Related papers: Phase Field Crystal Modeling as a Unified Atomisti…
We present a thermodynamic description of crystal plasticity. Our formulation is based on the Langer-Bouchbinder-Lookman thermodynamic dislocation theory (TDT), which asserts the fundamental importance of an effective temperature that…
Crystal defects are often rationalized through broken-bond counting via the nearest neighbor coordination number. In this work, we highlight that this perspective overlooks intrinsic heterogeneities in interatomic spacing that decisively…
Understanding the nature of brittle failure in ferroelectric materials is essential, but difficult due to the complex interaction between mechanical and electrical concentrated fields near the crack tip. In this work, an extended…
Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…
We present thermodynamic relationships between the free energy of the phase-field crystal (PFC) model and thermodynamic state variables for bulk phases under hydrostatic pressure. This relationship is derived based on the thermodynamic…
Variational phase-field models of fracture are widely used to simulate nucleation and propagation of cracks in brittle materials. They are based on the approximation of the solutions of free-discontinuity fracture energy by two smooth…
We show the emergence of Floquet time crystal (FTC) phases in the Floquet dynamics of periodically driven $p$-spin models, which describe a collection of spin-1/2 particles with all-to-all $p$-body interactions. Given the mean-field nature…
Understanding and controlling the properties and dynamics of topological defects is a lasting challenge in the study of two-dimensional materials, and is crucial to achieve high-quality films required for technological applications. Here…
Discrete models of dislocations in cubic crystal lattices having one or two atoms per unit cell are proposed. These models have the standard linear anisotropic elasticity as their continuum limit and their main ingredients are the elastic…
We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…
Two-dimensional simulations of the coarsening process of the isotropic/smectic-A phase transition are presented using a high-order Landau-de Gennes type free energy model. Defect annihilation laws for smectic disclinations, elementary…
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…
Strongly anisotropic geomaterials undergo fracture under compressive loading. This paper applies a phase-field fracture model to study this fracture process. While phase-field fracture models have several advantages, they provide unphysical…
Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…
The Swift-Hohenberg (SH) and Phase-Field Crystal (PFC) models are minimal yet powerful approaches for studying phenomena such as pattern formation, collective order, and defects via smooth order parameters. They are based on a free-energy…
Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order parameter of the morphology is defined as the exponent,…
Phononic crystals (PnCs) are periodic engineered media that can customize the spatio-temporal characteristics of mechanical energy propagation. PnCs that additionally leverage precisely embedded defects can achieve robust energy…
Pairs of atomic scale terraces on a single crystal metal surface can be made to merge controllably under suitable conditions to yield steps of double height and width. We study the effect of various physical parameters on the formation of…
Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…
A mathematical model of plastic deformation in face-centered cubic (FCC) materials based on a balance model taking into account fundamental properties of deformation defects of a crystal lattice was developed. This model is based on a…