the identification of continuum concepts and fields with molecular variables
- Onto resolving spurious wave reflection problem with changing nonlocality among various length scales
- Convergence of molecular models to continuum mechanics models
- A Perturbative Approach to Control Variates in Molecular Dynamics
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