Keke Song
YOU?
Author Swipe
View article: A study on corporate social responsibility of professional football clubs on fans’ consumption intentions in China
A study on corporate social responsibility of professional football clubs on fans’ consumption intentions in China Open
Purpose To examine how Chinese fans’ perception of club CSR affects consumption intentions via fan identification and motivational attribution, and to test the moderating role of involvement. Methods A total of 1,327 valid questionnaires w…
View article: Effect of oxygen and nitrogen on hydrogen adsorption and permeation processes
Effect of oxygen and nitrogen on hydrogen adsorption and permeation processes Open
View article: Atomistic understanding of hydrogen bubble-induced embrittlement in tungsten enabled by machine learning molecular dynamics
Atomistic understanding of hydrogen bubble-induced embrittlement in tungsten enabled by machine learning molecular dynamics Open
Hydrogen bubble formation within nanoscale voids is a critical mechanism underlying the embrittlement of metallic materials, yet its atomistic origins remains elusive. Here, we present an accurate and transferable machine-learned potential…
View article: NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements
NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements Open
While machine-learned interatomic potentials offer near-quantum-mechanical accuracy for atomistic simulations, many are material-specific or computationally intensive, limiting their broader use. Here we introduce NEP89, a foundation model…
View article: GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials
GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials Open
This paper provides a comprehensive overview of the latest stable release of the graphics processing units molecular dynamics (GPUMD) package, GPUMD 4.0. We begin with a brief review of its development history, starting from the initial ve…
View article: Unraveling the transport behavior of BP and BAs using the Boltzmann transport equation and machine learning methods
Unraveling the transport behavior of BP and BAs using the Boltzmann transport equation and machine learning methods Open
View article: General-purpose machine-learned potential for 16 elemental metals and their alloys
General-purpose machine-learned potential for 16 elemental metals and their alloys Open
View article: DEMFFA: a multi-strategy modified Fennec Fox algorithm with mixed improved differential evolutionary variation strategies
DEMFFA: a multi-strategy modified Fennec Fox algorithm with mixed improved differential evolutionary variation strategies Open
The Fennec Fox algorithm (FFA) is a new meta-heuristic algorithm that is primarily inspired by the Fennec fox's ability to dig and escape from wild predators. Compared with other classical algorithms, FFA shows strong competitiveness. The …
View article: Solute segregation in polycrystalline aluminum from hybrid Monte Carlo and molecular dynamics simulations with a unified neuroevolution potential
Solute segregation in polycrystalline aluminum from hybrid Monte Carlo and molecular dynamics simulations with a unified neuroevolution potential Open
One of the most effective methods to enhance the strength of aluminum alloys involves modifying grain boundaries (GBs) through solute segregation. However, the fundamental mechanisms of solute segregation and their impacts on material prop…
View article: Screening and Expression Analysis of POD Gene in POD-H2O2 Pathway on Bud Dormancy of Pear (Pyrus pyrifolia)
Screening and Expression Analysis of POD Gene in POD-H2O2 Pathway on Bud Dormancy of Pear (Pyrus pyrifolia) Open
Bud endodormancy represents a pivotal and intricate biological process influenced by both genetic and epigenetic factors, the exact mechanism of which remains elusive. Hydrogen peroxide (H2O2) functions as a signalling molecule in the regu…
View article: Lithium and cobalt co-doped mesoporous bioactive glass nanoparticles promote osteogenesis and angiogenesis in bone regeneration
Lithium and cobalt co-doped mesoporous bioactive glass nanoparticles promote osteogenesis and angiogenesis in bone regeneration Open
Healing of severe fractures and bone defects involves many complex biological processes, including angiogenesis and osteogenesis, presenting significant clinical challenges. Biomaterials used for bone tissue engineering often possess multi…
View article: Paper-based ratiometric fluorescent sensing platform based on mixed quantum dots for the detection of glucose in urine
Paper-based ratiometric fluorescent sensing platform based on mixed quantum dots for the detection of glucose in urine Open
Paper-based ratiometric fluorescent sensing platform for glucose detection.
View article: General-purpose machine-learned potential for 16 elemental metals and their alloys
General-purpose machine-learned potential for 16 elemental metals and their alloys Open
Machine-learned potentials (MLPs) trained against quantum-mechanical reference data have demonstrated remarkable accuracy, surpassing empirical potentials. However, the absence of readily available general-purpose MLPs encompassing a broad…
View article: General-purpose machine-learned potential for 16 elemental metals and their alloys
General-purpose machine-learned potential for 16 elemental metals and their alloys Open
Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing …
View article: Recent Progress in Porphyrin/g-C3N4 Composite Photocatalysts for Solar Energy Utilization and Conversion
Recent Progress in Porphyrin/g-C3N4 Composite Photocatalysts for Solar Energy Utilization and Conversion Open
Transforming solar energy into chemical bonds is a promising and viable way to store solar energy. Porphyrins are natural light-capturing antennas, and graphitic carbon nitride (g-C3N4) is an effective, artificially synthesized organic sem…
View article: Effect of Mo Content on Hydrogen Evolution Reaction of 1400 MPa-Grade High-Strength Bolt Steel
Effect of Mo Content on Hydrogen Evolution Reaction of 1400 MPa-Grade High-Strength Bolt Steel Open
The effect of Mo content of 1400 MPa-grade high-strength bolt steel on hydrogen diffusion behavior and the hydrogen evolution reaction were studied using a hydrogen permeation experiment, potentiodynamic polarization tests, thermal desorpt…
View article: GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations Open
We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in Fan et al. [Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package gp…
View article: Genome-Wide Identification of MAPKK and MAPKKK Gene Family Members and Transcriptional Profiling Analysis during Bud Dormancy in Pear (Pyrus x bretschneideri)
Genome-Wide Identification of MAPKK and MAPKKK Gene Family Members and Transcriptional Profiling Analysis during Bud Dormancy in Pear (Pyrus x bretschneideri) Open
The mitogen-activated protein kinase (MAPK) cascade consisting of three types of reversibly major signal transduction module (MAPKKK, MAPKK, and MAPK) is distributed in eukaryotes. MAPK cascades participate in various aspects of plant deve…
View article: Identification Method of Main Road Traffic Congestion Situation in Cold-Climate Cities Based on Potential Energy Theory and GPS Data
Identification Method of Main Road Traffic Congestion Situation in Cold-Climate Cities Based on Potential Energy Theory and GPS Data Open
Traffic congestion is a global problem. Affected by climate, the issue of congestion in cold-climate cities is more serious. To comprehensively and accurately identify the traffic congestion situation on the main roads of cold-climate citi…
View article: The Rational Control of Precursor Concentration in Perovskite Light-Emitting Diodes
The Rational Control of Precursor Concentration in Perovskite Light-Emitting Diodes Open
Perovskite light-emitting diodes (PeLEDs) have attracted tremendous attention due to their ideal optoelectronic properties, such as high color purity, high fluorescence quantum yield, and tunable light color. The perovskite layer plays a d…
View article: Investigation of the Photoresponse and Time-Response Characteristics of HDA-BiI5-Based Photodetectors
Investigation of the Photoresponse and Time-Response Characteristics of HDA-BiI5-Based Photodetectors Open
Photoelectric devices can be so widely used in various detection industries that people began to focus on its research. The research of photoelectric sensors with high performance has become an industry goal. In this paper, we prepared pho…
View article: Origin of Low Lattice Thermal Conductivity and Mobility of Lead-Free Halide Double Perovskites
Origin of Low Lattice Thermal Conductivity and Mobility of Lead-Free Halide Double Perovskites Open
View article: Fabrication of Lithium and Cobalt Co-Doped Mesoporous Bioactive Glass Nanoparticles for in Vitro Angiogenesis and Osteogenesis
Fabrication of Lithium and Cobalt Co-Doped Mesoporous Bioactive Glass Nanoparticles for in Vitro Angiogenesis and Osteogenesis Open
View article: Catalytic activity, thermal stability and structural evolution of PdCu single-atom alloy catalysts: the effects of size and morphology
Catalytic activity, thermal stability and structural evolution of PdCu single-atom alloy catalysts: the effects of size and morphology Open
Catalytic properties and structure evolution of a PdCu nanoalloy with a novel crown-jewel structure are explored using DFT calculations and MD simulations.
View article: Effect of Polarization on Performance of Inverted Solar Cells Based on Molecular Ferroelectric 1,6-Hexanediamine Pentaiodide Bismuth with PCBM as Electron Transport Layer
Effect of Polarization on Performance of Inverted Solar Cells Based on Molecular Ferroelectric 1,6-Hexanediamine Pentaiodide Bismuth with PCBM as Electron Transport Layer Open
The depolarization field of ferroelectric photovoltaic materials can enhance the separation and transport of photogenerated carriers, which will improve the performance of photovoltaic devices, thus attracting the attention of researchers.…
View article: Investigation on Film Quality and Photophysical Properties of Narrow Bandgap Molecular Semiconductor Thin Film and Its Solar Cell Application
Investigation on Film Quality and Photophysical Properties of Narrow Bandgap Molecular Semiconductor Thin Film and Its Solar Cell Application Open
Hexane-1,6-diammonium pentaiodobismuth (HDA-BiI5) is one of the narrowest bandgap molecular semiconductor reported in recent years. Through the study of its energy band structure, it can be identified as an N-type semiconductor and is able…
View article: Photodetector without Electron Transport Layer Based on Hexane-1,6-Diammonium Pentaiodobismuth (HDA-BiI5) Molecular Semiconductor
Photodetector without Electron Transport Layer Based on Hexane-1,6-Diammonium Pentaiodobismuth (HDA-BiI5) Molecular Semiconductor Open
With the development of the semiconductor industry, research on photoelectronic devices has been emphasized. In this paper, a molecular semiconductor material with a narrow bandgap of hexane-1,6-diammonium pentaiodobismuth (HDA-BiI5) was u…
View article: Method for Identifying the Traffic Congestion Situation of the Main Road in Cold-Climate Cities Based on the Clustering Analysis Algorithm
Method for Identifying the Traffic Congestion Situation of the Main Road in Cold-Climate Cities Based on the Clustering Analysis Algorithm Open
Congestion has become a common urban disease in countries worldwide, with the acceleration of urbanization. The connotation of the congestion situation is expanded to describe, in detail, the traffic operation status and change characteris…
View article: Effect of Alloying Elements on the Stacking Fault Energy and Ductility in Mg<sub>2</sub>Si Intermetallic Compounds
Effect of Alloying Elements on the Stacking Fault Energy and Ductility in Mg<sub>2</sub>Si Intermetallic Compounds Open
Alloying elements can pronouncedly change the mechanical properties of intermetallic compounds. However, the effect mechanism of this in Mg2Si alloys is not clear yet. In this paper, systematic first-principles calculations were…
View article: Improvement of Drug-Loading Properties of Hydroxyapatite Particles Using Triethylamine as a Capping Agent: A Novel Approach
Improvement of Drug-Loading Properties of Hydroxyapatite Particles Using Triethylamine as a Capping Agent: A Novel Approach Open
Particles that modify delivery characteristics are a focus of drug-loading research. Hydroxyapatite particles (HAPs) have excellent biocompatibility, shape controllability, and high adsorption, making them a potential candidate for drug-de…