Related papers: Revealing the dynamic responses of Pb under shock …
Multi-component metal nanoparticles (NPs) are of paramount importance in the chemical industry, as most processes therein employ heterogeneous catalysts. While these multi-component systems have been shown to result in higher product…
It is well known that diamond does not deform plastically at room temperature and usually fails in catastrophic brittle fracture. Here we demonstrate room-temperature dislocation plasticity in sub-micrometer sized diamond pillars by in-situ…
Recent theoretical works exploring the hydrodynamics of soft material in non-equilibrium situations are reviewed. We discuss the role of hydrodynamic interactions for three different systems: i) the deformation and orientation of…
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.…
Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…
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…
Peridynamic (PD) theories have gained widespread diffusion among various research areas, due to the ability of modeling discontinuities formation and evolution in materials. Bond-Based Peridynamics (BB-PD), notwithstanding some modeling…
Plastic work partitioning was investigated in extruded AZ31B magnesium alloy under loading orientations promoting slip- or twinning-dominated deformation. Slip-dominated deformation exhibits stable plastic flow with approximately 50$\%$ of…
Metallic materials undergo irreversible deformation under mechanical loading, leading to intense local plastic localization that reduces their mechanical performance. We identify a new mechanism of plastic deformation localization that…
It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotation-variant local structure representation that enables different predictions for different…
Snap-buckling is a rapid shape transition in slender structures, appearing as a fundamental switching mechanism of natural and man-made systems. Boundary conditions of structures are crucial to predict and control their snap-buckling…
We develop a neuroevolution-potential (NEP) framework for generating neural network based machine-learning potentials. They are trained using an evolutionary strategy for performing large-scale molecular dynamics (MD) simulations. A…
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…
Magnesium and its alloys are the most investigated materials for solid-state hydrogen storage in the form of metal hydrides, but there are still unresolved problems with the kinetics and thermodynamics of hydrogenation and dehydrogenation…
Nickel titanium (NiTi) is a protypical shape-memory alloy used in a range of biomedical and engineering devices, but direct molecular dynamics simulations of the martensitic B19' -> B2 phase transition driving its shape-memory behavior are…
Accurately predicting deformable linear object (DLO) dynamics is challenging, especially when the task requires a model that is both human-interpretable and computationally efficient. In this work, we draw inspiration from the pseudo-rigid…
Lead-free halide double perovskites are promising alternatives to Pb-based semiconductors, but their discovery is challenging because structural formability, thermodynamic stability, band-gap placement, optical-transition strength,…
We study the nonlinear driven response and sliding friction behavior of the phase-field-crystal (PFC) model with pinning including both thermal fluctuations and inertial effects. The model provides a continuous description of adsorbed…
Machine-learning interatomic potentials (MLIPs) offer a powerful avenue for simulations beyond length and timescales of ab initio methods. Their development for investigation of mechanical properties and fracture, however, is far from…
Basal-plane dislocations (BPDs) pose a great challenge to the reliability of bipolar power devices based on the 4H silicon carbide (4H-SiC). It is well established that heavy nitrogen (N) doping promotes the conversion of BPDs to threading…