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Insights into crystal growth and morphology evolution mechanism of multi-component carbide: Experiments and first-principles calculations

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Journal of materials Science & technology 2026年 240卷 27-34页

作者： Yong Fan Yuyao Chen Jin Wang Lei Gu Kaixuan Zhou Yuanyuan Gong Wei Liu Yonghao Zhao Xiangfa Liu Jinfeng Nie Nano and Heterogeneous Materials Center School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing 210094 China MIIT Key Laboratory of Advanced Metallic and Intermetallic Materials Technology School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing 210094 China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022 China School of Materials Science and Engineering Hohai University Changzhou 213200 China Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of Education Shandong University Jinan 250061 China

Multi-component transition metal carbides (MTMCs) have garnered significant attention for their outstanding high-temperature stability and versatile properties, which make them ideal candidates for a wide range of industrial applications. However, the underlying mechanisms governing the crystal growth and morphological evolution of MTMCs remain poorly understood, hindering the design of materials with tailored characteristics. In this paper, we employ an in-situ liquid-solid reaction method to synthesize (HfTaZrNbTi)C MTMC powders and explore their crystal growth and morphology evolution. The synthesized (TiZrHfNbTa)C powders exhibit two distinct morphologies: cubic, primarily composed of Ti, Hf, Ta, and Zr with a small amount of Nb, and octahedral, rich in Ti and Ta with minor amounts of Hf, Nb, and Zr. First-principles calculations show that the surface energy of the (100) plane is lower than the (111) plane, leading to the formation of the cubic morphology. The octahedral morphology forms due to decreased mixing entropy and higher theoretical density compared to cubic particles. Our findings provide valuable insights into the crystal growth and morphology evolution mechanisms of high-entropy ceramics, contributing to the rational design of MTMCs with engineered crystal structures for diverse structural and functional applications.

关键词： Multi-component carbide First-principles calculations Crystal growth Morphology evolution mechanism

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Iron-doped Nano-hydroxyapatite: Preparation and Ultraviolet Absorption Performance

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Wuji Cailiao Xuebao/Journal of Inorganic materials 2025年第5期40卷 457-465页

作者： An, Ran Lin, Si Guo, Shigang Zhang, Chong Zhu, Shun Han, Yingchao State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Shandong Zhushi Pharmaceutical Group Co. Ltd. Heze274300 China

Nano-hydroxyapatite (nHAP) possesses both biocompatibility and environmental friendliness, and holds the potential to become a novel ultraviolet (UV) absorbent material following iron doping modification. This study employed co-precipitation and hydrothermal methods to prepare iron-doped nano-hydroxyapatite (Fe-nHAP). Influence of the preparation process on UV absorption performance was investigated by adjusting reaction time, temperature, and iron doping ratio. The results indicate that with the increase of temperature from 37 ℃ to 150 ℃ or the extension of reaction time from 0.5 h to 3 h, both the crystallinity and the peak of UV absorption improve. It can be inferred that there is a certain positive correlation between the UV absorption performance and crystallinity of Fe-nHAP. Additionally, the UV absorption capacity is closely correlated to the iron doping ratio. As the iron doping molar ratio increases from 0 to 10%, the UV absorption capacity is gradually enhanced, with the maximum absorption value rising from 0.03 to 1.35. This phenomenon is attributed to the reduction in optical bandgap caused by iron doping. However, a high iron doping ratio leads to excessive reduction in material crystallinity, resulting in weakened enhancement of UV absorption performance. The safety assessment indicates that Fe-nHAP with an iron doping molar ratio of 7% does not demonstrate cytotoxicity, phototoxicity and skin irritation. In summary, Fe-nHAP has a suitable UV absorption performance. With its favorable biosecurity, it is anticipated to emerge as a new type of UV absorption material. © 2025 Science Press. All rights reserved.

关键词： Crystallinity

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Argon-assisted electrical explosion of graphite powder in a constraint tube: Experimental and MD insights into the exfoliation mechanism

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Ceramics International 2025年

作者： Zhu, Wenli Zhu, Liang Department of Civil and Environmental Engineering University of California Los Angeles United States School of Materials Science and Engineering State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of Technology Lanzhou730050 China

We report a top-down electrical explosion approach in a constraint tube under an argon atmosphere for high-yield production of few-to multi-layer graphene. By coupling high-voltage discharges with inert gas support, this technique imparts intense shock loading that surmounts the interlayer van der Waals forces in graphite. Systematic experimental analyses (FE-SEM, TEM/HRTEM, AFM, Raman) confirm efficient exfoliation into largely few-layer graphene with minimal defects and residual graphite. To elucidate the atomistic mechanisms, large-scale molecular dynamics (MD) simulations replicate key stages of the process—annealing, shock-induced delamination, and cooling—revealing how shock loading and argon interactions drive interlayer expansion, bending, and partial delamination. Notably, argon significantly mitigates re-agglomeration during the cooling stage, preserving dispersed graphene flakes. This synergy between experiment and simulation establishes electrical explosion in an argon-rich environment as a scalable method potentially suitable for commercial graphene production. Moreover, it highlights the crucial role of controlled shock conditions and argon gas interactions in enabling robust, few-layer exfoliation, paving the way for further optimization and industrial implementation. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Van der Waals forces

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Towards state-of-the-art semiconductor/dielectric interface in two-dimensional electronics

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Journal of materials Science and technology 2025年 239卷 93-108页

作者： Xu, Yongshan Liu, Kailang Xiong, Xiong Wu, Yanqing Zhai, Tianyou State Key Laboratory of Materials Processing and Die and Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Wuhan430074 China Research Institute of Huazhong University of Science and Technology in Shenzhen Shenzhen518057 China School of Integrated Circuits and Beijing Advanced Innovation Center for Integrated Circuits Peking University Beijing100871 China

Two-dimensional (2D) semiconductors have emerged as an ideal platform for fundamental research and a promising candidate beyond silicon materials in future transistors due to their ultrathin thickness and excellent electrical properties. However, the practical application of 2D semiconductors still faces significant challenges. The excellent interface quality of traditional silicon-based semiconductor devices is crucial for their outstanding performance, whereas the interface issues in 2D semiconductor/dielectric systems remain unresolved, resulting in device performance far below expectations. Therefore, further study of the interface in 2D semiconductor/dielectric systems and finding appropriate methods to quantify interface quality, as well as interface optimization strategies, are critical for driving the practical application of 2D semiconductors. In this review, we discuss the issues existing at the 2D semiconductor/dielectric interface, quantitative characterization methods and optimization strategies for interface quality. This includes comparing the advantages and disadvantages of traditional characterization methods for silicon-based semiconductors when applied to 2D semiconductors, as well as the development of strategies to improve interface quality and enhance the performance of 2D devices. Finally, in the outlook, we outline the development directions for improving the interface quality of 2D semiconductor/dielectric systems. © 2025

关键词： Silicon wafers

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Large Tunneling Magnetoresistance in Nonvolatile 2D Hybrid Spin Filters

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Physical Review Letters 2025年第7期134卷 077001-077001页

作者： Xiaoyu Wang Lihao Zhang Miao He Qi Li Wenqin Song Kunlin Yang Shuxi Wang Takashi Taniguchi Kenji Watanabe MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Materials and Mesoscopic Physics School of Physics Xi’an Jiaotong University Xi’an 710049 China Anhui Key Laboratory of Low-Energy Quantum Materials and Devices High Magnetic Field Laboratory Hefei Institutes of Physical Science Chinese Academy of Sciences Hefei 230031 China Science Island Branch of Graduate School University of Science and Technology of China Hefei 230026 China Key Laboratory of Flexible Electronics and Institute of Advanced Materials Nanjing Tech University Nanjing 211816 China State Key Laboratory of Surface Physics and Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai 200433 China Research Center for Materials Nanoarchitectonics National Institute for Materials Science Tsukuba 305-0044 Japan Research Center for Electronic and Optical Materials National Institute for Materials Science Tsukuba 305-0044 Japan

Ferromagnetic semiconductors offer an efficient way to achieve high spin polarization via spin filtering effect. Large tunneling magnetoresistance (TMR) can then be realized when multiple spin filters are put in series, as recently demonstrated in van der Waals 2D A-type antiferromagnets such as CrI3 and CrSBr. However, the interlayer antiferromagnetic ground state of these magnets inherently results in a high resistance state at zero field, and this volatile behavior limits potential applications. Here we fabricate hybrid spin filters using 2D ferromagnetic metal Fe3GeTe2 and semiconductor CrBr3, which are nonvolatile as two magnets are magnetically decoupled. We achieve large TMR of around 100%, with its temperature dependence well fitted by the extended Jullière model. Additionally, the devices allow spin injection tuned through bias voltage, and TMR polarity reversals are observed. Our work opens a new route to develop 2D magnetic semiconductor based spintronics.

关键词： Van der Waals forces

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Crystal Structures and Thermoelectric Properties of Sm-Filled Skutterudite Compounds Sm_yFe_xCo_(4-x)Sb_(12)

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Journal of Rare Earths 2007年第6期25卷 739-743页

作者：刘桃香唐新峰谢文杰鄢永高张清杰 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

Polycrystalline samples of Sm partially filled skutterudites SmyFexCo4-xSb12 were prepared by melting and Spark Plasma Sintering technique. The results of Rietveld refinement showed that the obtained SmyFexCo4-xSb12 samples possessed filled skutterudite structures. The thermal parameter （B） of Sm is larger than that of Sb, Fe, and Co, indicating that Sm ＂rattled＂ in Sb-icosahedron voids. The effects of filling atom Sm on thermoelectric properties of these compounds were investigated. With the increase of Sm filling fraction （y）, electrical conductivity decreased, Seebeck coefficient increased and had a maximum value when y was 0.38; thermal conductivity reduced and had a minimum value when y was 0. 32. At 750 K, the highest figure of merit of 0.68 was obtained for Sm0.32Fe1.47Co2.53Sb12.

关键词： skutterudite compound thermoelectric properties Sm filling rare earths

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Rare earth metal oxides as BH_4^--tolerance cathode electrocatalysts for direct borohydride fuel cells

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Journal of Rare Earths 2012年第5期30卷 437-441页

作者：倪学敏王雅东郭峰姚佩潘牧 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

Rare earth metal oxides（REMO） as cathode electrocatalysts in direct borohydride fuel cell（DBFC） were *** REMO electrocatalysts tested showed favorable activity to the oxygen electro-reduction reaction and strong tolerance to the attack of BH 4-in alkaline *** simple membraneless DBFCs using REMO as cathode electrocatalyst and using hydrogen storage alloy as anodic electrocatalyst exhibited an open circuit of about 1 V and peak power of above 60 mW/cm *** DBFC using Sm 2 O 3 as cathode electrocatalyst showed a relatively better *** maximal power density of 76.2 mW/cm 2 was obtained at the cell voltage of 0.52 V.

关键词： direct borohydride fuel cell oxygen electro-reduction rare earth oxide membraneless DBFC

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Damage induced bending strength variation and crack initiation mechanism during thermal cycling shock of laser deposited Stellite alloy coating for engine valve

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Journal of materials Research and technology 2025年 36卷 6062-6074页

作者： Wei Li Rui Cao Feng Zhu Yingjie Yan Jinyuan Ma Yanli Zhu State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Lanzhou University of Technology Lanzhou 730050 China Department of Materials Science and Engineering Lanzhou University of Technology Lanzhou 730050 China Department of Engineering University of Leicester LE1 7RH UK National Key Laboratory of Marine Engine Science and Technology Shanghai 201108 China

Stellite alloy coatings can significantly enhance the wear resistance of valves; however, cyclic thermal loading can induce thermal cycling shock, thereby reducing their service life and overall performance. This study systematically investigates the mechanisms of damage evolution, variations in bending properties, and crack initiation under thermal shocks in laser-deposited Stellite alloy coatings through quenching experiments coupled with multiscale characterization and numerical simulations. The results indicate that the critical temperature of macroscopic cracking is in the range from 350 °C to 400 °C. The damage, such as slip bands, micropores, and microcracks, is primarily induced by thermal stress concentrations driven by rapid cooling. The bending strength of the coatings deteriorates with an increasing damage fraction, which is attributed to the increase of the stress concentration factor in the damage area. Higher peak temperatures produce higher thermal stress, accelerating crack initiation and rapid propagation along the interfaces between the eutectic carbides and the matrix above the critical temperature. Conversely, at lower peak thermal shocking temperatures, the high density of geometrically necessary dislocations (from 74.786 × 10 12 to 178.269 × 10 12 /m 2 ) leads to significant localized stress concentrations, which synergistically with the interfacial damage degradation promote crack initiation.

关键词： Stellite alloy coating Thermal cycling shock Damage Bending strength Crack initiation

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Microstructure characteristics induced brittleness of hot isostatic pressing (HIP) diffusion bonded Ni60A hardfacing layer

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Journal of materials Research and technology 2025年 36卷 9360-9368页

作者： Lei Yu Rui Cao Zhengyi Jiang Yingjie Yan Jinyuan Ma Wanlin Zhao Lisong Zhu Fanghui Jia State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal Lanzhou University of Technology Lanzhou 730050 China School of Materials Science and Engineering Lanzhou University of Technology Lanzhou 730050 China School of Mechanical Materials Mechatronic and Biomedical Engineering University of Wollongong NSW 2522 Australia Advanced Technology & Materials Co. Ltd. Beijing 100081 China Hebei Hot Isostatic Pressing Technology Innovation Center Zhuozhou 072750 China

The fracture behavior of the hot isostatic pressing (HIP) diffusion bonded Ni60A hardfacing layer was evaluated by macro-indentation and uniaxial tensile methods. The macro-indentation fracture toughness (K IC = 15.5 MPa m 1/2 ) and the tensile engineering strain (ԑ E = 0.29 %) results show obvious brittleness of the HIP diffusion bonded Ni60A hardfacing layer. Microstructure, nanomechanical properties and fractographic examinations were used to reveal brittleness of the hardfacing layer. On the one hand, the microstructure of the hardfacing layer is comprised of high-volume fractions of brittle silicide, carbide, and boride phases. The volume fraction of plastic nickel-phase regions is merely 22.9 %, and these nickel-phase particles are individually isolated by a matrix of silicide, carbide, and boride phases. The continuous matrix of brittle silicide, carbide, and boride phases results in a low damage tolerance for the hardfacing layer. On the other hand, incoherent phase boundaries of the constituent phases in the hardfacing layer could lead to easy failure along phase boundaries and formation of intergranular cracks.

关键词： Hot isostatic pressing diffusion bonding Ni–Cr–B–Si alloy Microstructure evolution Cracking

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Correction to: Durable Fe3O4/PPy Particle Flow Spun Textile for Electromagnetic Interference Shielding and Joule Heating (advanced Fiber materials, (2025), 7, 2, (513-527), 10.1007/s42765-024-00498-2)

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advanced Fiber materials 2025年 1-1页

作者： Liu, Jiaxin Qi, Shuo Wang, Hongshan Fu, Chiyu Xu, Weilin Su, Bin Tang, Wenyang Xia, Zhigang State Key Laboratory of New Textile Materials and Advanced Processing Technologies School of Textile Science and Engineering Industry Research and Development Center of Functional Materials and Textile New Technology Textile Industry Key Laboratory of Yarn and Its Functionalization Wuhan Textile University Hubei Wuhan430200 China State Key Laboratory of Material Processing and Die and Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology Hubei Wuhan430074 China National Local Joint Engineering Laboratory of Resin-Based Structure and Functional Material Technology Hubei Xiaogan432100 China

In this article the first affiliation details for Jiaxin Liu were incorrectly given as 'state key laboratory of New Textile materials and advanced processing Technologies, School of Textile Science and Engineering, Wuhan Textile University, Wuhan, 430200, Hubei, People’s Republic of China' but should have been 'state key laboratory of New Textile materials and advanced processing Technologies, School of Textile Science and Engineering, Industry Research and Development Center of Functional materials and Textile New technology, Textile Industry key laboratory of Yarn and Its Functionalization, Wuhan Textile University, Wuhan, 430200, Hubei, People’s Republic of China'. The original article has been corrected. © Donghua University, Shanghai, China 2025.

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