Atomistic-to-continuum (a/c) coupling methods are a class of computational multiscale
schemes that combine the accuracy of atomistic models with the efficiency of continuum …

This work gives an overview of the theoretical background and of the numerical modelling
framework used to describe the mechanical properties and the response of materials on …

Lattice models and discrete networks naturally describe mechanical phenomena at the
mesoscale of fibrous materials. A disadvantage of lattice models is their computational cost …

The quasicontinuum (QC) method coarse-grains crystalline atomic ensembles in order to
bridge the scales from individual atoms to the micro-and mesoscales. A crucial cornerstone …

For a next-nearest neighbour pair interaction model in a periodic domain, a priori and a
posteriori analyses of the quasinonlocal quasicontinuum method (QNL-QC) are presented …

We present a new variant of the geometry reconstruction approach for the formulation of
atomistic/continuum coupling methods (a/c methods). For many-body nearest-neighbor …

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 …

The quasicontinuum (QC) method has become a popular technique to bridge the gap
between atomistic and continuum length scales in crystalline solids. In contrast to many …

Multiscale modeling aims to solve problems at the engineering (macro) scale while
considering the complexity of the microstructure with minimum cost. Generally, two scales …

Dislocations and heat conduction are essential components that influence properties and
performance of crystalline materials, yet the modelling of which remains challenging partly …