119 Results Found

Laser crystallization of a-Si film on insulating substrate is a promising technology to fabricate three-dimensional integrations (3D ICs), flat panel displays (FPDs), or flexible electronics, because the crystallization can be performed on room tempe...

Molecular dynamics simulations of cracked nanocrystals of aluminum were performed in order to investigate the crack length and grain boundary effects. Atomistic models of single-crystals and bi-crystals were built considering 11 different crack lengt...

Nickel-based single-crystal superalloy turbine blades have been widely used in engines of aircrafts or power plants, but some defect grains are often found on the surface of the blade after full heat treatment or even after casting. Rhenium-rich part...

Copper (Cu) doping is recognized as an effective strategy to enhance the electrochemical properties of LiNi1−x−yCoxMnyO2 (NCM) cathode materials. However, the influence of Cu2+ doping on particle size and grain boundary fusion remains ins...

CM247LC Ni-based components have been widely used in developing hot ends in aero-engines and gas industrial turbines, and these have exhibited promising directional solidification (DS) results. However, the superalloy CM247LC shows defects after addi...

Aluminum single crystal with 99.999% purity was deformed at room temperature by equal channel angular pressing (ECAP) up to 16 passes. Grain size and misorientation of processed samples were quantitatively characterized by TEM and EBSD. The results s...

Crystal plasticity finite element (CPFE) simulations were performed on the representative volume elements (RVE) modeling body centered cubic (bcc) single, bi- and tri-crystals. The RVE model was designed to include a void inside a grain, at a grain b...

The crack propagation mechanism of Al0.1CoCrFeNi high-entropy alloy (HEA) was investigated with the molecular dynamics method. The pre-crack propagation and stretching processes of single-crystal Al0.1CoCrFeNi HEA and Al0.1CoCrFeNi HEA with grain bou...

With the aid of 2D computer simulations, the whole colloidal crystallization process for particles interacting with a short-ranged attractive potential is described, emphazising the visualization of the different subprocesses at the particle level. S...

Reducing the local stress in the vicinity of the grain boundaries is a favorable way to improve the super-elastic properties of super-elastic alloys. The crystal plasticity finite element method (CPFEM) was applied in this study to simulate the defor...

A unique method was developed to significantly improve the strength of Bi(1−x)Sbx single crystals, the most effective thermoelectric (TE) materials in the temperature range from 100 to 200 K due to their plastic deformation by extrusion. After plasti...

Intergranular corrosion is the most common corrosion phenomenon in Fe-based alloys. To better understand the mechanism of intergranular corrosion, the influence of grain boundaries on Fe-H2O interfacial corrosion was studied using molecular dynamics...

The nanofriction of graphene is critical for its broad applications as a lubricant and in flexible electronics. Herein, using a Au substrate as an example, we have investigated the effect of the grain boundary on the nanofriction of graphene by means...

The fatigue fracture mechanism of a nickel-based single crystal (NBSC) superalloy with recrystallized grains was studied at 550 °C by in situ observation with a scanning electron microscope (SEM) for the first time. Multiple crack initiations ass...

The excellent properties of ultra-fine grained (UFG) materials are relevant to substantial grain refinement and the corresponding induced small grains delineated by high-angle grain boundaries. The present study aims to understand the grain refinemen...

The fatigue plastic mechanism and dislocation characteristics of engineering materials are the key to studying fatigue damage. In this study, the molecular dynamics (MD) method was employed to investigate the microstructural characteristics and fatig...

Molybdenum-Niobium (Mo-Nb) single crystals possess excellent mechanical properties, such as high strength and low creep rate at high temperatures, which leads to Mo-Nb single crystals’ potential application in the irradiated and aerospace envir...

Hydrogen embrittlement, which severely affects structural materials such as steel, comprises several mechanisms at the atomic level. One of them is hydrogen enhanced decohesion (HEDE), the phenomenon of H accumulation between cleavage planes, where i...

Cerium-based materials (CeO2−x) are of significant interest in the development of vacancy-modulated resistive switching (RS) memory devices. However, the influence of grain boundaries on the performance of memristors is very limited. To fill th...

Iron-chromium-aluminum (FeCrAl) alloys are used in automobile exhaust gas purifying systems and nuclear reactors due to its superior high-temperature oxidation and excellent corrosion resistance. Single-phase FeCrAl alloys with a body centered cubic...

A phase-field model for the precipitation of Fe-Cr-Al alloy is established incorporating grain boundary (GB) effects and irradiation-accelerated diffusion. The radiation source and grain boundary effect are incorporated to broaden the applicability o...

Directional heat treatment reduces the number of transverse grain boundaries in pure copper wires at suitable temperatures, thereby promoting the formation of columnar or even single-crystal structures. This process significantly enhances the electri...

Sn-rich solder joints in three-dimensional integrated circuits and their reliability issues, such as the electromigration (EM), thermomigration (TM), and thermomechanical fatigue (TMF), have drawn attention related to their use in electronic packagin...

This paper aims to understand the effect of local recrystallization (RX) on the low cycle fatigue fracture of a turbine-blade single crystal nickel-based superalloy. The fatigue life of the single crystal superalloy was evidently decreased by local r...

The grain selection process in a Z-form selector for Ni-based single-crystal superalloy was simulated using a macro-scale ProCAST software (2013 version) coupled CAFE module combined with an experiment to investigate the grain selection procedure and...

Sn-based halide perovskites are expected to be the best replacement for toxic lead-based counterparts, owing to their similar ionic radii and the optimal band gap for use in solar cells, as well as their versatile use in light-emitting diodes and pho...

The mechanical deformation of cellular structures in the selective laser melting (SLM) of aluminum was investigated by performing a series of molecular dynamics (MD) simulations of uniaxial tension tests. The effects of crystalline form, temperature,...

Based on electron backscattered diffraction analysis and transmission electron microscopy observation, the mechanism of inhomogeneous grain refinement in a NiTiFe shape memory alloy (SMA) subjected to single-pass equal-channel angular extrusion (ECAE...

Material anisotropy caused by crystal orientation is an essential factor affecting the mechanical and fracture properties of crystal materials. This paper proposes an improved ordinary state-based peridynamic (OSB-PD) model to study the effect of arb...

Various alloy compositions were cast as single crystals in a Bridgman vacuum induction furnace and creep tested at 980 °C: pure Ni, the equiatomic alloys CoCrNi and CrMnFeCoNi (Cantor alloy), single-phase fcc (Ni) solid solution alloys (with the comp...

Tungsten (W) can be used in plasma-facing components in a fusion reactor because of its excellent radiation resistance. Some studies have found that nanocrystalline metals with a high density of grain boundary show a higher ability to resist radiatio...

A multiscale computational model is developed for determining the elasto-plastic behavior of polycrystal metals by employing a single crystal plasticity constitutive model that can capture the microstructural scale stress field on a finite element an...

There is a growing interest in High Entropy Alloys (HEAs) due to their outstanding mechanical properties. Most simulation studies have focused on face-centered cubic (fcc) HEAs; however, bcc HEAs can offer a larger elastic modulus and plastic yieldin...

This paper presents the results of studying the phase composition, luminescent characteristics, and ionic conductivity of ceramic scandium-stabilized solid solutions of zirconium dioxide containing 9 and 10 mol% Sc2O3. Ceramic samples were prepared b...

In this work, molecular dynamics simulations of the nanoscratching of polycrystalline and singlecrystalline silicon substrates using a single-crystal diamond tool are conducted to investigate the grain size effect on the nanoscale wear process of pol...

Based on the monolayer growth mode of graphene sheets (2D crystal) by chemical vapor deposition (CVD) on a Cu surface, it should be possible to grow the 2D crystal embedded with single wall carbon nanocones (SWCNC) if nano-conical pits are pre-fabric...

Crystal plasticity finite element models have been extensively used to simulate various aspects of polycrystalline deformations. A common weakness of practically all models lies in a relatively large number of constitutive modeling parameters that, i...

The mechanical strengths of nano-scale individual crystal or nanopolycrystalline metals, and other dimensionally-related materials are increased by an order of magnitude or more as compared to those values measured at conventional crystal or polycrys...

The grain size effect is an important factor in determining the material removal behavior of polycrystalline silicon (p-Si). In the present study, to improve the understanding of nanoscale machining of p-Si, we performed molecular dynamics simulation...

Successive impingement of droplets after refining in supersonic plasma jet generally yields a submicron-sized lamellar coating with excellent comprehensive properties. Nevertheless, physical insight into the flattening and rapid solidification with c...

The Ohon Continuous Casting is the main method for preparing single crystal copper wire, and it is also the research hotspot at present, but it is difficult to directly cast ultrafine single crystal copper wire (diameter < 0.05 mm). The copper wir...

CaNb2O6 single crystals with an orthorhombic columbite structure are grown via an optical floating zone (OFZ) method. The as-grown crystals are colorless and free of low-angle grain boundaries and inclusions. They are transparent (up to 62%) in the v...

Owing to the differences in crystallographic orientations among individual grains, dislocation structures in polycrystals are inherently inhomogeneous from grain to grain. Since intergranular incompatibility is inevitable during plastic deformation,...

The Nonlinear Twist Extrusion (NLTE) method, a novel severe plastic deformation (SPD) technique, aims to enhance grain refinement and achieve a more uniform plastic strain distribution. Grain size and its uniform distribution strongly influence the p...

This paper considers the most important quality factors in processing spheroidal graphite cast iron; namely, primary grains and graphite nodules in thin-walled ductile iron castings (TWDI). In the present study, the effect of grain refinement (by mea...

Investigating the stability and evaluating the quality of the CH3NH3PbI3 perovskite structures is quite critical both to the design and fabrication of high-performance perovskite devices and to fundamental studies of the photophysics of the excitons....

Germanium films were grown on c-plane sapphire with a 10 nm AlAs buffer layer using molecular beam epitaxy. The effects of Ge film thickness on the surface morphology and crystal structure were investigated using ex situ characterization techniques....

The deformation mechanism and static recrystallization (SRX) behavior of an Ni-based single-crystal superalloy are investigated. Indentation tests were performed to investigate the effects of crystal orientation and external stress on SRX behavior. F...

Laser metal deposition is a promising way to repair the surface defects of single-crystal components in turbo engines. Understanding the mechanisms and improving the efficiency of the repair have been long-standing problems. In this study, the influe...

In this study, a spherical CrCoFeNiMn high-entropy alloy (HEA) powder with uniform size was prepared using gas atomization. High-quality CrCoFeNiMn HEA coatings were then applied to a 316L stainless steel substrate using prepowdered laser cladding. T...