Yufeng Wen
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View article: Search Self-play: Pushing the Frontier of Agent Capability without Supervision
Search Self-play: Pushing the Frontier of Agent Capability without Supervision Open
Reinforcement learning with verifiable rewards (RLVR) has become the mainstream technique for training LLM agents. However, RLVR highly depends on well-crafted task queries and corresponding ground-truth answers to provide accurate rewards…
View article: Ab Initio Study of Ti Segregation on the Pd–Ti Alloy Surface in the Presence of Adsorbed Atomic Oxygen
Ab Initio Study of Ti Segregation on the Pd–Ti Alloy Surface in the Presence of Adsorbed Atomic Oxygen Open
Surface segregation in bimetallic systems plays a critical role in material functionality, as electrochemical activity and catalytic performance are governed by the surface composition. To explore the influence of atomic oxygen on the surf…
View article: Effect of Cd Doping on the Gas-Sensitive Properties of ZnSn(OH)6
Effect of Cd Doping on the Gas-Sensitive Properties of ZnSn(OH)6 Open
The influence of Cd doping on the performance of ZnSn(OH)6 (ZHS) as a gas sensor was systematically investigated through experimental and theoretical approaches. ZHS and Cd-doped ZHS samples were synthesized using the hydrothermal method. …
View article: First-Principles Study of Rh Segregation in the Au–Rh(111) Alloy with Adsorbed NO, CO, or O2
First-Principles Study of Rh Segregation in the Au–Rh(111) Alloy with Adsorbed NO, CO, or O2 Open
Adsorbate-induced surface segregation significantly influences the catalytic and electrochemical performance of bimetallic alloys. Using density functional theory (DFT), we investigated Rh segregation in Au–Rh(111) alloys under the influen…
View article: A First-Principles Comparative Study on the Elastic and Related Properties of Ti3AC2 (A = Si, Ir, and Au) MAX Phases
A First-Principles Comparative Study on the Elastic and Related Properties of Ti3AC2 (A = Si, Ir, and Au) MAX Phases Open
The elastic, mechanical, acoustic, and thermal properties of Ti3SiC2, Ti3IrC2, and Ti3AuC2 MAX phases were systematically investigated using first-principles calculations based on density functional theory. The computed lattice parameters …
View article: A Theoretical Study of Ordinary Dislocations and Order Twinning in γ-TiAl at Finite Temperatures
A Theoretical Study of Ordinary Dislocations and Order Twinning in γ-TiAl at Finite Temperatures Open
The generalized planar fault energies of 1/2<110] and 1/6<112] slip directions on {111} planes in γ-TiAl at temperatures up to 1500 K were predicted through first-principles calculations and quasi-harmonic approximation. The obtained unsta…
View article: Elemental Interactions and Local Structures in Liquid Sb-As and Sb-Al-As Alloys: Insights from Ab Initio Molecular Dynamics and Experimental Studies on As Aggregation and Diffusion Behaviors
Elemental Interactions and Local Structures in Liquid Sb-As and Sb-Al-As Alloys: Insights from Ab Initio Molecular Dynamics and Experimental Studies on As Aggregation and Diffusion Behaviors Open
The local structure, element interactions, and electronic structure properties in Sb-As and Sb-Al-As melts were studied using ab initio molecular dynamics (AIMD) simulations. Sb-0.1wt%Al alloy was prepared using vacuum melting, and both pu…
View article: Combined predictive value of uric acid and serum lipid for stroke events in non-valvular atrial fibrillation patients
Combined predictive value of uric acid and serum lipid for stroke events in non-valvular atrial fibrillation patients Open
Background Serum uric acid (SUA) and lipid metabolism disorders are closely associated with atrial fibrillation (AF) and its prognosis. In patients with non-valvular AF (NAF), we evaluated the combined predictive value of SUA, triglyceride…
View article: Impact of China’s Diagnosis-Intervention Packet Policy on Hospitalization Costs for Patients With Malignant Tumors: A 2019–2022 Interrupted Time Series Analysis
Impact of China’s Diagnosis-Intervention Packet Policy on Hospitalization Costs for Patients With Malignant Tumors: A 2019–2022 Interrupted Time Series Analysis Open
The study confirmed the effectiveness of the DIP policy in controlling hospitalization costs for patients with malignant tumors. Going forward, the government should optimize DIP rules to clarify cost calculation methods and prevent excess…
View article: Preparation technology research progress of high-purity antimony
Preparation technology research progress of high-purity antimony Open
View article: Comprehensive Insights into Multivalent Metal Doping for Enhancing Nickel-Rich Cathode Performance
Comprehensive Insights into Multivalent Metal Doping for Enhancing Nickel-Rich Cathode Performance Open
View article: Rational Design of Cobalt Phosphide Nanorod Via Hydrothermal-Phosphorization for High-Performance Asymmetric Supercapacitors
Rational Design of Cobalt Phosphide Nanorod Via Hydrothermal-Phosphorization for High-Performance Asymmetric Supercapacitors Open
View article: Exploring the CO2 Electrocatalysis Potential of 2D Metal–Organic Transition Metal–Hexahydroxytriquinoline Frameworks: A DFT Investigation
Exploring the CO2 Electrocatalysis Potential of 2D Metal–Organic Transition Metal–Hexahydroxytriquinoline Frameworks: A DFT Investigation Open
Metal–organic frameworks have demonstrated great capacity in catalytic CO2 reduction due to their versatile pore structures, diverse active sites, and functionalization capabilities. In this study, a novel electrocatalytic framework for CO…
View article: Density Functional Study of Electrocatalytic Carbon Dioxide Reduction in Fourth-Period Transition Metal–Tetrahydroxyquinone Organic Framework
Density Functional Study of Electrocatalytic Carbon Dioxide Reduction in Fourth-Period Transition Metal–Tetrahydroxyquinone Organic Framework Open
This study investigates the utilisation of organometallic network frameworks composed of fourth-period transition metals and tetrahydroxyquinone (THQ) in electrocatalytic CO2 reduction. Density functional theory (DFT) calculations were emp…
View article: Temperature Effects on Generalized Stacking Fault Energies and Related Dislocation Properties in L12 Ni3al
Temperature Effects on Generalized Stacking Fault Energies and Related Dislocation Properties in L12 Ni3al Open
View article: <i>Ab initio</i> molecular dynamics study of the local structures and migration behaviors of liquid Sb-based alloys
<i>Ab initio</i> molecular dynamics study of the local structures and migration behaviors of liquid Sb-based alloys Open
High-purity Sb is widely applied in the semiconductor industry, infrared detection and non-volatile memory. An in-depth knowledge of the local structure and related properties in liquid Sb-based alloys proves to be highly advantageous in t…
View article: Single-Layer GaInSe3: Promising Water-Splitting Photocatalyst with Solar Conversion Efficiency over 30% from Theoretical Calculations
Single-Layer GaInSe3: Promising Water-Splitting Photocatalyst with Solar Conversion Efficiency over 30% from Theoretical Calculations Open
Hydrogen energy from solar water-splitting is known as an ideal method with which to address the energy crisis and global environmental pollution. Herein, the first-principles calculations are carried out to study the photocatalytic water-…
View article: Ab Initio Molecular Dynamics Study of the Local Structures and Migration Behaviors of Liquid Sb-Based Alloys
Ab Initio Molecular Dynamics Study of the Local Structures and Migration Behaviors of Liquid Sb-Based Alloys Open
View article: Investigating the β-Mg17Al12 Alloy under Pressure Using First-Principles Methods: Structure, Elastic Properties, and Mechanical Properties
Investigating the β-Mg17Al12 Alloy under Pressure Using First-Principles Methods: Structure, Elastic Properties, and Mechanical Properties Open
Calculations of first principles were employed to explore the elastic constants of the β-Mg17Al12 intermetallic complex under pressure, along with several related physical parameters, including the bulk modulus, the shear modulus, Young’s …
View article: Two-Dimensional (2D) TM-Tetrahydroxyquinone Metal–Organic Framework for Selective CO2 Electrocatalysis: A DFT Investigation
Two-Dimensional (2D) TM-Tetrahydroxyquinone Metal–Organic Framework for Selective CO2 Electrocatalysis: A DFT Investigation Open
The resource utilization of CO2 is one of the essential avenues to realize the goal of “double carbon”. The metal–organic framework (MOF) has shown promising applications in CO2 catalytic reduction reactions due to its sufficient pore stru…
View article: Two-Dimensional Transition Metal-Hexaaminobenzene Monolayer Single-Atom Catalyst for Electrocatalytic Carbon Dioxide Reduction
Two-Dimensional Transition Metal-Hexaaminobenzene Monolayer Single-Atom Catalyst for Electrocatalytic Carbon Dioxide Reduction Open
Electrocatalytic reduction of CO2 to valuable fuels and chemicals can not only alleviate the energy crisis but also improve the atmospheric environment. The key is to develop electrocatalysts that are extremely stable, efficient, selective…
View article: Theoretical Study on the Structural, Elastic, Electronic and Thermodynamic Properties of Long-Period Superstructures h- and r-Al2Ti under High Pressure
Theoretical Study on the Structural, Elastic, Electronic and Thermodynamic Properties of Long-Period Superstructures h- and r-Al2Ti under High Pressure Open
The formations of long-period superstructures strongly influence the properties of Al-rich L10-TiAl intermetallic alloys. To soundly understand the role of the superstructures in the alloys, fundamentals about them have to be known. In the…
View article: Investigation on the roll-to-plate imprinting of metallic surface micro dimples
Investigation on the roll-to-plate imprinting of metallic surface micro dimples Open
Large-area functional metallic surface microstructures have been increasingly utilized in various industrial fields. As an efficient and economical method in fabricating large-area functional metallic surface microstructures, the roll-to-p…
View article: Elevated IL-35 level and iTr35 subset increase the bacterial burden and lung lesions in <i>Mycobacterium tuberculosis</i>-infected mice
Elevated IL-35 level and iTr35 subset increase the bacterial burden and lung lesions in <i>Mycobacterium tuberculosis</i>-infected mice Open
This study aimed to investigate the relationship between interleukin (IL)-35 level and IL-35-producing regulatory T cells (iTr35 subset) in Mycobacterium tuberculosis (Mtb)-infected mice. After the mice were injected with Mtb strain H37R v…
View article: Pressure and temperature effects on the anisotropic and thermodynamic properties of NiAl and FeAl
Pressure and temperature effects on the anisotropic and thermodynamic properties of NiAl and FeAl Open
We present the elastic constants of NiAl and FeAl compounds under high pressure and high temperature by using a first-principles approach. The temperature dependent elastic constants are predicted from the combinations of static volume-depe…
View article: Theoretical insights into interfacial stability and ionic transport of Li<sub>2</sub>OHBr solid electrolyte for all-solid-state batteries
Theoretical insights into interfacial stability and ionic transport of Li<sub>2</sub>OHBr solid electrolyte for all-solid-state batteries Open
Li-rich antiperovskite materials are promising candidates as inorganic solid electrolytes (ISEs) for all-solid-state Li-ion batteries (ASSLIBs).
View article: Computational insights into the ionic transport mechanism and interfacial stability of the Li2OHCl solid-state electrolyte
Computational insights into the ionic transport mechanism and interfacial stability of the Li2OHCl solid-state electrolyte Open
Lithium-rich antiperovskites are promising solid-state electrolytes for all-solid-state lithium-ion batteries because of their high structural tolerance and good formability. However, the experimentally reported proton-free Li3OCl is plagu…
View article: Structural, elastic and electronic properties of MgB2C2 under pressure from first-principles calculations
Structural, elastic and electronic properties of MgB2C2 under pressure from first-principles calculations Open
First principles calculations by using of projected augmented plane-wave method have been performed to investigate the structural, elastic and electronic properties of MgB2C2 under different pressures. The results indicate that the ternary…
View article: Synthesis of (NH4)XWO3 nanorods by a novel hydrothermal route
Synthesis of (NH4)XWO3 nanorods by a novel hydrothermal route Open
We report on a novel hydrothermal route for synthesizing ammonium tungsten bronze ((NH4)xWO3) nanorods.As-prepared (NH4)xWO3 nanorods have an average diameter of 150 nm and length of 2 μm.These single-crystalline nanorods are hexagonal and…
View article: Human growth hormone level decreased in women aged <60 years but increased in men aged >50 years
Human growth hormone level decreased in women aged 50 years Open
To investigate the relationship amongst human growth hormone (HGH), sex, and age groups. A cross-sectional study was conducted on a health check-up population from Wannan area of China from 2014 to 2016. The study involved 6843 individuals…