Symmetries of 2-lattices and second order accuracy of the Cauchy--Born Model

Details Symmetries of 2-lattices and second order accuracy of the Cauchy--Born Model Symmetries of 2-lattices and second order accuracy of the Cauchy--Born Model

2012-03-27

arxiv.org/abs/1203.5854v1

Mathematics

Numerical Analysis

Scientific paper

We show that the Cauchy--Born model of a single-species 2-lattice is second order if the atomistic and continuum kinematics are connected in a novel way. Our proof uses a generalization to 2-lattices of the point symmetry of Bravais lattices. Moreover, by identifying similar symmetries in multi-species pair interaction models, we construct a new stored energy density, using shift-gradients but not strain gradients, that is also second order accurate. These results can be used to develop highly accurate continuum models and atomistic/continuum coupling methods for materials such as graphene, hcp metals, and shape memory alloys.

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