Related papers: Screw dislocation in zirconium: An ab initio study
We study elementary semiconductors and insulators that are symmetric under spatial inversion: silicon, diamond, germanium, and black phosphorene. These materials are ideal candidates for realizing obstructed atomic insulators, which differ…
Refractory multi-principal element alloys (RMPEAs) have attracted growing interest for their exceptional high-temperature strength, yet their complex compositions hinder a mechanistic understanding of plastic deformation. Here, we perform…
In this work we study shock-induced plasticity in Mo single crystals, impacted along the <110> crystal orientation. In particular, the shear relaxation behind the shock front is quantitatively inspected. Molecular dynamics (MD) simulations…
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…
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…
A clear understanding of the dynamic behavior of metals is critical for developing superior structural materials as well as for improving material processing techniques such as cold spray and shot peening. Using a high velocity (from 120…
Dislocations in perovskite oxides have drawn increasing research interest due to their potential of tuning functional properties of electroceramics. Open questions remain regarding the behavior of dislocations concerning their stability…
Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…
We consider non-relativistic position-dependent mass (PDM) Schrodinger particles moving in an elastic medium with space-like screw dislocation. Within the cylindrical coordinates, we study and report the effects of screw dislocation as well…
In linearised continuum elasticity, the elastic strain due to a straight dislocation line decays as $O(r^{-1})$, where $r$ denotes the distance to the defect core. It is shown in Ehrlacher, Ortner, Shapeev (2016) that the core correction…
Plasticity of metals is the emergent phenomenon of many crystal defects (dislocations) which interact and move on microscopic time and length scales. Two of the commonly used models to describe such dislocation dynamics are the…
In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent)…
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 slip strength of individual slip systems at different strain rates will control the mechanical response and strongly influence the anisotropy of plastic deformation. In this work, the slip activity and strain rate sensitivity of the <a>…
Most of crystalline materials exhibit a hysteresis on their deformation curve when mechanically loaded in alternating directions. This Bauschinger effect is the signature of mechanisms existing at the atomic scale and controlling the…
A recent study demonstrated that granular crystals containing a single dislocation exhibit dislocation glide analogous to that observed in atomic-scale crystals, resulting in plastic deformation at yield stresses several orders of magnitude…
Micron-scale single crystalline materials deform plastically via large intermittent strain bursts that make the deformation process unpredictable. Here we investigate this stochastic phenomenon by analysing the plastic response of an…
In this paper, the origin of the threshold stress in pure 3 mol %-yttria tetragonal zirconia polycrystals (YTZP) is analysed in detail. At this regard, the two explanations reported in literature are discussed thoroughly. One of them…
We employ density-functional-theory calculations to analyze the interactions between oxygen interstitial atoms and <a>-type screw dislocations (<a> = a<11-20>/3 ) in alpha-titanium, based on investigations of generalized stacking fault…
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…