For a general class of atomistic-to-continuum coupling methods, coupling multi-body interatomic potentials with a P-finite element discretisation of Cauchy–Born nonlinear elasticity, this paper adresses the question whether (or, absence of ) implies a first-order error estimate. In two dimensions it is shown that this is indeed true under the following additional technical assumptions: (i) an energy consistency condition, (ii) locality of the interface correction, (iii) volumetric scaling of the...
For a general class of atomistic-to-continuum coupling methods, coupling multi-body interatomic potentials with a P-finite element discretisation of Cauchy–Born nonlinear elasticity, this paper adresses the question whether (or, absence of ) implies a first-order error estimate. In two dimensions it is shown that this is indeed true under the following additional technical assumptions: (i) an energy consistency condition, (ii) locality of the interface correction, (iii) volumetric scaling of the...
We investigate the stability of Bravais lattices and their Cauchy–Born approximations under periodic perturbations. We formulate a general interaction law and derive its Cauchy–Born continuum limit. We then analyze the atomistic and Cauchy–Born stability regions, that is, the sets of all matrices that describe a stable Bravais lattice in the atomistic and Cauchy–Born models respectively. Motivated by recent results in one dimension on the stability of atomistic/continuum coupling methods, we analyze...
The quasicontinuum method is a coarse-graining technique for
reducing the complexity of atomistic simulations in a static and
quasistatic setting. In this paper we aim to give a detailed and error analysis for a quasicontinuum
method in one dimension. We consider atomistic models with
Lennard–Jones type long-range interactions and a QC formulation
which incorporates several important aspects of practical QC
methods. First, we prove the existence, the local uniqueness and the
stability...
We investigate the stability of Bravais lattices and their
Cauchy–Born approximations under periodic perturbations. We
formulate a general interaction law and derive its Cauchy–Born
continuum limit. We then analyze the atomistic and Cauchy–Born
stability regions, that is, the sets of all matrices that describe a
stable Bravais lattice in the atomistic and Cauchy–Born
models respectively. Motivated by recent results in one dimension on the stability of
atomistic/continuum coupling methods,...
The surface Cauchy–Born (SCB) method is a computational multi-scale method for the simulation of surface-dominated crystalline materials. We present an error analysis of the SCB method, focused on the role of surface relaxation. In a linearized 1D model we show that the error committed by the SCB method is 𝒪(1) in the mesh size; however, we are able to identify an alternative “approximation parameter” – the stiffness of the interaction potential – with respect to which the relative error...
The surface Cauchy–Born (SCB) method is a computational multi-scale method for the simulation of surface-dominated crystalline materials. We present an error analysis of the SCB method, focused on the role of surface relaxation. In a linearized 1D model we show that the error committed by the SCB method is
𝒪(1) in the mesh size; however, we are able to identify an alternative “approximation parameter” – the stiffness of the interaction potential – with respect to which the relative error...
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