检索结果-南通市图书馆

Effect of order–disorder transition on thermodynamic and electronic properties of σ and χ phases in W–Re alloy: the first-principles calculation

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Tungsten 2025年第1期7卷 195-213页

作者： Zhi-Peng Zhu Dian Jia William Yi Wang Jun-Lei Yin Xing-Yu Gao Shu-Feng Yang Hai-Feng Song Jin-Shan Li State Key Laboratory of Solidification processing Northwestern Polytechnical University Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics School of Metallurgical and Ecological Engineering University of Science and Technology Beijing

The Tungsten-Rhenium(W-Re) alloys,celebrated for their high melting point,strength at elevated temperatures,electrical resistivity,and radiation resistance,have been widely utilized in high-temperature components,aerospace,electronics,and nuclear *** constituents of the topologically close-packed(TCP) phases,the sigma phase(σ) and chi phase(χ) formed within W-Re alloys wield considerable influence on the mechanical properties and the stability of the *** calculations were utilized in the present work to explore the structural,thermodynamic,and electronic properties of both ordered and disordered configurations within the σ and χ phases,culminating in a systematic elucidation of the higher phase stability exhibited by the ordered *** is found that the bulk modulus of these two phases is directly proportional to the concentration of Re in the alloy,while the equilibrium volume is inversely *** thermodynamic parameters of the σ and χ phases are calculated via the mean-field potential *** similar trends observed in the isobaric heat capacity,enthalpy increment,and entropy change curves for these two phases suggest they possess comparable thermodynamic *** is noteworthy that the contribution of ionic vibrations predominantly affects the isobaric heat capacity,while the contribution of thermal electronic excitations increases linearly with *** the structure and thermodynamic properties of TCP phases in W-Re alloys at low temperatures has profound significance for optimizing material performance,microstructures features,establishing theoretical foundations,and predicting material behavior.

关键词： First-principles calculations Phase stability TCP phases Thermodynamic properties W–Re alloy

Effect of Ti Additions on Mechanical and Thermodynamic Properties of W-Ti Alloys: A First-principles Study

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 246-257页

作者： ZHANG Jian NIE Wei HUANG Jin ZHU Ke LIU Ruxia ZHANG Ruizhi LUO Guoqiang SHEN Qiang State Key Laboratory of Advanced Technology for Materials Synthesis and processing Wuhan University of TechnologyWuhan 430070China institute for Carbon Neutrality University of Science and Technology BeijingBeijing 100083China

The mechanical and thermodynamic properties of W-Ti alloys(including W_(15)Ti_(1),W_(14)Ti_(2),W_(12)Ti_(4) and W_(8)Ti_(8) alloys)were investigated by the first-principles approach based on density functional *** results indicate that W-Ti alloys except W_(8)Ti_(8) are thermodynamically *** modulus and hardness of W-Ti alloys are smaller than those of pure tungsten and gradually decrease with increasing Ti ***,their B/G ratios and Poisson's ratios exceed those of pure tungsten,suggesting that the introduction of Ti decreases the mechanical strength while enhancing the ductility of W-Ti *** thermal expansion coefficients for W-Ti alloys all surpass those of pure tungsten,indicating that the introduction of titanium exacerbates the thermal expansion behavior of W-Ti ***,elevated pressure has the capacity to suppress the thermal expansion tendencies in titanium-doped tungsten *** study offers theoretical insights for the design of nuclear materials by exploring the mechanical and thermodynamic properties of W-Ti alloys.

关键词： first-principles mechanical properties thermodynamic properties tungsten-titanium alloys

Research status and prospects of the fractal analysis of metal material surfaces and interfaces

在线全文

学校读者我要写书评

暂无评论

International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 20-38页

作者： Qinjin Dai Xuefeng Liu Xin Ma Shaojie Tian Qinghe Cui Beijing Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing 100083China Beijing Laboratory of Metallic Materials and processing for Modern Transportation University of Science and Technology BeijingBeijing 100083China Laboratory for Advanced Materials processing of Ministry of Education University of Science and Technology BeijingBeijing 100083China School of Mechanical and Electrical Engineering Xinjiang Institute of EngineeringUrumqi 830023China

As a mathematical analysis method,fractal analysis can be used to quantitatively describe irregular shapes with self-similar or self-affine *** analysis has been used to characterize the shapes of metal materials at various scales and *** methods make it difficult to quantitatively describe the relationship between the regular characteristics and properties of metal material surfaces and ***,fractal analysis can be used to quantitatively describe the shape characteristics of metal materials and to establish the quantitative relationships between the shape characteristics and various properties of metal *** the perspective of two-dimensional planes and three-dimensional curved surfaces,this paper reviews the current research status of the fractal analysis of metal precipitate interfaces,metal grain boundary interfaces,metal-deposited film surfaces,metal fracture surfaces,metal machined surfaces,and metal wear *** relationship between the fractal dimensions and properties of metal material surfaces and interfaces is *** from three perspectives of fractal analysis,namely,research scope,image acquisition methods,and calculation methods,this paper identifies the direction of research on fractal analysis of metal material surfaces and interfaces that need to be *** is believed that revealing the deep influence mechanism between the fractal dimensions and properties of metal material surfaces and interfaces will be the key research direction of the fractal analysis of metal materials in the future.

关键词： metal material surfaces and interfaces fractal analysis fractal dimension homogeneity

Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

在线全文

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou Chen Shen Zhenghao Wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) institute of Materials Science TU Darmstadt Department of Chemistry Xi'an Jiaotong-Liverpool University Department of Mechanical and Mechatronics Engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： Condensation reactions

Near-perfect replication on amorphous alloys through active force modulation based on machine learning/neural network parameter prediction

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 181-191页

作者： Senkuan Meng Zheng Wang Ruisong Zhu Ruijie Liu Jiang Ma Lina Hu Weihua Wang Key Laboratory for Liquid-Solid Structural Evolution and processing of Materials (Ministry of Education) School of Materials Science and Engineering Shandong University College of Mechatronics and Control Engineering Shenzhen University Songshan Lake Materials Laboratory institute of Physics Chinese Academy of Sciences

As a microforming technique, micro/nano-structural replication possesses advantages of high precision and efficiency. With the remarkable superplasticity in the supercooled liquid region, amorphous alloys or metallic glasses(MGs) are regarded as ideal materials for miniature fabrication. However, due to the intrinsic metastable nature of supercooled liquids, the design of imprinting processes for MGs poses a challenge. In the past, process parameters have largely relied on trial-and-error *** this work, a low-frequency active force modulation system is employed to apply a stable, precise, and real-time feedback stress field for imprinting of MG samples. Low-frequency vibrations can facilitate the filling of microstructures on the template surface by reducing the effective viscosity of the supercooled liquid. With the dataset composed of orthogonal experiments, a machine learning strategy based on back-propagation(BP) neural networks was utilized to construct a 3D parameter space for temperature, stress, and time, and to predict the corresponding filling ratio. Furthermore, the optimal combination of imprinting process parameters was identified, and its filling ratio was experimentally validated to reach as high as 0.94. The near-perfect replication of microstructures confirms the superiority of the active force modulation system and the data-driven strategy of machine learning-assisted parameter design. At the same time, this one-step microforming process provides a new approach to addressing the accuracy-cost trade-off dilemma in precision manufacturing.

关键词： metallic glass amorphous alloy microforming imprinting machine learning

Identification and characterization of Pichia membranifaciens Hmp-1 isolated from spoilage blackberry wine

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Journal of Integrative Agriculture 2018年第9期17卷 2126-2136页

作者： WANG Ying ZHAO Yan-cun FAN Lin-lin XIA Xiu-dong LI Ya-hui ZHOU Jian-zhong institute of agro-product processing Jiangsu Academy of Agricultural Sciences institute of Plant Protection Jiangsu Academy of Agricultural Sciences

The pellicle-forming yeast could cause the quality deterioration of wine. In this study, a pellicle-forming strain Hmp-1 was isolated from the spoilage blackberry wine, and identified as Pichia membranifaciens based on the morphology and partial nucleotide sequence of 26S rDNA. The effects of fermentation conditions （ethanol, sulfur dioxide, sugar, and temperature） on the growth of P. membranifaciens strain Hmp-1 and Saccharomyces cerevisiae strain FM^S-115 （a strain used for the blackberry wine fermentation） were investigated, respectively. The results indicated that Hmp-1 had lower resistance to these factors compared to FM-S-115, and the growth of Hmp-1 was completely inhibited by 10% （v/v） or 50 mg L-~ SO2 during the fermentation of blackberry wine. These results suggested that Hmp-1 could effectively be controlled by increasing ethanol or SO2 concentration during the fermentation and storage of blackberry wine. Furthermore, the analysis based on gas chromatography-mass spectrometry （GC-MS） showed that Hmp-1 remarkably decreased kinds of volatile compounds in blackberry wine, especially aldehydes and esters. In addition, some poisonous compounds were detected in the blackberry wine fermented by FM-S-115 and Hmp-l. These results suggested that Hmp-1 was a major cause leading to the quality deterioration of blackberry wine.

关键词： Picihia membranifaciens Hmp-1 blackberry wine pellicle-forming spoilage population dynamics volatile compounds

Robust interface and excellent as-built mechanical properties of Ti–6Al–4V fabricated through laser-aided additive manufacturing with powder and wire

在线全文

学校读者我要写书评

暂无评论

International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 154-168页

作者： Fei Weng Guijun Bi Youxiang Chew Shang Sui Chaolin Tan Zhenglin Du Jinlong Su Fern Lan Ng Key Laboratory for Liquid-Solid Structural Evolution and processing of Materials Ministry of EducationShandong Engineering&Technology Research Center for Superhard MaterialSchool of Materials Science and EngineeringShandong UniversityJinan 250061China institute of Intelligent Manufacturing Guangdong Academy of SciencesGuangzhou 510095China Singapore institute of Manufacturing Technology 5 Cleantech Loop636732Singapore

The feasibility of manufacturing Ti-6Al-4V samples through a combination of laser-aided additive manufacturing with powder(LAAM_(p))and wire(LAAM_(w))was explored.A process study was first conducted to successfully circumvent defects in Ti-6Al-4V deposits for LAAM_(p) and LAAM_(w),*** the optimized process parameters,robust interfaces were achieved between powder/wire deposits and the forged substrate,as well as between powder and wire *** characterization results revealed the epitaxial prior β grains in the deposited Ti-6Al-4V,wherein the powder deposit was dominated by a finerα′microstructure and the wire deposit was characterized by lamellar α *** mechanisms of microstructure formation and correlation with mechanical behavior were analyzed and *** mechanical properties of the interfacial samples can meet the requirements of the relevant Aerospace Material Specifications(AMS 6932)even without post heat *** fracture occurred within the interfacial area,further suggesting the robust *** findings of this study highlighted the feasibility of combining LAAM_(p) and LAAM_(w) in the direct manufacturing of Ti-6Al-4V parts in accordance with the required dimensional resolution and deposition rate,together with sound strength and ductility balance in the as-built condition.

关键词： laser-aided additive manufacturing powder deposition wire deposition interfacial characteristic mechanical behavior

Regulating crystallization and retarding oxidation in Sn-Pb perovskite via 1D cation engineering for high performance all-perovskite tandem solar cells

在线全文

学校读者我要写书评

暂无评论

Journal of Energy Chemistry 2025年第1期100卷 646-652页

作者： Ranran Liu Xin Zheng Zaiwei Wang Miaomiao Zeng Chunxiang Lan Shaomin Yang Shangzhi Li Awen Wang Min Li Jing Guo Xuefei Weng Yaoguang Rong Xiong Li Michael Gr?tzel Center for Mesoscopic Solar Cells Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced Technology Chinese Academy of Sciences School of Physics and Optoelectronic Engineering Hainan University Suzhou institute of Nano-Tech and Nano-Bionics (SINANO) Chinese Academy of Sciences School of Chemistry Chemical Engineering and Life Sciences State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

All-perovskite tandem solar cells have the potential to surpass the theoretical efficiency limit of single junction solar cells by reducing thermalization ***,the challenges encompass the oxidation of Sn2+to Sn4+and uncontrolled crystallization kinetics in Sn-Pb perovskites,leading to nonradiative recombination and compositional heterogeneity to decrease photovoltaic efficiency and operational ***,we introduced an ionic liquid additive,1-ethyl-3-methylimidazolium iodide （EMIMI） into Sn-Pb perovskite precursor to form low-dimensional Sn-rich/pure-Sn perovskites at grain boundaries,which mitigates oxidation of Sn2+to Sn4+and regulates the film-forming dynamics of Sn/Pb-based perovskite *** optimized single-junction Sn-Pb perovskite devices incorporating EMIMI achieved a high efficiency of 22.87%.Furthermore,combined with wide-bandgap perovskite sub-cells in tandem device,we demonstrate 2-terminal all-perovskite tandem solar cells with a power conversion efficiency of 28.34%,achieving improved operational stability.

关键词： All-perovskite tandem solar cells Sn-Pb perovskite 1D Regulated crystallization Antioxidation

Joint Estimation of SOH and RUL for Lithium-Ion Batteries Based on Improved Twin Support Vector Machineh

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Energy Engineering 2025年第1期122卷 243-264页

作者： Liyao Yang HongyanMa Yingda Zhang Wei He School of Electrical and Information Engineering Beijing University of Civil Engineering and ArchitectureBeijing100044China institute of Distributed Energy Storage Safety Big Data Beijing100044China Beijing Key Laboratory of Intelligent processing for Building Big Data Beijing100044China

Accurately estimating the State of Health(SOH)and Remaining Useful Life(RUL)of lithium-ion batteries(LIBs)is crucial for the continuous and stable operation of battery management ***,due to the complex internal chemical systems of LIBs and the nonlinear degradation of their performance,direct measurement of SOH and RUL is *** address these issues,the Twin Support Vector Machine(TWSVM)method is proposed to predict SOH and ***,the constant current charging time of the lithium battery is extracted as a health indicator(HI),decomposed using Variational Modal Decomposition(VMD),and feature correlations are computed using Importance of Random Forest Features(RF)to maximize the extraction of critical factors influencing battery performance ***,to enhance the global search capability of the Convolution Optimization Algorithm(COA),improvements are made using Good Point Set theory and the Differential Evolution *** Improved Convolution Optimization Algorithm(ICOA)is employed to optimize TWSVM parameters for constructing SOH and RUL prediction ***,the proposed models are validated using NASA and CALCE lithium-ion battery *** results demonstrate that the proposed models achieve an RMSE not exceeding 0.007 and an MAPE not exceeding 0.0082 for SOH and RUL prediction,with a relative error in RUL prediction within the range of[-1.8%,2%].Compared to other models,the proposed model not only exhibits superior fitting capability but also demonstrates robust performance.

关键词： State of health remaining useful life variational modal decomposition random forest twin support vector machine convolutional optimization algorithm