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3DStrainOrientationCalculator: a 3D diffraction data analysis tool for single-crystal substructure information extraction

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Journal of Applied Crystallography 2025年第3期58卷 1050-1060页

作者： Pucong Sheng Shengyi Zhong Arsen Goukassov Baihua Wang Hao Lin Nan Li Wei Huang Shanghai Jiao Tong University SJTU Paris Elite Institute of Technology Shanghai 200240 People's Republic of China Shanghai Jiao Tong University School of Materials Science and Engineering Shanghai 200240 People's Republic of China National Key Laboratory of Neutron Science and Technology Shanghai People's Republic of China CEA-CNRS CE-Saclay Laboratoire Léon Brillouin Gif-sur-Yvette 91191 France AECC Beijing Institute of Aeronautical Materials Beijing People's Republic of China Beijing Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing People's Republic of China Aero Engine Corporation of China Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing People's Republic of China HiSilicon Technologies Co. Ltd Shanghai 201206 People's Republic of China

Neutron diffraction is a crucial non-destructive technique for obtaining statistical information on the bulk properties of engineering materials. The program 3DStrainOrientationCalculator ( 3DSOC ) is an innovative analytical tool designed to extract substructure information, including lattice strain and subgrain orientation, from single crystals (SCs) using monochromatic neutron diffractometer data. By separating subgrain diffraction via rocking curve analysis and employing 2D curve fitting on original diffraction data, 3DSOC accurately determines the diffraction intensity of individual subgrains while minimizing the impact of scanning step size on the final fitting results. It reduces the standard deviation of the fitting result's statistical error from the order of 10 −3 to around 10 −5 . Additionally, 3DSOC extends its capabilities to the analysis of dual-phase SCs, where the lattice parameters of both phases are maintained with an accuracy of 10 −4 nm, comparable to conventional methods. This study applies 3DSOC to SiC SCs and Ni-based SC superalloys, measured using two different diffractometers, and discusses the resulting improvements.

关键词： neutron diffraction 3DSOC single-crystal studies subgrain properties two-dimensional curve fitting computer programs

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Influence of quasi-beta heat treatment on acoustic behaviors of ultrasonic inspection of TC4-DT alloy

Influence of quasi-beta heat treatment on acoustic behaviors...

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2020 IEEE Far East Forum on Nondestructive evaluation/testing: New technology and Application, FENDT 2020

作者： Gao, Xiang-Xi Wu, Su-Jun Tao, Chun-Hu Beijing China AECC Beijing Institute of Aeronautical Materials Beijing China Beijing Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing China Aviation Key Laboratory of Science and Technology on Aeronautical Materials Testing and Evaluation Beijing China

ISBN: (纸本)9781665440820

The microstructure and microtexture of TC4-DT alloy before and after quasi-β heat treatment are investigated, as well as the influence on the acoustic behaviors of ultrasonic inspection. C-scan ultrasonic images are obtained to investigate the evolution of microstructure confirmed by metallography and electron backscatter diffraction (EBSD) analysis. Noise level and signal-to-noise ratio (SNR) of ultrasonic inspection are also quantitatively verified. The results show that when TC4-DT alloy undergoes quasi-β heat treatment, attenuation and scattering of acoustic energy is significantly different. During this process, the scattering mechanism of acoustic changes from Rayleigh scattering to Phase scattering, which is mainly controlled by the grain size. Under the same scattering mechanism with the uniform average grain size, however, the regions of a-phase crystallites with a certain orientation contribute to the scattering of the acoustic wave. This finding is helpful for estimating ultrasonic inspection ability of large components. © 2020 IEEE.

关键词： Heat treatment

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3D printed pore morphology mediates bone marrow stem cell behaviors via RhoA/ROCK2 signaling pathway for accelerating bone regeneration

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Bioactive materials 2023年第8期26卷 413-424页

作者： Qiji Lu Jingjing Diao Yingqu Wang Jianlang Feng Fansen Zeng Yan Yang Yudi Kuang Naru Zhao Yingjun Wang School of Materials Science and Engineering South China University of TechnologyGuangzhou510641PR China National Engineering Research Center for Tissue Restoration and Reconstruction South China University of TechnologyGuangzhou510006PR China NMPA Key Laboratory for Research and Evaluation of Innovative Biomaterials for Medical Devices.Guangzhou 510006PR China Medical Devices Research&Testing Center of SCUT Guangzhou510006PR China School of Biomedical Sciences and Engineering South China University of TechnologyGuangzhou International CampusGuangzhou511442PR China Guangdong Institute of Advanced Biomaterials and Medical Devices Guangzhou510535PR China

Bone bionics and structural engineering have sparked a broad interest in optimizing artificial scaffolds for better bone ***,the mechanism behind scaffold pore morphology-regulated bone regeneration remains unclear,making the structure design of scaffolds for bone repair *** address this issue,we have carefully assessed diverse cell behaviors of bone mesenchymal stem cells(BMSCs)on theβ-tricalcium phosphate(β-TCP)scaffolds with three representative pore morphologies(i.e.,cross column,diamond,and gyroid pore unit,respectively).Among the scaffolds,BMSCs on theβ-TCP scaffold with diamond pore unit(designated as D-scaffold)demonstrated enhanced cytoskeletal forces,elongated nucleus,faster cell mobility,and better osteogenic differentiation potential(for example,the alkaline phosphatase expression level in D-scaffold were 1.5-2 times higher than other groups).RNA-sequencing analysis and signaling pathway intervention revealed that Ras homolog gene family A(RhoA)/Rho-associated kinase-2(ROCK2)has in-depth participated in the pore morphology-mediated BMSCs behaviors,indicating an important role of mechanical signaling transduction in scaffold-cell ***,femoral condyle defect repair results showed that D-scaffold could effectively promote endogenous bone regeneration,of which the osteogenesis rate was 1.2-1.8 times higher than the other ***,this work provides insights into pore morphology-mediated bone regeneration mechanisms for developing novel bioadaptive scaffold designs.

关键词： Bone mesenchymal stem cells 3D-printed scaffold Pore morphology Bone regeneration Structure-osteogenesis relationship

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Enhanced buried interface behaviors for high-performance Sn-Pb perovskite solar cells

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Journal of Energy Chemistry 2025年 108卷 605-613页

作者： Jiang, Peng Gao, Qinfei Zhu, Jingwei You, Jiayu Qu, Junyu Jiao, Wenbo Wu, Shenghan Xu, Yuliang Xu, Yuan Wang, Wenwu Ren, Shengqiang Xi, Herui Yao, Canglang Xiao, Chuanxiao Chen, Cong Zhao, Dewei College of Materials Science and Engineering & Engineering Research Center of Alternative Energy Materials & Devices Ministry of Education Sichuan University Sichuan Chengdu610065 China Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Zhejiang Ningbo315201 China Ningbo New Materials Testing and Evaluation Center Co. Ltd. Zhejiang Ningbo315201 China Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Fudan University Shanghai200433 China

Numerous defects at the buried interface of perovskite film and the exacerbated oxidation and degradation of tin-lead (Sn-Pb) perovskites induced by poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS), due to its hygroscopic and acidic nature, limit performance improvement of Sn-Pb perovskite solar cells (PSCs). To address these issues, 1-Ethyl-3-Guanidinothiourea-Hydrochloride (EGH) was employed as a multifunctional modifier at the PEDOT:PSS/perovskite interface to regulate the buried interface behaviors of Sn-Pb PSCs. EGH can not only passivate the defects of the perovskite buried interface and regulate the work function of PEDOT:PSS for a more matched interface energy level, but also prevent the perovskite film from erosion damage by the acidic PEDOT:PSS for a more stable PEDOT:PSS/perovskite interface. Moreover, the interfacial charge transport dynamics were significantly improved by obviously suppressing interfacial non-radiative recombination losses. As a consequence, EGH-tailored 1.25 eV Sn-Pb PSCs yielded a champion PCE of 23.20%, featuring enhanced long-term stability. © 2025 science Press and Dalian Institute of Chemical Physics, Chinese Academy of sciences

关键词： Lead alloys

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Predicting New Single/Multiphase Structure High Entropy Alloys by Pattern Recognition Network

SSRN

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SSRN 2022年

作者： Wang, Jiayu Liu, Ke Li, Xing Shi, Ruya Guo, Xuan Tian, Wenhan Yu, Huichen Wu, Su Jun School of Materials Science and Engineering Beihang University Beijing100191 China Science and Technology on Advanced High Temperature Structural Materials Laboratory AECC Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing Institute of Aeronautical Materials Beijing100095 China Intl. Research Center for Advanced Structural and Biomaterials China

The phase structures of a dataset of 634 set high entropy alloys (HEAs) were predicted by machine learning methods and classified into four categories: bcc, fcc, bcc+fcc and others (containing intermetallic compounds and other structural alloys). The algorithm was a Pattern Recognition Network (PRN) using the cross-entropy as loss function, which could predict the phase formation probability of HEAs. The PRN algorithm was proved to be over 87% accurate on the test data. With the increase of Al content in AlxCoCu6Ni6Fe6 and AlxCoCrCuNiFe HEAs, the transformation from fcc to fcc+bcc and then to bcc structure was successfully predicted by the PRN algorithm. Meanwhile, the AlxCoCu6Ni6Fe6 (x=1,3,6,9) HEAs were also prepared and characterized, the experimental results showed that the phase structures were highly consistent with the prediction. © 2022, The Authors. All rights reserved.

关键词： Phase structure

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Multi-interface modification induced crack deflection behavior and enhanced fracture resistance in thermal barrier coatings

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Journal of Alloys and Compounds 2025年 1031卷

作者： Li, Qicheng Cui, Xiufang Jing, Yongzhi Xu, Wei Wang, Yi Chen, Zhuo Zhang, Zhijia Fang, Yongchao Shang, Tong Jin, Guo Institute of Surface/Interface Science and Technology Key Laboratory of Superlight Material and Surface Technology of Ministry of Education College of Material Science and Chemical Engineering Harbin Engineering University Harbin150001 China Northwest Institute for Nonferrous Metal Research Xi an710016 China The Military Industry Program Evaluation Center of Costind of SASTIND Beijing100048 China No.703 Research Institute China State Shipbuilding Co. Ltd Harbin150078 China Aviation Key Laboratory of Science and Technology on Advanced Corrosion and Protection for Aviation Material Beijing Beijing Institute of Aeronautical Materials Beijing100095 China

Conventional thermal barrier coatings (TBCs) composed of yttria-stabilized zirconia (YSZ) ceramic top layers and MCrAlY (M = Ni, Co, or their combination) alloy bond coats are prone to brittle fracture and interfacial delamination under extreme thermo-mechanical-chemical coupled *** study develops a composite-toughened thermal barrier coating (TBC) system integrating three innovations: laser-modified SiC whisker-reinforced YSZ-WL ceramic layers, a novel NiCoCrFeAl0.8Si0.1(NbMoTaW)0.1 high-entropy alloy bond coat, and hoop-patterned laser-textured interfaces. Compared to conventional TBC1 (NiCoCrAlY/YSZ), the optimized TBC3 demonstrates 64.3 % higher interfacial strength, survives 150 thermal shock cycles at 1100°C (20 % spallation area), and shows 61.43 % lower erosion mass loss post-thermal cycling. The YSZ-WL layer reduces cyclic molten salt corrosion mass loss by 22.58 % versus *** advancements highlight the synergistic effects of whisker toughening (crack deflection/bridging), high-entropy alloy bond coats (suppressed TGO growth), and hoop-textured interfaces (guided crack propagation), establishing a groundbreaking strategy for extreme-environment TBC applications. © 2025 Elsevier B.V.

关键词： Brittle fracture

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Research progress on microstructure characterization of silicon carbide fibers 2

Research progress on microstructure characterization of sili...

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2021 2nd International Conference on Mechanical Engineering and materials, ICMEM 2021

作者： Zhang, Xingjian Cai, Zixi Fan, Jinjuan Liu, Changkui Ye, Jinfa AECC Beijing Institute of Aeronautical Materials Aviation Key Laboratory of Science and Technology on Materials Testing and Evaluation Beijing100095 China Northwestern Polytechnical University Queen Mary University of London Engineering School NPU Xi'an710129 China Fujian LEADASIA New Material Limited Company Fujian Quanzhou362000 China

Ceramic matrix composites have excellent properties such as high temperature resistance and oxidation resistance, and have good application prospects in the hot end parts of engines. In ceramic matrix composites, the microstructure composition of silicon carbide fibers determines their macroscopic properties. Therefore, this article takes silicon carbide fiber as the research object, summarizes the existing SiC fibers structure, composition, and morphology characterization methods, compares the development and advantages and disadvantages of XRD, SEM, TEM and other testing equipment analysis, and proposes The problems of sample preparation, surface defects and internal structure changes in the microstructure characterization of silicon carbide fibers are discussed, which provides a reference for the preparation of high-performance SiC fibers and the improvement of their characterization work. © 2021 Institute of Physics Publishing. All rights reserved.

关键词： Microstructure

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Mirror aided ultrasonic testing of the bonding interface of dual-alloy blisk through the bore

Mirror aided ultrasonic testing of the bonding interface of ...

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2020 IEEE Far East Forum on Nondestructive evaluation/testing: New technology and Application, FENDT 2020

作者： Sha, Zheng-Xiao Gang, Tie Liang, Jing Han, Bo State Key Laboratory of Advanced Welding and Joining Harbin Institute of Technology Harbin China AECC Beijing Institute of Aeronautical Materials Beijing China Beijing Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing China Key Laboratory of Science and Technology on Aeronautical Materials Testing and Evaluation Aero Engine Corporation of China Beijing China

ISBN: (纸本)9781665440820

Welded dual-alloy blisks have found more and more applications in aeroengines for their excellent high temperature performance. However, defects may develop within the bonding interface and threat the safety of the engine. In this paper, the ultrasonic testing of the bonding interface was investigated in the dual-alloy blisk with a small bore. Aided by a 90 degrees mirror, the longitudinal wave was introduced to the interface. Simulations and theoretical analyses were performed to explain the propagating behavior of the sound beam upon the strongly curved surface. It was observed when the focus of the probe approaches a certain point, the beam distortion was compensated under 'acoustic lens effect'. The cylindrical focused probe was found to give better performance than flat probes and spherical focused probes in terms of sensitivity and resolution. The experiments on a mock-up sample showed that 0.8mm FBH and Φ0.4mm SDH at the bonding interface were detectable with a 15MHz cylindrical focused probe. © 2020 IEEE.

关键词： Probes

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Melamine sponge loaded anionic covalent organic framework by sodium alginate cross-linking for selective dye removal with high adsorption capacity and reusability

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International Journal of Biological Macromolecules 2025年 313卷 144358页

作者： Zhu, Yaqin Liu, Yanbo Xue, Sen Yang, Haoqi Han, Xiaoshuai Zhang, Chunmei Duan, Gaigai Huang, Yong Mao, Haimei Ma, Chunxin Jiang, Shaohua Jiangsu Co-Innovation Center of Efficient Processing and Utilization of Forest Resources International Innovation Center for Forest Chemicals and Materials College of Materials Science and Engineering Nanjing Forestry University Nanjing210037 China State Key Laboratory of New Textile Materials and Advanced Processing Technologies School of Textile Science and Engineering Wuhan Textile University Wuhan430200 China College of Electrical Energy and Power Engineering Institute of Technology for Carbon Neutralization Yangzhou University Jiangsu Yangzhou225127 China Institute of Materials Science and Devices School of Materials Science and Engineering Suzhou University of Science and Technology Suzhou215009 China Key Laboratory of Quality Safe Evaluation and Research of Degradable Material State Administration for Market Regulation Hainan Academy of Inspection and Testing Hainan Haikou570203 China

Ionic dyes are widely used and emitted in large quantities by modern industries. It is of great importance to develop efficient and practical adsorbent materials for the removal of such pollutants. Ionic covalent organic frameworks (COFs) with charged pore environments and stable backbone structures are excellent candidates for dye adsorbents. To improve the drawbacks of COF powder, which is not easy to be recycled and prone to secondary pollution, we report an effective strategy to prepare the composite material by immobilizing dispersed anionic COF on melamine foam sponge (MF@COF). Sodium alginate cross-linking method is developed as a powerful combination of COF and MF, with no powder falling off during adsorption. The composite material can quickly adsorb dyes, and the removal rate of cationic dyes can reach >99 % in 10 min;at the same time, it can selectively separate anionic dyes. The adsorption capacity of MF@COF for methylene blue (MB), crystal violet (CV), and malachite green (MG), was 947 mg g−1, 466 mg g−1 and 1689 mg g−1 in terms of the weight of COF, respectively. Compared with using the COF powder alone, the adsorption capacity of the composite material has been improved to a certain extent, with MB's adsorption capacity increasing by 6.16 %. Furthermore, MF@COF composite showed its practicality in practical water adsorption tests and could be recycled >5 times, which makes it a simple and practical adsorbent for water pollution control. © 2025 Elsevier B.V.

关键词： Water pollution control

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Effect of high temperature treatment in ar atmosphere on the tensile strength and structure of SiC fiber 2nd

Effect of high temperature treatment in ar atmosphere on the...

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2nd International Conference on Advanced materials, Processing and testing technology, AMPTT 2020

作者： Fan, Jinjuan Zhu, Qiangqiang Qi, Zhe Ye, Jinfa Beijing Institute of Aeronautical Materials Beijing100095 China Beijing Key Laboratory of Aeronautical Materials Testing and Evaluation Beijing100095 China Key Laboratory of Science and Technology on Aeronautical Materials Testing and Evaluation AECC Beijing100095 China Fujian LEADASIA new materials limited company Fujian362000 China

ISBN: (纸本)9783035737400

. The properties and structure changes of SiC fiber in high temperature determine the service temperature of the reinforced ceramic matrix composites, so the properties of SiC fibers under high temperature are very important. The SiC-A and SiC-B fibers were treated at 1200, 1350 and 1600°C in Ar atmosphere. Then the tensile strength was measured, the microstructure and composition of the fibers were analyzed by SEM, EDS, XRD and AES. The results show that the tensile strength of SiCA and SiC-B decrease slowly at 1200 and 1350°C, but decrease rapidly at 1600°C. The tensile strength of SiC-B fiber decreases less slowly than that of SiC-A fiber. The grain size and the C-enriched region thickness of SiC-A and SiC-B fibers have little change under 1200 and 1350°C, but increase quickly at 1600°C. The decrease of the tensile strength of SiC-A and SiC-B fibers is mainly related to the growth of β-SiC grains. © 2021 Trans Tech Publications Ltd, Switzerland.

关键词： Silicon carbide

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