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Theoretical study on mechanical and electronic properties of ternary diborides Sc0.5V0.5B2, Sc0.5Nb0.5B2 and Sc0.5Ta0.5B2

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MATERIALS TODAY COMMUNICATIONS 2023年 35卷

作者： Xie, Quanmin Yao, Yingkang liu, xuwen Sun, Jinshan Zhang, Zheng Chen, Lei Jianghan Univ State Key Lab Precis Blasting Wuhan 430056 Peoples R China Jianghan Univ Hubei Key Lab Blasting Engn Wuhan 430056 Peoples R China Baoji Univ Arts & Sci Coll Phys & Optoelect Technol Baoji 721016 Peoples R China Sichuan Jiaoda Engn Detect & Consulting Co Ltd Chengdu Peoples R China Jianghan Univ State Key Lab Precis Blasting Wuhan 430056 Peoples R China

Owing to the high thermal stability and superior mechanical properties, the transition-metal (TM) diborides have been proved to be a class of promising hard materials used as protective films. In the present work, a new type of ternary diborides Sc0.5V0.5B2, Sc0.5Nb0.5B2 and Sc0.5Ta0.5B2 alloyed by doping the TM scandium into VB2, NbB2 and TaB2 are systematically investigated using first-principle density functional theory (DFT) calculations. These ternary systems all possess higher hardness of up to about 45 GPa relative to their parent binary diborides ScB2, VB2, NbB2 and TaB2, suggesting they could be viewed as promising candidates of superhard materials. An improved structure searching approach was employed to explore the potential stable and metastable structures of them under the pressure of 0 similar to 100 GPa. The hexagonal AlB2-type structure (P6/mmm) was confirmed to be their ambient phase, which can retain the stability up to 100 GPa. Meanwhile, their ideal tensile and pure shear strengths all reached about 40 GPa, demonstrating their superhard nature. The origin of the enhanced mechanical properties of these ternary systems was resolved in details by electronic analysis at fundamental level. Thanks to the introduction of the Sc, the p-d interactions between TM and B atoms are greatly enhanced. This remarkable enhancement of p-d coupling hybridization together with the pure covalent B-B bonds results in their high hardness property.

关键词： Transition-metal diborides Superhard material First-principles Ideal strength Electronic structure

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Identification of circadian rhythm-related gene classification patterns and immune infiltration analysis in heart failure based on machine learning

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HELIYON 2024年第6期10卷 e27049页

作者： Wang, Xuefu Rao, Jin Zhang, Li liu, xuwen Zhang, Yufeng Univ Shanghai Sci & Technol Sch Hlth Sci & Engn Shanghai Peoples R China Naval Med Univ Shanghai Changzheng Hosp Dept Cardiothorac Surg Shanghai Peoples R China Guangxi Univ Nanning Peoples R China

Background: Circadian rhythms play a key role in the failing heart, but the exact molecular mechanisms linking changes in the expression of circadian rhythm-related genes to heart failure (HF) remain unclear. Methods: By intersecting differentially expressed genes (DEGs) between normal and HF samples in the Gene Expression Omnibus (GEO) database with circadian rhythm-related genes (CRGs), differentially expressed circadian rhythm-related genes (DE-CRGs) were obtained. Machine learning algorithms were used to screen for feature genes, and diagnostic models were constructed based on these feature genes. Subsequently, consensus clustering algorithms and nonnegative matrix factorization (NMF) algorithms were used for clustering analysis of HF samples. On this basis, immune infiltration analysis was used to score the immune infiltration status between HF and normal samples as well as among different subclusters. Gene Set Variation Analysis (GSVA) evaluated the biological functional differences among subclusters. Results: 13 CRGs showed differential expression between HF patients and normal samples. Nine feature genes were obtained through cross-referencing results from four distinct machine learning algorithms. Multivariate LASSO regression and external dataset validation were performed to select five key genes with diagnostic value, including NAMPT, SERPINA3, MAPK10, NPPA, and SLC2A1. Moreover, consensus clustering analysis could divide HF patients into two distinct clusters, which exhibited different biological functions and immune characteristics. Additionally, two subgroups were distinguished using the NMF algorithm based on circadian rhythm associated differentially expressed genes. Studies on immune infiltration showed marked variances in levels of immune infiltration between these subgroups. Subgroup A had higher immune scores and more widespread immune infiltration. Finally, the Weighted Gene Co -expression Network Analysis (WGCNA) method was utilized to discern

关键词： Heart failure Circadian rhythm Machine learning Immune infiltration Unsupervised clustering Bioinformatics

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Harnessing conversion bridge strategy by organic semiconductor in polymer matrix memristors for high-performance multi-modal neuromorphic signal processing

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INFOMAT 2025年第5期7卷

作者： Dong, Weijia Ji, Xuan An, Chuanbin Xu, Chenhui Zhang, xuwen Zhao, Bin liu, Yuqian Wang, Shiyu Yu, Xi liu, Xinjun Han, Yang Geng, Yanhou Tianjin Univ Sch Mat Sci & Engn Tianjin Key Lab Mol Optoelect Sci Minist EducCollaborat Innovat Ctr Chem Sci & Engn Tianjin 300350 Peoples R China Tianjin Univ Collaborat Innovat Ctr Chem Sci & Engn Tianjin Key Lab Organ Integrated Circuits Minist Educ Tianjin Peoples R China Tianjin Univ Sch Sci Dept Chem Key Lab Organ Integrated CircuitMinist Educ Tianjin 300072 Peoples R China Tianjin Univ Sch Sci Dept Chem Tianjin Key Lab Mol Optoelect Sci Tianjin 300072 Peoples R China Tianjin Univ Joint Sch Natl Univ Singapore & Tianjin Univ Int Campus Fuzhou Peoples R China Trina Solar State Key Lab Photovolta Sci & Technol Changzhou Peoples R China Tianjin Univ Fac Sci Tianjin Key Lab Low Dimens Mat Phys & Preparat Tec Tianjin 300354 Peoples R China

Organic memristors, integrating chemically designed resistive switching and mechanical flexibility, present promising hardware opportunities for neuromorphic computing, particularly in the development of next-generation wearable artificial intelligence devices. However, challenges persist in achieving high yield, controllable switching, and multi-modal information processing. In this study, we introduce an efficient distribution of conversion bridges (EDCB) strategy by dispersing organic semiconductor (poly[2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene], PBTTT) in elastomer (polystyrene-block-poly(ethylene-ran-butylene)-block-polystyrene, SEBS). This innovative approach results in memristors with exceptional yield, high stretchability, and reliable switching performance. By fine-tuning the semiconductor content, we shift the primary charge carriers from ions to electrons, realizing modulable non-volatile, and volatile duo-mode memristors. This advancement enables multi-modal signal processing at distinct operational mechanisms-non-volatile mode for image recognition in convolutional neural networks (CNNs) and volatile mode for dynamic classification and prediction in reservoir computing (RC). A fully analog RC hardware system is further demonstrated by integrating the distinct volatile and non-volatile modes of the EDCB-based memristor into the dynamic neuron network and the linear regression layer of the RC respectively, achieving high accuracy in online arrhythmia detection tasks. Our work paves the way for high-yield organic memristors with mechanical flexibility, advancing efficient multi-mode neuromorphic computing within a unified memristor system integrating volatile and non-volatile ***

关键词： convolutional neural network neuromorphic computing organic memristors reservoir computing stretchable electronics

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Recovering copper ions from wastewater with chitosan to synthesize lead-free primary explosives

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JOURNAL OF ALLOYS AND COMPOUNDS 2022年 914卷 1页

作者： liu, xuwen Hu, Yan Yang, Caimin Su, Jiaxin Ye, Yinghua Shen, Ruiqi Nanjing Univ Sci & Technol Sch Chem & Chem Engn Nanjing 210094 Peoples R China Minist Ind & Informat Technol Micronano Energet Devices Key Lab Nanjing 210094 Peoples R China

Chitosan (CTS) is a well-known adsorbent capable of absorbing copper ions. It's also a high-quality biomass carbon source. The carbon skeleton formed by the pyrolysis of CTS has outstanding electrical conductivity, which can help copper azide (CA), a new type of primary explosive that's particularly sensitive to electrostatic stimuli, be more electrostatically safe. The CTS-Cu complex is precipitated by using CTS to adsorb and flocculate copper ions in wastewater. To construct the Cu@carbonized chitosan (CCTS) precursor material, the organic ligands in the CTS-Cu complex are calcined into a porous three-dimensional carbon matrix, and the copper ions are transformed into copper nanoparticles embedded in CCTS. The azide reaction converts copper nanoparticles (CuNPs) into high-energy CA. With its good electrical conductivity, CCTS maintains its framework structure and effectively improves the electrostatic safety of composite energetic materials. CA@CCTS has a CA content of 69.7%, an electrostatic ignition energy (E-50) of about 1.19 mJ, and a heat release of 1803.22 J/g. This work takes advantage of CA and CTS's environmental friendliness. CA@CCTS, as a novel lead-free primary explosive, has good electrostatic safety while containing a high proportion of CA. (C) 2022 Elsevier B.V. All rights reserved.

关键词： Chitosan Adsorbent Carbonization Composite energetic materials Copper azide Electrostatic safety

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Energetic Films Realized by Encapsulating Copper Azide in Silicon-Based Carbon Nanotube Arrays with Higher Electrostatic Safety

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MICROMACHINES 2020年第6期11卷 575-575页

作者： liu, xuwen Hu, Yan Wei, Hai Chen, Bingwen Ye, Yinghua Shen, Ruiqi Nanjing Univ Sci & Technol Sch Chem Engn Nanjing 210094 Peoples R China Minist Ind & Informat Technol Micronano Energet Devices Key Lab Nanjing 210094 Peoples R China

Since copper azide (Cu(N-3)(2)) has high electrostatic sensitivity and is difficult to be practically applied, silicon-based Cu(N-3)(2)@carbon nanotubes (CNTs) composite energetic films with higher electrostatic safety were fabricated, which can be compatible with micro-electro mechanical systems (MEMS). First, a silicon-based porous alumina film was prepared by a modified two-step anodic oxidation method. Next, CNTs were grown in pores of the silicon-based porous alumina film by chemical vapor deposition. Then, copper nanoparticles were deposited in CNTs by electrochemical deposition and oxidized to Cu(N-3)(2)by gaseous hydrogen azide. The morphology and composition of the prepared silicon-based Cu(N-3)(2)@CNTs energetic films were characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD), respectively. The electrostatic sensitivity of the composite energetic film was tested by the Bruceton method. The thermal decomposition kinetics of the composite energetic films were studied by differential scanning calorimetry (DSC). The results show that the exothermic peak of the silicon-based Cu(N-3)(2)@CNTs composite energetic film is at the temperature of 210.95 degrees C, its electrostatic sensitivity is significantly less than that of Cu(N-3)(2)and its 50% ignition energy is about 4.0 mJ. The energetic film shows good electric explosion characteristics and is successfully ignited by laser.

关键词： energetic films composite energetic materials Cu(N-3)(2)@carbon nanotubes (CNTs) electrostatic sensitivity electrochemical deposition

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无机/有机复合涂层体系在3·5%NaCl溶液中的EIS

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化工学报 2007年第9期58卷 2288-2292页

作者：刘旭文熊金平曹京宜左禹北京化工大学材料科学与工程学院北京100029 海军涂料分析检测中心北京102442

采用电化学阻抗谱(EIS)研究了无机富锌底漆/环氧云铁中间漆/氯化橡胶面漆复合涂层体系在3.5%NaCl溶液中的腐蚀电化学行为,考察了紫外辐射对其电化学行为的影响。结果表明:复合涂层体系在3.5%NaCl介质中的腐蚀失效过程可以用4种等效电路... 详细信息

采用电化学阻抗谱(EIS)研究了无机富锌底漆/环氧云铁中间漆/氯化橡胶面漆复合涂层体系在3.5%NaCl溶液中的腐蚀电化学行为,考察了紫外辐射对其电化学行为的影响。结果表明:复合涂层体系在3.5%NaCl介质中的腐蚀失效过程可以用4种等效电路来等效。浸泡失效前120h,电解质溶液电阻Rc从开始的5×109Ω.cm2以大约2.2×107Ω.h-1的速度迅速下降到4×105Ω.cm2,到浸泡120h后Rc则以较小的速度808Ω.h-1下降,涂层电容Cc是按线性增加。紫外辐射不改变复合涂层体系在3.5%NaCl溶液中的电化学行为,仅仅加速复合涂层的失效。

关键词：复合涂层 EIS 老化失效紫外辐射

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Deciphering the role of genotype-by-environment interaction in summer maize hybrids based on multiple traits using envirotyping techniques and genotype by yield x trait approaches

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FIELD CROPS RESEARCH 2025年 326卷

作者： Yue, Haiwang Olimpio, das Gracas Dias Kaio Zhu, Jiashuai Bu, Junzhou Wei, Jianwei liu, Pengcheng Yang, Haoxiang Jiang, xuwen Hebei Acad Agr & Forestry Sci Dryland Farming Inst Hebei Prov Key Lab Crops Drought Resistance Res Hengshui 053000 Peoples R China Qingdao Agr Univ Coll Agron Qingdao 266109 Peoples R China Univ Fed Vicosa Dept Gen Biol BR-36571000 Vicosa MG Brazil Univ Melbourne Fac Sci Parkville Vic 3052 Australia

Context: The use of high-yielding, stable, and widely adaptable summer maize hybrids is essential for the sustainable cultivation of maize globally. However, contemporary breeding programs face challenges in identifying genotypes that exhibit consistent performance while maintaining desired agronomic characteristics across diverse environments. Dynamic shifts in global meteorological and edaphic conditions have impacted the evaluation of summer maize performance in China's multi-environment trials (METs). Multi-perspective analysis of genotype-by-environment interactions (GEI) is then essential for characterizing maize yield stability and trait expression across agroecological zones. Objective: This study aims to comprehensively evaluate the performance and stability of maize genotypes in the Huang-Huai-Hai region by integrating environmental techniques (ETs) with multi-trait selection methods. Methods: Twenty-eight maize hybrids and a check hybrid (ZD958) were evaluated across 29 locations in the Huang-Huai-Hai region of China during the 2019-2021 cropping seasons, using a randomized complete block design (RCBD) with three replications. Results: Based on 30 years (1993-2023) of environmental data, which included 19 meteorological and 6 soil physicochemical factors, the ETs classified the 29 locations across eight provinces into six distinct mega-environments (MEs). The additive main effects and multiplicative interaction (AMMI) model analysis revealed that genotype (G), environment (E), and their interaction (GxE) significantly influenced (p < 0.05) for all agronomic parameters from 2019 to 2021. The combined performance of grain yield and other agronomic traits-such as growth period, plant height, ear height, lodging rate, barren stalk rate, grain moisture content at harvest, ear row number, bare tip length, and 100-grain weight-across different MEs was assessed using the genotype by yield x trait (GYT) biplot approach. The integration of GYT biplots with ETs effe

关键词： Multi-environment trials Environmental techniques Genotype by environment interaction Mega-environments Maize (Zea mays L.) GYT biplot

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High-quality chromosome-level genome assembly of the whitespotted conger (Conger myriaster)

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SCIENTIFIC DATA 2025年第1期12卷 1-9页

作者： Han, Shenglei Li, Chen Li, Shuo Chen, Yan Wang, Chenggang liu, Kaiqiang liu, Yuyan Wang, Hong-Yan Wang, Qian Cao, xuwen Shi, Bao Shao, Changwei Jiangsu Ocean Univ Jiangsu Key Lab Marine Bioresources & Environm Lianyungang 222005 Peoples R China Chinese Acad Fishery Sci Yellow Sea Fisheries Res Inst State Key Lab Mariculture Biobreeding & Sustainabl Qingdao 266071 Shandong Peoples R China Qingdao Marine Sci & Technol Ctr Lab Marine Fisheries Sci & Food Prod Proc Qingdao 266237 Shandong Peoples R China Haiyang Yellow Sea Fisheries Co Ltd Yantai 265100 Peoples R China Chinese Acad Fishery Sci Hebei Key Lab Bohai Sea Fish Germplasm Resources C Beidaihe Cent Expt Stn Qinhuangdao 066100 Peoples R China

The whitespotted conger (Conger myriaster) is an ecologically and economically significant benthic marine species widely distributed across East Asia's coastal waters. Despite this importance, the genomic resources for this species remain limited, hindering evolutionary and aquaculture research. Here, we present the first high-quality chromosome-level genome assembly of C. myriaster using PacBio CLR, WGS, 10X Genomics and Hi-C data. The resulting 1.09 Gb genome assembly exhibits excellent contiguity, with 97.49% of sequences anchored onto 19 chromosomes. The assembled genome achieved a BUSCO completeness stands at 98.00%, containing 34.80% repetitive sequences and 24,063 predicted protein-coding genes. This foundational genomic resource overcomes a major limitation, providing the essential framework for future investigations into the evolutionary adaptations and for the genetic improvement of C. myriaster in aquaculture.

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Aquaponics model can provide better productivity: Microorganisms affect the growth and health of tilapia

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AQUACULTURE REPORTS 2025年 40卷

作者： Fan, Dingyue Xu, Huimin Meng, Shunlong Fan, Limin Song, Chao Qiu, Liping Li, Dandan Fang, Longxiang liu, Zhuping Bing, xuwen Shanghai Ocean Univ Coll Fisheries & Life Sci Shanghai Peoples R China Chinese Acad Fishery Sci Freshwater Fisheries Res Ctr Sci Observing & Expt Stn Fishery Resources & Envir Wuxi 214081 Peoples R China

Aquaponics is a novel ecological agricultural strategy that combines aquaculture and hydroponic cultivation. The relationships between fish immunological and digestive functions, water quality, and bacterial populations were not well understood. This study aims to investigate the effects of aquaponics on aquaculture water quality, fish growth performance, and fish health, as well as exploring the roles of microbial taxa in these processes. In the present study, three aquaponics systems were established, and three same sized recirculating aquaculture systems (RAS) were constructed to act as controls. To evaluate bacterial community diversity and compositions across different microhabitats in the two systems, we used amplicon-based high-throughput sequencing technique targeting the 16S rRNA gene. In aquaponics, fish had a much greater nitrogen utilization rate, weight gain rate (WGR), feed conversion ratio (FCR), and specific growth rate (SGR) than in controls. The activities of alkaline phosphatase (AKP), acid phosphatase (ACP), lysozyme (LYS), lipase (LPS), and trypsin (TRP) in tissues, all of which are indicators of fish health, were significantly greater in aquaponics than in controls. Aquaponics effectively lowered chlorophyll-a levels while having little effect on other water quality metrics, indicating their potential for better algae control. Water quality measures such as dissolved organic carbon, chlorophyll-a, dissolved oxygen, and ammonia nitrogen had a substantial impact on the fish's immunological and digestive capabilities. In terms of microbial influence, particular gut bacteria-such as the bacterial orders Pseudomonadales, Caulobacterales, Defluviicoccales, Exiguobacterales, and Gemmatales-have been identified as influencing various functions in fish. Among these bacterial orders, we found that Pseudomonadales and Exiguobacterales were more abundant in aquaponics than control systems. This study demonstrated that aquaponics can increase fish health an

关键词： Aquaponics Tilapia growth and health Water quality Microbial community

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Tribological properties of thin films made by atomic layer deposition sliding against silicon

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JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 2018年第1期36卷

作者： Kilpi, Lauri Ylivaara, Oili M. E. Vaajoki, Antti liu, xuwen Rontu, Ville Sintonen, Sakari Haimi, Eero Malm, Jari Bosund, Markus Tuominen, Marko Sajavaara, Timo Lipsanen, Harri Hannula, Simo-Pekka Puurunen, Riikka L. Ronkainen, Helena VTT Tech Res Ctr Finland Ltd POB 1000 FI-02044 Espoo Finland Aalto Univ Sch Chem Engn Dept Chem & Mat Sci POB 16100 FI-00076 Aalto Finland Aalto Univ Sch Elect Engn Dept Elect & Nanoengn POB 13500 FI-00076 Aalto Finland Univ Jyvaskyla Dept Phys POB 35 FI-40014 Jyvaskyla Finland Beneq Ltd Ensimmainen Savu FI-01510 Vantaa Finland ASM Microchem Ltd Pietari Kalmin Katu 1 F 2 FI-00560 Helsinki Finland Aalto Univ Sch Chem Engn Dept Chem & Met Engn POB 16100 FI-00076 Aalto Finland

Interfacial phenomena, such as adhesion, friction, and wear, can dominate the performance and reliability of microelectromechanical (MEMS) devices. Here, thin films made by atomic layer deposition (ALD) were tested for their tribological properties. Tribological tests were carried out with silicon counterpart sliding against ALD thin films in order to simulate the contacts occurring in the MEMS devices. The counterpart was sliding in a linear reciprocating motion against the ALD films with the total sliding distances of 5 and 20 m. Al2O3 and TiO2 coatings with different deposition temperatures were investigated in addition to Al2O3-TiO2-nanolaminate, TiN, NbN, TiAlCN, a-C:H [diamondlike carbon (DLC)] coatings, and uncoated Si. The formation of the tribolayer in the contact area was the dominating phenomenon for friction and wear performance. Hardness, elastic modulus, and crystallinity of the materials were also investigated. The nitride coatings had the most favorable friction and wear performance of the ALD coatings, yet lower friction coefficient was measured with DLC a-C: H coating. These results help us to take steps toward improved coating solutions in, e.g., MEMS applications. Published by the AVS.

关键词： CONTACT AREA MEMS devices TRIBOLOGICAL PROPERTIES friction atomic layer deposition AVS thin films Adrenoleukodystrophy

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