Abstract The effects of tool rake angle and cutting depth on temperature, force, friction coefficient face, atomic accumulation chip flow removal, surface quality, sub-surface damage layer thickness, stress, dislocation evolution were studied by molecular dynamics simulations. results showed that the temperature was concentrated chip, easy to out with increase angle, which weakens extrusion shearing action workpiece, resulting in gradual reduction tangential force. 10° is beneficial improve...

Amorphous-dominated magnesium oxide hollow spheres (A-MgO) were prepared using a spray-drying method in this study. These exhibited excellent sphericity, large specific surface areas, and abundant porosity. A-MgO outstanding fluoride adsorption properties, with maximum capacity of 260.4 mg/g. When the pH value was less than 8, removal percentage remained more 87.4%. Moreover, above 75% even after five application cycles. In addition, research revealed that SO42-, CO32-, PO43- exerted...

The objective of this study is to propose a photocatalysis-assisted chemical mechanical polishing (PCMP) method for atomic smoothing SiC wafer based on the powerful oxidability UV photo-excited hydroxyl radical nano-TiO2 particles. identifies five slurries different photocatalyst, electron capturer, light, and pH value by measuring oxidation reduction potential static experiment. After PCMP process, examined with optical microscopy, force X-ray photoelectron spectroscopy information surface...

Accurately identifying protein functions is essential to understand life mechanisms and thus advance drug discovery. Although biochemical experiments are the gold standard for determining functions, they often time-consuming labor-intensive. Here, we proposed a novel composite deep-learning method, MKFGO, infer Gene Ontology (GO) attributes through integrating five complementary pipelines built on multi-source biological data. MKFGO was rigorously benchmarked 1522 non-redundant proteins,...

Abstract Single-crystal SiC has been widely applied for electronic devices. Photocatalysis assisted chemical mechanical polishing (PCMP) is an efficient global flattening technology finishing SiC, but the atomic level removal mechanism still under discussion. In this paper, behavior of with hydroxyl free radical (·OH) aqueous solution was investigated using ReaxFF molecular dynamics (MD) simulation. The theoretical analysis shows that ·OH oxidation can occur spontaneously, and would be able...

Abstract The effects of cutting crystal direction and speed on edge morphology, defects electron transport characteristics were studied by molecular dynamics from the distribution state defect atoms, number force radial function. zigzag graphene nanoribbons extracted, difficulty forming different kinds influence band gap density functional theory. results indicate that along [010] (zigzag) has a smaller variance smoother cutting. obtained have fewer good quality. And higher speed, formed,...

Abstract Five micro-textures were processed on the rake face of PCBN tools: circular pits, elliptical grooves, transverse composite and wavy grooves. The effect different cutting force, temperature, micro-morphology serrated chips, tool wear surface roughness investigated utilizing three-dimensional finite element simulation tests. results indicates that micro-textured tools can lower force when compared to non-textured tools, while varies significantly during process. Micro-texture decrease...

Abstract In order to achieve precise and controllable cutting of graphene meet the high quality edges required in electronics. this study, tangential force, radial distribution function, dangling bonds, oxidation density functional theory were used investigate mechanical behaviour, damage, microscopic mechanism chemical reactions, feasibility elementary reactions nano with different solution environments. The results show that difference number broken interfacial dominated by variability...

Single-crystal silicon carbide, as one of the most promising next-generation semiconductor materials, should be polished with atomically smooth and damage-free surface to meet requirements applications. The research presented in this paper aims develop an electrical enhanced photocatalysis polishing method for atomic smoothing Si-face (0001) 4H-SiC wafer based on powerful oxidability UV photo-excited hydroxyl radical nano particles. identifies influences photocatalyst, electron capturer,...

Single-crystal SiC has become the third-generation semiconductor material with most development potential due to its many outstanding physical and chemical properties, but excellent surface quality is prerequisite for application. Therefore, atomic mechanism of mechanical mutual promotion in hydroxyl radical ·OH aqueous was researched through reactive molecular dynamics simulation obtaining nano-smoothed photocatalysis-assisted polishing (PCMP). The behavior nanoparticles promoting reaction...

Abstract To investigate the tensile behavior and mechanical properties of single-crystal aluminum nitride (AlN) at microscopic level, molecular dynamics simulations were used to study effects crystal orientation, strain rate, environmental temperature, hole defect size on fracture strength, mechanism, potential energy during uniaxial tensile. The results show that strength AlN in [100] direction is stronger. anisotropic characteristics Al-N bonds crack growth cracking degree are significant...

In order to achieve the controllability of abrasive arrangement on working surface grinding wheel,a new kind superabrasive wheel, which has defined grain cluster pattern, been designed based phyllotaxis theory biology, and fabricated with UV lithography method electroplating technology. The analytical results indicate that phyllotactic parameters influence configuration work so as improve performance increasing diameter decreasing coefficient can increases density surperabrasive wheel...

Abstract In order to reveal the friction behaviour and wear mechanism of nanoscale textures on pair 304 stainless steel, molecular dynamics simulations were firstly used investigate effects smooth textured surfaces tribological properties steel substrate, then focus sliding velocity depth surface morphology, mechanical force, coefficient, anisotropy, stress, temperature dislocations substrate. The results show that temperature, friction, dislocation line length are relatively smaller than...