Junqin Shi
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View article: Atomic-scale insights into two-stage nucleation and microstructure evolution in cobalt solidification
Atomic-scale insights into two-stage nucleation and microstructure evolution in cobalt solidification Open
View article: Sliding multiple polarization states and controllable anomalous Hall conductivity in bilayer MnSb2Se4 with Mn–Sb antisites
Sliding multiple polarization states and controllable anomalous Hall conductivity in bilayer MnSb2Se4 with Mn–Sb antisites Open
Two-dimensional van der Waals materials hold significant promise for miniaturized, multifunctional, and high-performance electronic devices. The discovery of sliding ferroelectricity further enhances their potential applications. Currently…
View article: Unlocking anisotropic plasticity in γ-TiAl with an atomic scale simulation: From metastable BCC states to hierarchical twinning
Unlocking anisotropic plasticity in γ-TiAl with an atomic scale simulation: From metastable BCC states to hierarchical twinning Open
View article: $$\widehat{P}\widehat{{T}}$$ symmetry controlled magnetic order switching
$$\widehat{P}\widehat{{T}}$$ symmetry controlled magnetic order switching Open
Precise electric control of magnetic order and anomalous Hall conductivity (AHC) is pivotal for spintronics. While electric-field control of magnetic order and AHC has been explored in magneto-electric materials, achieving precise and ener…
View article: Simulation Study of Natural Gas Charging and Gas–Water Occurrence Mechanisms in Ultra-High-Pressure and Low-Permeability Reservoirs
Simulation Study of Natural Gas Charging and Gas–Water Occurrence Mechanisms in Ultra-High-Pressure and Low-Permeability Reservoirs Open
High-pressure low-permeability gas reservoirs have a complex gas–water distribution, a lack of a unified gas–water interface, and widespread water intrusion in localized high areas, which seriously constrain sweet spot prediction and devel…
View article: Synthesis of Trifluoropropyl Vinyl Siloxanes for Anti-Adhesive Coatings with Ultra-Low Surface Adhesion
Synthesis of Trifluoropropyl Vinyl Siloxanes for Anti-Adhesive Coatings with Ultra-Low Surface Adhesion Open
View article: Unveiling Tribological Mechanisms of MoS2 Coatings on FeNiCr Alloys via Molecular Dynamics and Machine Learning
Unveiling Tribological Mechanisms of MoS2 Coatings on FeNiCr Alloys via Molecular Dynamics and Machine Learning Open
View article: Friction on the Surface of Multilayer Alternately Stacked Graphene and H-Bn: A Molecular Dynamics Study
Friction on the Surface of Multilayer Alternately Stacked Graphene and H-Bn: A Molecular Dynamics Study Open
View article: Molecularly Engineered Trihydric Alcohols Enable Robust Macroscale Superlubricity on Chemically Graded Interfaces Via Solid-Like Hydrogen-Bond Networks and Wall Slip
Molecularly Engineered Trihydric Alcohols Enable Robust Macroscale Superlubricity on Chemically Graded Interfaces Via Solid-Like Hydrogen-Bond Networks and Wall Slip Open
View article: Friction at the homogenous and heterogenous interfaces of penta–graphene and B <sub>2</sub>N <sub>4</sub>
Friction at the homogenous and heterogenous interfaces of penta–graphene and B <sub>2</sub>N <sub>4</sub> Open
This study is to examine the effectiveness of the two ways forming the incommensurate contacts on reducing friction. Two dimensional (2D) penta–graphene (PG) and B2N4 possessing the same lattice structure and excellent lubricating property…
View article: Plastic evolution and phase transition mechanisms in γ-TiAl nano polycrystal by a molecular dynamics simulation
Plastic evolution and phase transition mechanisms in γ-TiAl nano polycrystal by a molecular dynamics simulation Open
γ-TiAl based alloys are widely regarded as one important high-temperature structural material, however the deformation behaviors are still not clearly clarified. The microscopic plastic deformation and phase transition of γ-TiAl nano polyc…
View article: Structural superlubricity at homogenous interface of penta-graphene
Structural superlubricity at homogenous interface of penta-graphene Open
Two-dimensional (2D) van der Waals layered materials have been widely used as lubricant. Penta-graphene (PG), a 2D carbon allotrope exclusively composed of irregular carbon pentagons has recently been predicted to have superlubricating pro…
View article: Temperature-induced structure evolution in CoxBy liquids studied by ab initio molecular dynamics simulation
Temperature-induced structure evolution in CoxBy liquids studied by ab initio molecular dynamics simulation Open
The relationship between the local structures and the thermodynamic properties of metallic liquids has been a fundamental issue, which significantly impacts the comprehensive performances of metallic materials. The temperature-induced stru…
View article: Interlayer ferroelectric polarization modulated anomalous Hall effects in four-layer MnBi2Te4 antiferromagnets
Interlayer ferroelectric polarization modulated anomalous Hall effects in four-layer MnBi2Te4 antiferromagnets Open
Van der Waals (vdW) assembly could efficiently modulate the symmetry of two-dimensional (2D) materials that ultimately governs their physical properties. Of particular interest is the ferroelectric polarization being introduced by proper v…
View article: Boundary slip and lubrication mechanisms of organic friction modifiers with effect of surface moisture
Boundary slip and lubrication mechanisms of organic friction modifiers with effect of surface moisture Open
Surface moisture or humidity impacting the lubrication property is a ubiquitous phenomenon in tribological systems, which is demonstrated by a combination of molecular dynamics (MD) simulation and experiment for the organic friction modifi…
View article: Molecular Dynamics Simulation and Test Characterization of Metal Migration Behavior in Antimony-Impregnated Graphite
Molecular Dynamics Simulation and Test Characterization of Metal Migration Behavior in Antimony-Impregnated Graphite Open
View article: Domain Features-Informed Two-Step Machine Learning: Accelerate the Searching for Superlubric Heterostructures
Domain Features-Informed Two-Step Machine Learning: Accelerate the Searching for Superlubric Heterostructures Open
View article: Intrinsic multiferroic semiconductors with magnetoelastic coupling: two-dimensional MoTe<i>X</i> (<i>X</i> = F, Cl, Br, I) monolayers
Intrinsic multiferroic semiconductors with magnetoelastic coupling: two-dimensional MoTe<i>X</i> (<i>X</i> = F, Cl, Br, I) monolayers Open
Two-dimensional materials with both ferromagnetism and ferroelasticity present new possibilities for developing spintronics and multifunctional devices. These materials provide a novel method for controlling the direction of the magnetizat…
View article: Author Correction: Corrosion-resistant cobalt phosphide electrocatalysts for salinity tolerance hydrogen evolution
Author Correction: Corrosion-resistant cobalt phosphide electrocatalysts for salinity tolerance hydrogen evolution Open
View article: Corrosion-resistant cobalt phosphide electrocatalysts for salinity tolerance hydrogen evolution
Corrosion-resistant cobalt phosphide electrocatalysts for salinity tolerance hydrogen evolution Open
Seawater electrolysis is a viable method for producing hydrogen on a large scale and low-cost. However, the catalyst activity during the seawater splitting process will dramatically degrade as salt concentrations increasing. Herein, CoP is…
View article: Effect of a water film on the material removal behavior of Invar during chemical mechanical polishing
Effect of a water film on the material removal behavior of Invar during chemical mechanical polishing Open
Understanding polishing mechanisms in water-lubricated environments has an important guiding value for surface engineering of precision devices. This work reveals the chemical mechanical polishing (CMP) mechanism of the Invar alloy under w…
View article: Research and Application of Fault Handling Technology of Multiple Information Knowledge Atlas
Research and Application of Fault Handling Technology of Multiple Information Knowledge Atlas Open
The computer technician in order to faster to solve the data mining, information processing,
data sorting, summary such as content, by adopting multivariate information knowledge
mapping technology, effectively improve the efficiency o…
View article: CCDC 2153478: Experimental Crystal Structure Determination
CCDC 2153478: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Zwitterionic Dopamine Sulfonate Functionalized Carbon Quantum Dots as Water-Based Lubricant Additive for Friction and Wear Reduction
Zwitterionic Dopamine Sulfonate Functionalized Carbon Quantum Dots as Water-Based Lubricant Additive for Friction and Wear Reduction Open
View article: Movement pattern of an ellipsoidal nanoparticle confined between solid surfaces: Theoretical model and molecular dynamics simulation
Movement pattern of an ellipsoidal nanoparticle confined between solid surfaces: Theoretical model and molecular dynamics simulation Open
The movement pattern of ellipsoidal nanoparticles confined between copper surfaces was examined using a theoretical model and molecular dynamics simulation. Initially, we developed a theoretical model of movement patterns for hard ellipsoi…
View article: <p>Clinical Characteristics of <em>Pneumocystis</em> Pneumonia After Parental Renal Transplantation</p>
Clinical Characteristics of <em>Pneumocystis</em> Pneumonia After Parental Renal Transplantation Open
Peak PCP incidence occurred during the first 6 months after surgery. Progressive dyspnea, fever, and dry cough are important indicators for PCP. Bilateral and diffuse ground-glass opacities involving both lung apexes are often the first in…
View article: Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study
Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study Open
The surface planarity and asperity removal behavior on atomic scale in an ultrathin water environment were studied for a nanoscale process by molecular dynamics simulation. Monolayer atomic removal is achieved under both noncontact and mon…
View article: Effects of Deep Cryogenic Treatment on the Microstructures and Tribological Properties of Iron Matrix Self-Lubricating Composites
Effects of Deep Cryogenic Treatment on the Microstructures and Tribological Properties of Iron Matrix Self-Lubricating Composites Open
The effects of deep cryogenic treatment on the microstructures and tribological properties of the self-lubricating iron matrix composites are investigated. The self-lubricating composites are deeply cryogenically treated at about −196 °C. …
View article: Surface Removal of Copper Thin Film under the Ultrathin Water Environment for Nanoscale Process
Surface Removal of Copper Thin Film under the Ultrathin Water Environment for Nanoscale Process Open
The surface planarity and asperity removal behaviors of atomic scale under the ultrathin water environment was studied for the nanoscale process by molecular dynamics simulation. The monolayer atomic removal was achieved under the nonconta…
View article: Influence of Abrasive Shape on the Abrasion and Phase Transformation of Monocrystalline Silicon
Influence of Abrasive Shape on the Abrasion and Phase Transformation of Monocrystalline Silicon Open
The effect of abrasive shape on the three-body abrasion behaviors of monocrystalline silicon was investigated via molecular dynamics. The axial ratio of abrasive particle varied from 1.00 to 0.40 to mimic abrasive shape. It has been observ…