相关论文: Impurity effects on the grain boundary cohesion in…
Faceted grain boundaries, where grain boundary area is increased in the name of producing low-energy segments, can exhibit new and unexpected migration trends. For example, several faceted $\Sigma$3 boundaries have demonstrated anti-thermal…
We explore the statistical properties of grain boundaries in the vortex polycrystalline phase of type II superconductors. Treating grain boundaries as arrays of dislocations interacting through linear elasticity, we show that…
We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces,…
Grain boundary self-diffusion of $^{57}$Co, $^{51}$Cr, $^{59}$Fe and $^{54}$Mn in a coarse-grained, single-phase fcc CoCrFeMnNi high entropy alloy is measured in a wide temperature range of 643 to 1273~K in both C- and B-type kinetic…
Stress enhanced self-diffusion of Copper on the $\Sigma$3 twin grain boundary was examined with molecular dynamics simulations. The presence of uniaxial tensile stress results in a significant reduction in activation energy for…
We discuss effects of various impurities on the magnetic susceptibility and the specific heat of the quantum S=1/2 Heisenberg antiferromagnet on a two-dimensional square lattice. For impurities with spin S_i > 0 (here S_i=1/2 in the case of…
In materials with strong local Coulomb interactions, simple defects such as atomic substitutions strongly affect both macroscopic and local properties of the system. A nonmagnetic impurity, for instance, is seen to induce magnetism nearby.…
We describe a molecular dynamics framework for the direct calculation of the short-ranged structural forces underlying grain-boundary premelting and grain-coalescence in solidification. The method is applied in a comparative study of (i) a…
We investigate the role of friction in compaction and segregation of granular materials by combining Edwards' thermodynamic hypothesis with a simple mechanical model and mean-field based geometrical calculations. Systems of single species…
We study the effect of the exchange interactions in small superconducting grains near the Coulomb blockade regime. We extend the standard description of the grain in terms of a single collective variable, the charge and its conjugated…
This study advances our understanding of how chemical binding and solute distribution impact grain boundary segregation behavior and subsequent annealing texture modification in lean Mg-X-Zn alloys (X = RE or Ca). Notably, differences in Ca…
Grain-boundary grooving is a general phenomenon occurring in all polycrystalline materials at the intersection between the grain-boundary and the interface or free surface. It has been studied theoretically for some time. Grain-boundary…
We examine the interaction between precipitates and grain boundaries, which undergo shear-coupled motion. The elastic problem, emerging from grain boundary perturbations and an elastic mismatch strain induced by the precipitates, is…
We investigate the influence of Kondo effect, namely, the nonperturbative effect induced by heavy impurities, on the chiral separation effect (CSE) in quark matter. We employ a simple effective model incorporating the Kondo condensate made…
We investigate the boundary effects that arise when spin-$\frac{1}{2}$ impurities interact with the edges of the antiferromagnetic spin-$\frac{1}{2}$ Heisenberg chain through spin exchange interactions. We consider both cases when the…
Impurities in crystalline materials introduce disorder into an otherwise ordered structure due to the formation of lattice defects and grain boundaries. The properties of the resulting polycrystal can differ remarkably from those of the…
Grain boundary energies in different elements are correlated. The proportional scaling constants relating the energies of crystallography-equivalent boundaries in any two f.c.c. elements are nearly constant, with the notable exception of…
Grain boundaries (GBs) can be used as traps for solute atoms and defects, and the interaction between segregants and GBs is crucial for understanding the properties of nanocrystalline materials. In this study, we have systematically…
The effect of slip transfer on the deformation mechanisms of Al bicrystals was explored using a rate-dependent dislocation-based crystal plasticity model. Three different types of grain boundaries (GBs) were included in the model by…
Effects of disorder on superconducting properties of noncentrosymmetric compounds are discussed. Elastic impurity scattering, even for scalar impurities, leads to a strongly anisotropic mixing of the electron states in the bands split by…