相关论文: First-principles data for solid-solution strengthe…

Multicomponent nitrides are a hot research topic in the search of hard coatings. The effect of substitutions on the phase stabilities, magnetic, and elastic properties of $Al_{1-x-y}Cr_{x}Ti_{y}N$ $(0\leq x,y\leq1)$ was studied using first…

First principles calculations based on density functional theory, with generalised gradient corrections and ultrasoft pseudopotentials, have been used to simulate solid and liquid aluminium in direct coexistence at zero pressure.…

We further develop a recently introduced phase-field model of rapid alloy solidification [Ji et al., PRL 2023]. This model utilizes enhanced solute diffusivity within the spatially diffuse interface region to quantitatively capture solute…

We present a new theoretical model for the analytical prediction of the metal pad roll instability in idealised aluminium reduction cells consisting of two stably stratified liquid layers, which carry a vertical electric current and are…

The mechanical properties are essential for structural materials. The analyzed 360 data on four mechanical properties of steels, viz. fatigue strength, tensile strength, fracture strength, and hardness, are selected from the NIMS database,…

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Compared to cubic metals, whose primary slip mode includes twelve equivalent systems, the lower crystalline symmetry of hexagonal close-packed metals results in a reduced number of equivalent primary slips and anisotropy in plasticity,…

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.…

Soft yet tough materials are ubiquitous in nature and everyday life. The ratio between fracture toughness and intrinsic fracture energy of a soft material defines its toughness enhancement. Soft materials' toughness enhancement has been…

The capabilities of additive manufacturing have facilitated the design and production of mechanical metamaterials with diverse unit cell geometries. Establishing linkages between the vast design space of unit cells and their effective…

The transition to a low-carbon economy demands efficient and sustainable energy-storage solutions, with hydrogen emerging as a promising clean-energy carrier and with metal hydrides recognized for their hydrogen-storage capacity. Here, we…

First-principles alloy theory, formulated within the exact muffin-tin orbitals method in combination with the coherent-potential approximation, is used to study the mechanical properties of ferromagnetic body-centered cubic (bcc)…

Precipitation of fine particles into the base material of a metal is a potent strengthening mechanism. This is numerically analyzed within a continuum framework based on a higher order strain gradient plasticity theory and by use of an…

The dynamic behavior of metals is governed by collective dislocation motion and interactions that strongly depend on the applied strain rate. Metals exhibit weak strain rate sensitivity (SRS) below a certain threshold, followed by a…

Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another materials design concept. Hexagonal-type structures based on…

In this work, we investigate the magnetic structures of $(Fe_{1-x}Mn_x)_2AlB_2$ solid-solution quaternaries in the $x = 0$ to $1$ range using x-ray and neutron diffraction, magnetization measurements, and mean-field theory calculations.…

We use first-principles density functional theory to study the generalized stacking fault energy surfaces for pyramidal-I and pyramidal-II slip systems in Mg. We demonstrate that the additional relaxation of atomic motions normal to the…

Modern advances in generating ultrabright electron beams have unlocked unprecedented experimental advances based on synchrotron radiation. Current challenges lie in improving the quality of electron sources with novel photocathode materials…

One of the main material properties altered by rare earth additions in magnesium alloys is texture, which can be specifically adjusted to enhance ductility and formability. The current study aims at illuminating the texture selection…

The cyclic deformation behavior of extruded Mg-8.5wt.%Al alloy with a conventional extrusion texture and a modified texture is systematically investigated by in-situ neutron diffraction and elastic viscoplastic self-consistent (EVPSC)…