Related papers: Interdependent linear complexion structure and dis…
Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…
The structure and mobility of dislocations in the layered semiconductor InSe is studied within a multiscale approach based on generalized Peierls--Nabarro model with material-specific parametrization derived from first principles. The…
We use shear reversal simulations to explore the rheology of dense, non-Brownian suspensions, resolving lubrication forces between neighbouring particles and modelling particle surface contacts. The transient stress response to an abrupt…
We elucidated the core structure of screw dislocations in ordered B2 FeCo using a recent magnetic bond-order potential (BOP) [Egorov et al., Phys. Rev. Mater. 7, 044403 (2023)]. We corroborated that dislocations in B2 FeCo exist in pairs…
We present the results of large scale molecular dynamics simulations aimed at understanding the origins of high friction coefficients in pure metals, and their concomitant reduction in alloys and composites. We utilize a series of targeted…
The present work examines the effect of alloying elements (denoted X) on the ideal shear strength for 26 dilute Ni-based alloys, Ni$_{11}$X, as determined by first-principles calculations of pure alias shear deformations. The variations in…
The formation of topological spin textures at the nanoscale has a significant impact on the long-range order and dynamical response of magnetic materials. We study the relaxation mechanisms at the conical-to-helical phase transition in the…
The technique of distributed dislocations proved to be in the past an effective approach in studying crack problems within classical elasticity. The present work is intended to extend this technique in studying crack problems within…
Intricate fluid displacement patterns, arising from the unstable growth of interfacial perturbations, can be driven by fluid viscoelasticity and surface tension. A soft glassy suspension ages, $i.e.$ its mechanical moduli evolve with time,…
Platelet array linear complexions have been predicted in Al-Cu, with notable features being dislocation faceting and climb into the precipitate, both of which should impact plasticity. In this study, we examine the strain rate dependence of…
Employing density-functional theory (DFT) calculations, the generalized-stacking-fault energy (GSFE) curves along two crystallographic slips, glide and shuffle, for both pristine graphene and impurity of boron (B) or nitrogen (N) doped…
Important physical observations in rupture dynamics such as static fault friction, short-slip, self-healing, and supershear phenomenon in cracks are studied. A continuum model of rupture dynamics is developed using the field dislocation…
Charge transfer in concentrated alloys governs their structural stability and functional response, and can be strongly perturbed by lattice defects. In high-entropy alloys, the interaction between edge dislocations and volume misfit plays a…
Internal friction study of dislocation dynamics in thermally aged Fe-1%Cu-C alloys.
Irradiation-induced ductility loss is a major concern facing structural steels in next-generation nuclear reactors. Currently, the mechanisms for this are unclear but crucial to address for the design of reactor components. Here, the…
Shear thinning in dense non-Brownian suspensions is often attributed to shear-induced microstructural evolution, including changes in alignment, anisotropy, and near-contact statistics, yet how these changes influence particle-scale…
We report about a combined structural and magnetometric characterization of self-assembled magnetic nanoparticle arrays. Monodisperse iron oxide nanoparticles with a diameter of 20 nm were synthesized by thermal decomposition. The…
Slip transmission across $\alpha-\beta$ interfaces is of great significance in understanding the strength of $\alpha-\beta$ Ti alloys for aerospace applications. Molecular statics (MS) and molecular dynamics (MD) simulations were conducted…
Elucidating the interplay of defect and stress at the microscopic level is a fundamental physical problem that has strong connection with materials science. Here, based on the two-dimensional crystal model, we show that the instability mode…
Under application of an electric field greater than a triggering electric field $E_c \sim 0.4$ kV/mm, suspensions obtained by dispersing particles of the synthetic clay fluoro-hectorite in a silicon oil, aggregate into chain- and/or…