Related papers: Long range order in atomistic models for solids
Systems with global symmetry group O(2) experience topological transition in the 2-dimensional space. But there is controversy about such a transition for systems with global symmetry group O(3). In this paper, we study the Lebwohl-Lasher…
We consider a model for dislocations in crystals introduced by Koslowski, Cuiti\~no and Ortiz, which includes elastic interactions via a singular kernel behaving as the $H^{1/2}$ norm of the slip. We obtain a sharp-interface limit of the…
Mesoscale objects with unusual structural features may serve as the analogues of atoms in the design of larger-scale materials with novel optical, electronic or mechanical behaviour. In this paper we investigate the structural features and…
We characterize the disorder induced localization in momentum space for ultracold atoms in one-dimensional incommensurate lattices, according to the dual Aubry-Andr\'e model. For low disorder the system is localized in momentum space, and…
The purely plaquette 3d Ising Hamiltonian with the spins living at the vertices of a cubic lattice displays several interesting features. The symmetries of the model lead to a macroscopic degeneracy of the low-temperature phase and prevent…
Dislocation and grain boundary melting are studied in three dimensions using the Phase Field Crystal method. Isolated dislocations are found to melt radially outward from their core, as the localized excess elastic energy drives a power law…
We present molecular simulation data for viscosity, self-diffusivity, and the local structural ordering of (i) a hard-sphere fluid and (ii) a square-well fluid with short-range attractions. The latter fluid exhibits a region of dynamic…
The fundamental interactions between an edge dislocation and a random solid solution are studied by analyzing dislocation line roughness profiles obtained from molecular dynamics simulations of Fe0.70Ni0.11 Cr0.19 over a range of stresses…
We study the triangular lattice Ising model with a finite number of vertically stacked layers and demonstrate a low temperature reentrance of two Berezinskii-Kosterlitz-Thouless transitions, which results in an extended disordered regime…
The statistical thermodynamics of straight rigid rods of length $k$ on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the…
We consider the elastic theory for Ising transitions in an isotropic elastic medium in the zero thermal expansion (ZTE) limit. We use this theory to study the nature of the fluctuations in the system near the second phase transitions at…
Machine learning algorithms thrive on large data sets of good quality. Here we show that they can also excel in a typical research setting with little data of limited quality, through an interplay of insights coming from machine, and human…
In this paper, a strain-gradient plasticity model is derived from a mesoscopic model for straight parallel edge dislocations in an infinite cylindrical crystal. The main difference to existing work is that in this work the well-separateness…
The interplay between disorder, quantum fluctuations and dissipation is studied in the random transverse Ising chain coupled to a dissipative Ohmic bath with a real space renormalization group. A typically very large length scale, L*, is…
A three-dimensional continuum dislocation theory for single crystals containing curved dislocations is proposed. A set of governing equations and boundary conditions is derived for the true placement, plastic slips, and loop functions in…
We present a higher-order boundary condition for atomistic simulations of dislocations that address the slow convergence of standard supercell methods. The method is based on a multipole expansion of the equilibrium displacement, combining…
The occurrence of quasi-long-range positional order in the ground-state of the one-dimensional repulsive Calogero-Sutherland model is studied. By mapping the exact ground-state into a one dimensional classical system of interacting…
Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…
The nature of mechanically induced dislocations in SrTiO3 at low temperatures has been a disputed matter for a long time. Here we provide a systematic overview of the existing knowledge on dislocations in stoichiometric SrTiO3 complemented…
This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…