Related papers: Simulation of Stochastic Discrete Dislocation Dyna…
We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated…
Metastable condensed matter typically fluctuates about local energy minima at the femtosecond time scale before transitioning between local minima after nanoseconds or microseconds. This vast scale separation limits the applicability of…
In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…
The movement of subaqueous sediment in laminar shearing flow is numerically investigated by the coupled lattice Boltzmann and discrete element methods. First, the numerical method is validated by comparing the phase diagram proposed by…
Dislocations, as topological defects in crystal lattices, are fundamental to understanding plasticity in materials. Similar periodic structures also arise in continuum field theories, such as chiral soliton lattices (CSLs), which appear in…
Discrete dislocation plasticity (DDP) calculations are carried out to investigate the response of a single crystal contacted by a rigid sinusoidal asperity under sliding loading conditions to look for causes of microstructure change in the…
The processing of thin-structured materials in a fluidic environment, from nearly inextensible but flexible graphene sheets to highly extensible polymer films, arises in many applications. So far, little is known about the dynamics of such…
Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…
The transport of an infinitely thin, hard rod in a random, dense array of point obstacles is investigated by molecular dynamics simulations. Our model mimics the sterically hindered dynamics in dense needle liquids. The center-of-mass…
Conventional discrete-to-continuum approaches have seen their limitation in describing the collective behaviour of the multi-polar configurations of dislocations, which are widely observed in crystalline materials. The reason is that…
The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms…
The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…
Highly-deformable materials, from synthetic hydrogels to biological tissues, are becoming increasingly important from both fundamental and practical perspectives. Their mechanical behaviors, in particular the dynamics of crack propagation…
In small volumes, sample dimensions are known to strongly influence mechanical behavior, especially strength and crystal plasticity. This correlation fades away at the so-called mesoscale, loosely defined at several micrometers in both…
In seeking to understand at a microscopic level the response of dislocations to stress we have undertaken to study as completely as possible the simplest case: a single dislocation in a two dimensional crystal. The intention is that results…
As 2D materials such as graphene, transition metal dichalcogenides, and 2D polymers become more prevalent, solution processing and colloidal-state properties are being exploited to create advanced and functional materials. However, our…
Fundamental understanding of the effect of microscopic parameters on the dynamics of probe particles in different complex environments has wide implications. Examples include diffusion of proteins in the biological hydrogels, porous media,…
Brittle-ductile transition (BDT) is an important characteristic of amorphous (and semicrystalline) polymers. For a given strain rate, at temperatures above BDT, the polymers exhibit strain softening followed by yield and strain hardening,…
Nanoscale precipitates in the microstructure of nickel-based superalloys hinder dislocation motion, which results in an extraordinary strengthening effect at elevated temperatures. We used molecular dynamics (MD) with classical effective…
This work presents a finite element method for simulating dynamic processes that involve the coupled evolution of dislocation motion and crack propagation. The method numerically solves the Concurrent Atomistic-Continuum (CAC) formulation…