Related papers: PyDislocDyn: A Python code for calculating disloca…

The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMPS, an efficient and feature-rich program. (py)LIon has been…

This paper describes the algorithms, features and implementation of PyDEC, a Python library for computations related to the discretization of exterior calculus. PyDEC facilitates inquiry into both physical problems on manifolds as well as…

Due to recent successes of a statistical-based nonlocal continuum crystal plasticity theory for single-glide in explaining various aspects such as dislocation patterning and size-dependent plasticity, several attempts have been made to…

Crystal defects play a large role in how materials respond to their surroundings, yet there are many uncertainties in how extended defects form, move, and interact deep beneath a material's surface. A newly developed imaging diagnostic,…

In crystalline materials, the creation and modulation of dislocations are often associated with plastic deformation and energy dissipation. Here we report a study on the energy dissipation of a trilayer graphene ribbon resonator. The…

Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…

Micro-plasticity theories and models are suitable to explain and predict mechanical response of devices on length scales where the influence of the carrier of plastic deformation - the dislocations - cannot be neglected or completely…

A number of recent Molecular Dynamics (MD) simulations have demonstrated that screw dislocations in face centered cubic (fcc) metals can achieve stable steady state motion above the lowest shear wave speed ($v_\text{shear}$) which is…

Strain hardening is a key feature observed in many rocks deformed in the so-called ``semi-brittle'' regime, where both crystal plastic and brittle deformation mechanisms operate. Dislocation storage has long been recognised as a major…

Modeling dislocations is an inherently multiscale problem as one needs to simultaneously describe the high stress fields near the dislocation cores, which depend on atomistic length scales, and a surface boundary value problem which depends…

This work rigorously implements a recent model of large-strain elasto-plastic evolution in single crystals where the plastic flow is driven by the movement of discrete dislocation lines. The model is geometrically and elastically nonlinear,…

Three-dimensional discrete dislocation dynamics simulations are used to study strain-controlled plastic deformation of face-centered cubic aluminium single crystals. After describing the rate and size dependence of the average stress-strain…

PySymmPol is a Python package designed for efficient manipulation of symmetric polynomials. It provides functionalities for working with various types of symmetric polynomials, including elementary, homogeneous, monomial symmetric, (skew-)…

Dislocations are one-dimensional (1D) topological line defects where the lattice deviates from the perfect crystal structure. The presence of dislocations transcends condensed matter research and gives rise to a diverse range of emergent…

Information over the phonon band structure is crucial to predicting many thermodynamic properties of materials, such as thermal transport coefficients. Highly accurate phonon dispersion curves can be, in principle, calculated in the…

pydelay is a python library which translates a system of delay differential equations into C-code and simulates the code using scipy weave.

We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…

Dislocations in ceramics at room temperature are attracting increasing research interest. Dislocations may bring a new perspective for tuning physical and mechanical properties in advanced ceramics. Here, we investigate the dislocation…

A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy…

Materials are often heterogeneous at various length scales, with variations in grain structure, defects, and composition which has a strong influence on the emergent macroscopic plastic behavior. In particular, heterogeneities lead to…