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Theoretical screening,intrinsic brittleness and thermal properties of the S-containing MAX carbides and borides

Journal of Materiomics 2023年第6期9卷 1056-1066页

作者： Zhiyao Lu Xiaodong He Hang Yin Jinze Zhang Guangping Song Yongting Zheng Yuelei Bai National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structure Harbin Institute of TechnologyHarbin150080China

To respond the recent experimental advances,the phase stability,mechanical properties,phonon as well as infrared-and Raman-active modes,thermal expansion and heat capacity were investigated by density functional theory for the S-containing MAX carbides and borides(M fromⅢB toⅧB),of importance,well consistent with the available experimental *** examining the thermodynamic competition with all the competing phases and intrinsic stability by their lattice dynamics,18 MAX phases were screened out from 138 *** the“bond stiffness”model as well as the associated criterion for damage tolerance and fracture toughness,the ratio of bond stiffness of weakest M-S to the strongest MX bonds(k_(min)/k_(max))over 1/2 indicates their intrinsic brittleness of all S-containing MAX phases except *** the contributions from phonon and electrons,their linear thermal expansion coefficients[(8.1e13.6)×10^(-6)K^(-1),300-1,300 K]and heat capacities(Cp)as a function of temperature are *** much interest,a well-established relationship between molar C_(p)of the MAX and MX phases is theoretically deduced in the present work.

关键词： Phase stability Intrinsic brittleness Thermal expansion Heat capacity

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Surface reconstruction of Se-doped NiS_(2) enables high-efficiency oxygen evolution reaction

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Journal of Energy Chemistry 2023年第9期84卷 173-180页

作者： Mengxin Chen Yuanyuan Zhang Ran Wang Bin Zhang Bo Song Yanchao Guan Siwei Li Ping Xu MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150001HeilongjiangChina Key Laboratory of Micro-systems and Micro-structures Manufacturing Ministry of EducationHarbin Institute of TechnologyHarbin 150001HeilongjiangChina Institute of Industrial Catalysis School of Chemical Engineering and TechnologyXi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Surface reconstruction of electrocatalysts has been widely witnessed during the electrochemical ***,NiS_(2),NiSe_(2), and Se doped NiS_(2)(Se-NiS_(2)) are fabricated for oxygen evolution reaction(OER) through a mild sulfuration and/or selenylation process of Ni(OH)_(2) supported on carbon cloth(CC).Through careful in-situ Raman spectroscopy and ex-situ X-ray photoelectron spectroscopy,surface reconstruction of NiS_(2),NiSe_(2),and Se-NiS_(2) during the OER process has been revealed.A potentialdependent study shows that Se-NiS_(2) undergoes surface evolution at lower potentials and requires the lowest potential for conversion to NiOOH as a highly OER-active species,accompanied by the leaching of SO_(4)^(2-) and SeO_(4)^(2-) that can again be adsorbed on the catalyst surface to enhance the catalytic *** functional theory(DFT) calculations confirm that Se-NiS_(2) is more susceptible to surface oxidation through the OER ***,Se-NiS_(2) exhibits outstanding OER activity and stability in alkaline conditions,requiring an overpotential of 343 mV at a current density of 50 mA cm^(-2).A novel insight is provided by our work in understanding the surface reconstruction and electrocatalytic mechanism of Ni-based chalcogenides.

关键词： Oxygen evolution reaction Se-NiS_(2) In-situ Raman spectroscopy Anion leaching Surface reconstruction

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Microstructural regulation,oxidation resistance,and mechanical properties of C_(f)/SiC/SiHfBOC composites prepared by chemical vapor infiltration with precursor infiltration pyrolysis

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Journal of advanced Ceramics 2022年第1期11卷 120-135页

作者： Yang LYU Baihe DU Guiqing CHEN Guangdong ZHAO Yuan CHENG Shanbao ZHOU Qingrong LV Xinghong ZHANG Wenbo HAN National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and StructuresHarbin Institute of TechnologyHarbin 150080China School of Chemistry and Materials Science Heilongjiang UniversityHarbin 150080China School of Physics and Material Science Anhui UniversityHefei 230601China

To further improve the oxidation resistance of polymer derived ceramic(PDC)composites in harsh environments,Cf/SiC/SiHfBOC composites were prepared by chemical vapor infiltration(CVI)and precursor impregnation pyrolysis(PIP)*** weight retention change,mechanical properties,and microstructure of C/SiC/SiHfBOC before and after oxidation in air were studied in *** analyses showed that only the interface between the ceramics and fibers was oxidized to some extent,and hafnium had been enriched on the composite surface after oxidizing at different *** main oxidation products of Cf/SiC/SiHfBOC composites were Hf0_(2)and HfSi04 after oxidation at 1500℃for 60 ***,the weight retention ratio and compressive strength of the Cf/SiC/SiHfBOC composites are 83.97%and 23.88±3.11 MPa,*** indicates that the Cf/SiC/SiHfBOC composites should be promising to be used for a short time in the oxidation environment at 1500℃.

关键词： Cf/SiC/SiHfBOC composites precursor infiltration pyrolysis(PIP)method mechanical properties high-temperature oxidation resistance

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key materials for extreme high-temperature environments: Ultra-high-temperature ceramics and their composites

Extreme Materials

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Extreme Materials 2025年第1期1卷 38-66页

作者： Yuxuan Liu Hui Wang Jianchao Hao Yuan Cheng Shun Dong Ping Hu Wenbo Han Xinghong Zhang National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structures Harbin Institute of Technology Harbin 150001 China

With the advancement of hypersonic vehicles, extreme high temperature environments have imposed increasingly stringent requirements on the performance of thermal protection systems. Consequently, the development of high-performance thermal protection materials capable of withstanding extreme conditions has become a primary focus of current research. Ultra-high temperature ceramics (UHTCs) and their composites, known for their excellent oxidation resistance and ablation performance, are regarded as highly promising non-ablative thermal protection materials. This paper provides a systematic review of recent research progress on UHTC composites in several key areas, including innovations and optimizations in fabrication processes, exploration of toughening strategies and mechanisms, in-depth studies on oxidation and ablation resistance mechanisms, and the development and potential applications of high-entropy ceramics. Furthermore, the paper discusses the practical application prospects of UHTCs and their composites in extreme environments, analyzes the current technical challenges, and proposes future research directions and priorities.

关键词： Extreme environments materials Ultra-high temperature ceramics (UHTCs) Toughening and strengthening Oxidation and ablation Hypersonic vehicles

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A reconfigurable dynamic Bayesian network for digital twin modeling of structures with multiple damage modes

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Theoretical & Applied Mechanics Letters 2023年第4期13卷 251-260页

作者： Yumei Ye Qiang Yang Jingang Zhang Songhe Meng Jun Wang Xia Tang School of Mechanical Technology Wuxi Institute of TechnologyWuxi 214121China National Key Laboratory of Science and Technology for National Defence on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150001China Beijing Institute of Astronautical Systems Engineering Beijing 100076China

Dynamic Bayesian networks(DBNs)are commonly employed for structural digital twin *** present,most researches only consider single damage mode *** is not sufficient for a reusable spacecraft as various damage modes may occur during its service life.A reconfigurable DBN method is proposed in this *** structure of the DBN can be updated dynamically to describe the interactions between different *** common damages(fatigue and bolt loosening)for a spacecraft structure are considered in a numerical *** results show that the reconfigurable DBN can accurately predict the acceleration phenomenon of crack growth caused by bolt loosening while the DBN with time-invariant structure cannot,even with enough *** definition of interaction coefficients makes the reconfigurable DBN easy to track multiple damages and be extended to more complex *** method also has a good physical interpretability as the reconfiguration of DBN corresponds to a specific *** predictions do not require precise knowledge of reconfiguration conditions,making the method more practical.

关键词： Dynamic Bayesian network Reusable spacecraft Damage Reconfiguration

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Selective thermal emission and infrared camouflage based on layered media

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Chinese Journal of Aeronautics 2023年第3期36卷 212-219页

作者： Qingxiang JI Xueyan CHEN Vincent LAUDE Jun LIANG Guodong FANG Changguo WANG Rasoul ALAEE Muamer KADIC National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150001China Institute FEMTO-ST CNRSUniversity Bourgogne Franche-Comte´Besanc¸on 25000France Institute of Advanced Structure Technology Beijing Institute of TechnologyBeijing 100081China Department of Physics University of OttawaOttawaK1N 6N5Canada Institute of Theoretical Solid State Physics Karlsruhe Institute of TechnologyKarlsruhe D-76131Germany

Infrared camouflage based on artificial thermal metasurfaces has recently attracted significant *** eliminating thermal radiation differences between the object and the background,it is possible to hide a given object from infrared *** camouflage is an important element that increases the survivability of aircraft and missiles,by reducing target susceptibility to infrared guided ***,a simple and practicable design is theoretically presented based on a multilayer film for infrared stealth,with distinctive advantages of scalability,flexible fabrication,and structural *** multilayer medium consists of silicon substrate,carbon layer and zinc sulfide film,the optical properties of which are determined by transfer matrix *** locally changing the thickness of the coating film,the spatial tunability and continuity in thermal emission are demonstrated.A continuous change of emissive power is further obtained and consequently implemented to achieve thermal camouflage *** addition,other functionalities,like thermal illusion and thermal coding,are demonstrated by thickness-engineered multilayer films.

关键词： Heat transfer manipulation Infrared camouflage Multilayer media Selective thermal emission Thermal illusion Transfer matrix method

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advanced synthesis strategy for high-density amorphous SiBCN ceramics with exceptional oxidation resistance via vacuum pyrolysis and spark plasma sintering

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Ceramics International 2025年

作者： Yan, Qiang Chen, Siyao Yang, Xuan Chen, Xinhao Li, Jinping Meng, Songhe National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin150080 China

Development of improved synthesis strategies for amorphous SiBCN ceramics is essential to their service as high-temperature structural materials for engineering applications. Herein, we report the successful fabrication of high-density (2.26 g/cm3) and oxidation-resistant amorphous SiBCN ceramics through a synergistic approach combining spark plasma sintering (SPS) and polymer-derived vacuum pyrolysis. Comprehensive characterization revealed that the optimized processing route significantly reduced open porosity to 2.39 % while enhancing the graphitization transition of free carbon and constructing a complex C-B-N 3D network structure. These microstructural improvements effectively suppressed oxidation activity and crystallization propensity. Notably, the vacuum-pyrolyzed SiBCN ceramics exhibited outstanding high-temperature oxidation resistance, with a minimal mass change of 1.17 mg/cm2 and the formation of a dense, intact oxide layer. Kinetic analysis indicated an oxidation rate constant of 40.2 μm2/h, which was significantly reduced by 87.8 % compared to the argon-pyrolyzed counterpart (330.7 μm2/h). This improvement was attributed to the synergistic effects of graphitization-induced barrier formation and enhanced network connectivity in the C-B-N architecture. These findings highlight the critical role of vacuum pyrolysis in tailoring microstructural features for superior oxidation resistance and thermal stability. The proposed synthesis methodology provides a novel framework for developing high-performance ceramic materials with tailored properties for extreme environment applications. © 2025

关键词： High temperature applications

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An SPH model reconstruction framework with fragment mapping method for multiplate structure hypervelocity impact simulation

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Advances in Space Research 2025年第11期75卷 8140-8157页

作者： Cao, Xu Zhou, Jianqiu Xu, Huadong Song, Di Miao, Changqing National Key Laboratory of Science and Technology on Advanced Composites in Special Environment Harbin Institute of Technology Harbin150001 China School of Basic Medical Sciences Harbin Medical University Harbin150001 China School of Mechanical and Electrical Engineering University of Electronic Science and Technology of China Sichuan Chengdu611731 China

Smoothed Particle Hydrodynamics (SPH) method is widely used in hypervelocity impact analysis, but it is computationally inefficient for common multiplate structures, such as multi-shock, mesh double-bumper, and stuffed shields. To improve the efficiency and accuracy of the SPH method, a reconstruction framework is proposed, including a fragment identification method, a fragment mapping method, and a sequential modeling and simulation approach. In the reconstruction framework, the total impact simulation of a multiplate structure consisting of n plates is decomposed into n individual impacts on each plate. To reduce the computation for each impact, a fragment identification method and a fragment mapping method are developed. Fragments generated from the impact with the i-th plate (i © 2025 COSPAR

关键词： 3D reconstruction

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Grain growth kinetics and densification mechanism of(TiZrHfVNbTa)C high-entropy ceramic under pressureless sintering

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Journal of Materials science & technology 2022年第15期110卷 57-64页

作者： Wen Zhang Lei Chen Chenguang Xu Xuming Lv Yujin Wang Jiahu Ouyang Yu Zhou School of Materials Science and Engineering Institute for Advanced CeramicsHarbin Institute of TechnologyHarbin 150001China National Key Laboratory of Science and Technology on Advanced Composites in Special Environment Harbin Institute of TechnologyHarbin 150001China Science and Technology on Particle Transport and Separation Laboratory Tianjin 300180China

The grain growth kinetics and densification mechanism of(TiZrHfVNbTa)C high-entropy carbide ceramic are investigated in this work.A single phase carbide with a rock-salt structure is formed until 2300°C,below which an apparent aggregation of V,Zr and Hf *** is associated with the slow diffusion rate of V element as well as the relatively poor solubility of VC in HfC(as well as ZrC).The grain growth mechanism gradually changes from surface diffusion to volume diffusion and then grain boundary diffusion with increasing sintering *** is attributed to the variation of activation energy of grain *** densification mechanism is principally dominated by the mass transport through lattice diffusion with the activation energy of 839±53 k J/*** the design of two-step sintering,it is verified that the solid solution formation can effectively promote the densification process.

关键词： High-entropy carbide ceramic Pressureless sintering Grain growth kinetics Densification mechanism

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Multifunctional diamond-based catalysts:Promising candidates for energy conversions in extreme environments-A mini-review

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Electron 2024年第3期2卷 70-84页

作者： Ziwei Zhao Xiaowu Gao Hansong Zhang Keran Jiao Pengfei Song Yumin Zhang Yongjie Wang Jiaqi Zhu Guangdong Provincial Key Laboratory of Semiconductor Optoelectronic Materials and Intelligent Photonic Systems Shenzhen Key Laboratory of Advanced Functional Carbon Materials Research and Comprehensive ApplicationHarbin Institute of TechnologyShenzhenChina National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbinChina Department of Chemical Engineering The University of ManchesterManchesterUK School of Advanced Technology Xi'an Jiaotong-Liverpool UniversitySuzhouChina Zhengzhou Research Institute Harbin Institute of TechnologyZhengzhouChina

In order to properly utilize the abundant CO_(2)and water resources,various catalytic materials have been developed to convert them into valuable chemicals as renewable fuels electrochemically or ***,most studies are conducted under mild laboratory conditions,but for some extreme environments,such as Mars and space stations,there is an urgent need to develop new catalysts satisfying such special *** catalytic materials mainly focus on metals and narrow bandgap semiconductor materials,while the research on wide and ultrawide bandgap materials that can inherently withstand extreme conditions has not received enough *** the robust stability and excellent physico-chemical properties of diamond,it can be expected to perform in harsh environments for electrocatalysis or photocatalysis that has not been investigated ***,this review summarizes the catalytic functionality of diamond-based electrodes with various but tunable product selectivity to obtain the varied C_(1)or C_(2+)products,and discusses some important factors playing a key role in manipulating the catalytic ***,the unique solvation electron effect of diamond gives it a significant advantage in photocatalytic conversions which is also summarized in this *** the end,prospects are made for the application of diamond-based catalysts under various extreme *** challenges that may be faced in practical applications are also summarized and future breakthrough directions are proposed at the end.

关键词： CO_(2)catalytic reduction diamond extreme environment functionality renewable energy

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