Related papers: Continuum limits of atomistic energies allowing sm…
In equilibrium, the collective behaviour of particles interacting via steep, short-ranged potentials is well captured by the virial expansion of the free energy at low density. Here, we extend this approach beyond equilibrium to the case of…
In this paper, we deduce a macroscopic strain gradient theory for plasticity from a model of discrete dislocations. We restrict our analysis to the case of a cylindrical symmetry for the crystal in exam, so that the mathematical formulation…
We consider a non acoustic chain of harmonic oscillators with the dynamics perturbed by a random local exchange of momentum, such that energy and momentum are conserved. The macroscopic limits of the energy density, momentum and the…
We connect the theories of the deformation of elastic surfaces and phase surfaces arising in the description of almost periodic patterns. In particular, we show parallels between asymptotic expansions for the energy of elastic surfaces in…
We present a comprehensive a priori error analysis of a practical energy based atomistic/continuum coupling method (Shapeev, arXiv:1010.0512) in two dimensions, for finite-range pair-potential interactions, in the presence of vacancy…
We consider two models of deterministic active particles in an external potential. In the limit where the speed of a particle is fixed, both models coincide and can be formulated as a Hamiltonian system, but only if the potential is…
We start from a variational model for nematic elastomers that involves two energies: mechanical and nematic. The first one consists of a nonlinear elastic energy which is influenced by the orientation of the molecules of the nematic…
We prove strong crystallization results in two dimensions for an energy that arises in the theory of block copolymers. The energy is defined on sets of points and their weights, or equivalently on the set of atomic measures. It consists of…
We demonstrate that two-dimensional crystals made of active particles can experience extremely large spontaneous deformations without melting. Using particles mostly interacting via pairwise repulsive forces, we show that such active…
We formulate a large-strain model of single-slip crystal elastoplasticity in the framework of energetic solutions. Numerical performance of the model is compared with lab experiments on the compression of a stack of note papers.
We study a class of models for brittle fracture: elastic theory models which allow for cracks but not for plastic flow. We show that these models exhibit, at all finite temperatures, a transition to fracture under applied load similar to…
This is the second paper devoted to energetic rigidity, in which we apply our formalism to examples in two dimensions: underconstrained random regular spring networks, vertex models, and jammed packings of soft particles. Spring networks…
Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…
The mechanical properties of crystals on curved substrates mix elastic, geometric and topological degrees of freedom. In order to elucidate the properties of such crystals we formulate the low-energy effective action that combines metric…
We consider the low-energy particle-particle scattering properties in a periodic simple cubic crystal. In particular, we investigate the relation between the two-body scattering length and the energy shift experienced by the lowest-lying…
In this paper, we present a 2D numerical model developed to simulate the dynamics of soft, deformable particles. To accommodate significant particle deformations, the particle surface is represented as a narrow shell composed of mass points…
We discuss the roles of continuum linear elasticity and atomistic calculations in determining the formation volume and the strain energy of formation of a point defect in a crystal. Our considerations bear special relevance to defect…
We study various models of independent particles hopping between energy `traps' with a density of energy barriers $\rho(E)$, on a $d$ dimensional lattice or on a fully connected lattice. If $\rho(E)$ decays exponentially, a true dynamical…
The atomic cluster expansion (Drautz, Phys. Rev. B 99, 014104 (2019)) is extended in two ways, the modelling of vectorial and tensorial atomic properties and the inclusion of atomic degrees of freedom in addition to the positions of the…
Topological constraints have long been known to provide efficient mechanisms for localizing and storing energy across a range of length scales, from knots in DNA to turbulent plasmas. Despite recent theoretical and experimental progress on…