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From impurity ingress to high-performance doping: A perspective on atom probe tomography in energy materials
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-19 DOI: 10.1016/j.scriptamat.2025.116648
Baptiste Gault , Leonardo Shoji Aota , Mathias Krämer , Se-Ho Kim
{"title":"From impurity ingress to high-performance doping: A perspective on atom probe tomography in energy materials","authors":"Baptiste Gault ,&nbsp;Leonardo Shoji Aota ,&nbsp;Mathias Krämer ,&nbsp;Se-Ho Kim","doi":"10.1016/j.scriptamat.2025.116648","DOIUrl":"10.1016/j.scriptamat.2025.116648","url":null,"abstract":"<div><div>In this perspective article, we illustrate how advanced characterization, particularly atom probe tomography (APT), is crucial for detecting trace impurities, which can significantly affect a material's true properties. Drawing examples from studies focused on nanoelectrocatalysts, we show how contaminants can instead be turned into dopants to tune functionality. We then showcase how these concepts extend into other materials systems, including bulk thermoelectrics and 2D materials. Quantifying the distribution of impurities is critical for advancing the rational design of sustainable, next-generation materials, particularly as recycled, impurity-rich feedstocks will become the norm in a circular materials economy.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116648"},"PeriodicalIF":5.3,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Convolutional neural network for automated quantitative analysis of non-destructively acquired three-dimensional corrosion pit morphology data
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-19 DOI: 10.1016/j.scriptamat.2025.116660
Kasturi Narasimha Sasidhar, Rohan Ahuja, Carson Lukas, Kumar Sridharan
{"title":"Convolutional neural network for automated quantitative analysis of non-destructively acquired three-dimensional corrosion pit morphology data","authors":"Kasturi Narasimha Sasidhar,&nbsp;Rohan Ahuja,&nbsp;Carson Lukas,&nbsp;Kumar Sridharan","doi":"10.1016/j.scriptamat.2025.116660","DOIUrl":"10.1016/j.scriptamat.2025.116660","url":null,"abstract":"<div><div>We have trained an autoencoder-decoder type convolutional neural network for automated quantitative analysis of three-dimensional corrosion-pit morphology data. We have used pit morphology data, acquired non-destructively using scanning white light interferometry from AISI 304 stainless steel specimens subjected to different surface modification treatments, followed by potentiodynamic polarization corrosion testing. The autoencoder was designed to compress the high-dimensional input pit morphology data into a latent space of two variables, from which the decoder produces reconstructions of the input data. Analysis of the compressed data in the latent space led to the identification of a unique vector which encompassed most of the data points. Application of the model to artificially constructed semi-ellipsoidal pits with independently quantifiable morphological characteristics showed that the vector was analogous to ‘effective sharpness’ of pits, helping define a ‘sharpness/bluntness’ metric for arbitrarily shaped corrosion pits, that can be linked to their propensity to transition into stress corrosion cracks.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116660"},"PeriodicalIF":5.3,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Reactive synthesis and ultrafast sintering of refractory compositionally complex alloy-carbide composites
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-19 DOI: 10.1016/j.scriptamat.2025.116654
Sashank Shivakumar , Jingjing Yang , Jian Luo
{"title":"Reactive synthesis and ultrafast sintering of refractory compositionally complex alloy-carbide composites","authors":"Sashank Shivakumar ,&nbsp;Jingjing Yang ,&nbsp;Jian Luo","doi":"10.1016/j.scriptamat.2025.116654","DOIUrl":"10.1016/j.scriptamat.2025.116654","url":null,"abstract":"<div><div>Refractory compositionally complex alloy (RCCA) NbMoTaW with a well-dispersed compositionally complex carbide (CCC) reinforcing secondary phase is made through high-energy ball milling (HEBM) and ultrafast high-temperature sintering (UHS). Stearic acid is used as a process control agent (PCA) for HEBM and a carbon source to form a controllable fraction (∼2–20 vol%) of CCC in-situ via reactive synthesis. Ultrahigh heating rates of ∼100 °C/s enable sintering of dense (∼92–95 % relative densities) bulk compacts of RCCA-CCC composites at ∼1850 °C in ∼70 s. With the addition of 0.1–0.75 wt% PCA, ultrafast sintering enables the formation of a favorable P<span><math><mover><mn>3</mn><mo>¯</mo></mover></math></span>m1 subcarbide CCC phase, (Nb<sub>0.37</sub>Mo<sub>0.11</sub>Ta<sub>0.39</sub>W<sub>0.13</sub>)<sub>2</sub>C. A thermodynamic model is developed to explain the observed Nb and Ta enrichments in (Nb<sub>0.37</sub>Mo<sub>0.11</sub>Ta<sub>0.39</sub>W<sub>0.13</sub>)<sub>2</sub>C. An additional rock-salt monocarbide CCC phase forms with more carbon source addition (1 wt% PCA). The well-dispersed and fine-grained CCC precipitates result in grain size refinement and a corresponding increase in hardness.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116654"},"PeriodicalIF":5.3,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polar Hopf rings emerge in antiferroelectrics
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-19 DOI: 10.1016/j.scriptamat.2025.116649
Ke Xu , Shouzhe Dong , Huayu Yang , Changqing Guo , Deshan Liang , Jing Wang , Houbing Huang
{"title":"Polar Hopf rings emerge in antiferroelectrics","authors":"Ke Xu ,&nbsp;Shouzhe Dong ,&nbsp;Huayu Yang ,&nbsp;Changqing Guo ,&nbsp;Deshan Liang ,&nbsp;Jing Wang ,&nbsp;Houbing Huang","doi":"10.1016/j.scriptamat.2025.116649","DOIUrl":"10.1016/j.scriptamat.2025.116649","url":null,"abstract":"<div><div>Hopfions are widely involved in topology, group theory, optics, etc. Recently Hopfion rings have been successfully characterized in a magnet, which makes them promising objects for electronic information applications. Here, we reveal that high-density polar transitions at domain boundaries are a condition for topological domain generation. Based on this, we investigate polar Hopf rings in the incommensurate antiferroelectric, which consist of two intertwined vortices and are mathematically equivalent to a<span><math><mrow><mspace></mspace><msubsup><mn>2</mn><mn>1</mn><mn>2</mn></msubsup><mspace></mspace></mrow></math></span>link in topology. The superposition of three-dimensional high-frequency polar waves with different orientations at domain boundaries is responsible for the stability of polar Hopf rings. Furthermore, we demonstrate the reversible switching between polar Hopf rings and trivial domain by an electron beam. Our findings of atomic-scale Hopf rings may provide direction for the design of next-generation high-density electronic information devices.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116649"},"PeriodicalIF":5.3,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Size effects of topological vortex domain in BiFeO3 nanoisland by phase-field simulations
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-18 DOI: 10.1016/j.scriptamat.2025.116633
Shiyu Tang , Changqing Guo , Jing Wang , Houbing Huang
{"title":"Size effects of topological vortex domain in BiFeO3 nanoisland by phase-field simulations","authors":"Shiyu Tang ,&nbsp;Changqing Guo ,&nbsp;Jing Wang ,&nbsp;Houbing Huang","doi":"10.1016/j.scriptamat.2025.116633","DOIUrl":"10.1016/j.scriptamat.2025.116633","url":null,"abstract":"<div><div>Bismuth ferrite nanoislands offer unique advantages in ferroelectric applications due to their ability to form stable topological vortex domains, which are crucial for advanced device designs. These vortex domains, driven by topological properties, hold significant potential for enhancing non-volatile memory and energy storage applications. In this study, we systematically investigate the effects of three key geometric factors—height, length-to-height ratio, and slope—on the stability of vortex domains using phase-field simulations. Our results demonstrate that larger length-to-height ratios, higher slopes, and smaller heights promote the formation and stability of vortex domains. Conversely, negative slopes hinder vortex formation, but increasing the length-to-height ratio compensates for this effect, stabilizing switchable vortex domains. A phase diagram is constructed to illustrate the combined influence of these three parameters, identifying conditions that favor vortex stability. These findings provide valuable insights into the geometric design of ferroelectric nanoislands with tailored topological domain structures, which could significantly impact the development of next-generation ferroelectric devices and logic units based on topological vortex configurations.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116633"},"PeriodicalIF":5.3,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642460","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Improving deformability of brittle intermetallics via introducing mobile dislocations across coherent interfaces
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-16 DOI: 10.1016/j.scriptamat.2025.116638
Ke Xu , Anand Mathew , Zhongxia Shang , Yifan Zhang , Chao Shen , Benson Kunhung Tsai , Jianan Shen , Haiyan Wang , Xinghang Zhang
{"title":"Improving deformability of brittle intermetallics via introducing mobile dislocations across coherent interfaces","authors":"Ke Xu ,&nbsp;Anand Mathew ,&nbsp;Zhongxia Shang ,&nbsp;Yifan Zhang ,&nbsp;Chao Shen ,&nbsp;Benson Kunhung Tsai ,&nbsp;Jianan Shen ,&nbsp;Haiyan Wang ,&nbsp;Xinghang Zhang","doi":"10.1016/j.scriptamat.2025.116638","DOIUrl":"10.1016/j.scriptamat.2025.116638","url":null,"abstract":"<div><div>Intermetallics are generally brittle at room temperature, severely limiting their applications. Using CoAl 100 nm/Fe 10 nm nanolaminate as a model system, we demonstrate a strategy for improving deformability of brittle intermetallics via introducing mobile dislocations across coherent interfaces. High-density pre-existing mobile dislocations are introduced into Fe layers via ion peening. <em>In situ</em> micropillar compression tests show the model system has high yield strength, 3.5 GPa, and sustainable work hardening to 5 GPa with substantial uniform plastic deformation, exhibiting superior strength-deformability synergy. Transmission electron microscopy studies reveal the mobile dislocations continuously propagate from Fe into CoAl across the coherent interface, accommodating the considerable plastic deformation. This study provides a fresh perspective for enhancing room temperature plasticity in a wide range of brittle materials.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116638"},"PeriodicalIF":5.3,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Early stage strain localization at grain boundaries during fatigue studied using in situ electron channeling contrast imaging and high-resolution electron backscattered diffraction
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-14 DOI: 10.1016/j.scriptamat.2025.116647
Yang Su, Josh Kacher
{"title":"Early stage strain localization at grain boundaries during fatigue studied using in situ electron channeling contrast imaging and high-resolution electron backscattered diffraction","authors":"Yang Su,&nbsp;Josh Kacher","doi":"10.1016/j.scriptamat.2025.116647","DOIUrl":"10.1016/j.scriptamat.2025.116647","url":null,"abstract":"<div><div><em>In situ</em> high-resolution electron backscattered diffraction is combined with electron channeling contrast imaging to study the interactions of dislocations and associated stress fields near grain boundaries in austenitic stainless steel 316L samples at the early stages of fatigue. The influence of fatigue stress amplitude on strain irreversibilities at grain boundaries was also investigated. It was found that dislocation pile-ups formed at 150 or 220 MPa are fully or partially released by reversing the loading direction, and the stress fields associated with those pile-ups are also fully or partially reversible between maximum tension and compression. In contrast, the dislocation networks formed at 300 MPa remain stable and irreversible. The cause of irreversibility at 150 MPa and 220 MPa was found to be dislocation debris generated by reversible dislocation glide, while at 300 MPa the irreversibility is mainly a result of tangles formed by multiple slip systems intersecting each other.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116647"},"PeriodicalIF":5.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chloride-induced stress corrosion crack propagation mechanisms in austenitic stainless steel are mechanically driven
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-14 DOI: 10.1016/j.scriptamat.2025.116652
Ronit Roy , Haozheng J. Qu , Keyou S. Mao , Janelle P. Wharry
{"title":"Chloride-induced stress corrosion crack propagation mechanisms in austenitic stainless steel are mechanically driven","authors":"Ronit Roy ,&nbsp;Haozheng J. Qu ,&nbsp;Keyou S. Mao ,&nbsp;Janelle P. Wharry","doi":"10.1016/j.scriptamat.2025.116652","DOIUrl":"10.1016/j.scriptamat.2025.116652","url":null,"abstract":"<div><div>The objective of this study is to understand the mechanical aspects of chloride-induced stress corrosion cracking (CISCC) in austenitic stainless steel. CISCC is a critical degradation mode in austenitic stainless steel, so understanding its mechanisms is essential for predicting material integrity and lifetime. Here, CISCC is studied by transmission Kikuchi diffraction and transmission electron microscopy for two cases: propagation into a lower Schmid factor grain and a higher Schmid factor grain. The evolution of deformation fields near the crack-tip is estimated through local misorientations and geometrically necessary dislocations, and are more severe in the lower Schmid factor grain. In both grain types, cross slips are distributed closer to the crack, while co-planar slips appear away from the crack, revealing consistent crack-tip deformations. Strain-induced α’-martensite transformations occur in the higher Schmid factor grain. These results imply that grain texture can be used to predict and mitigate CISCC propagation in austenitic stainless steel.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116652"},"PeriodicalIF":5.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Significant austenite decomposition during slow heating of cold-rolled medium Mn steel with a high fraction of pre-existing austenite
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-13 DOI: 10.1016/j.scriptamat.2025.116636
Saeed Sadeghpour , Roohallah Surki Aliabad , Shubo Wang , Vahid Javaheri , Harishchandra Singh , Mahesh Somani , Dong-Woo Suh , Pentti Karjalainen , Jukka Komi
{"title":"Significant austenite decomposition during slow heating of cold-rolled medium Mn steel with a high fraction of pre-existing austenite","authors":"Saeed Sadeghpour ,&nbsp;Roohallah Surki Aliabad ,&nbsp;Shubo Wang ,&nbsp;Vahid Javaheri ,&nbsp;Harishchandra Singh ,&nbsp;Mahesh Somani ,&nbsp;Dong-Woo Suh ,&nbsp;Pentti Karjalainen ,&nbsp;Jukka Komi","doi":"10.1016/j.scriptamat.2025.116636","DOIUrl":"10.1016/j.scriptamat.2025.116636","url":null,"abstract":"<div><div>In-depth analysis of phase transformations during continuous heating (2.4 °C/s) of 50 % cold-rolled Fe-6Mn-2Al-1Si-0.4C (wt.%) steel with 32 % pre-existing austenite was conducted using in-situ high-energy synchrotron X-ray diffraction and microstructural characterisation. Significant austenite decomposition was found to occur in two stages between 226 and 530 °C and 530–600 °C, involving bainitic transformation and cementite precipitation, respectively, reducing the austenite fraction to 17.5 %. Lattice parameter changes suggested C enrichment in austenite during bainite formation and C and Mn depletion during precipitation. The austenite fraction increased around 650 °C, yielding 8 % new austenite by 680 °C in ∼40 s and 7 % during isothermal holding at 680 °C for 600 s. A further 3 % decrease during cooling, presumably due to pearlite formation, resulted in a final austenite fraction of 29.5 %, slightly below the initial level but further enriched in C and Mn. These findings provide insights into austenite evolution during thermal processing of cold-rolled medium Mn steels.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116636"},"PeriodicalIF":5.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Role of the third composition and its A-site cation off-centering mechanism in ternary BiFeO3‒BaTiO3-based piezoelectric ceramics
IF 5.3 2区 材料科学
Scripta Materialia Pub Date : 2025-03-13 DOI: 10.1016/j.scriptamat.2025.116637
Hyunwook Nam , Sangwook Kim , Ichiro Fujii , Motoki Aruga , Shintaro Ueno , Yoshihiro Kuroiwa , Satoshi Wada
{"title":"Role of the third composition and its A-site cation off-centering mechanism in ternary BiFeO3‒BaTiO3-based piezoelectric ceramics","authors":"Hyunwook Nam ,&nbsp;Sangwook Kim ,&nbsp;Ichiro Fujii ,&nbsp;Motoki Aruga ,&nbsp;Shintaro Ueno ,&nbsp;Yoshihiro Kuroiwa ,&nbsp;Satoshi Wada","doi":"10.1016/j.scriptamat.2025.116637","DOIUrl":"10.1016/j.scriptamat.2025.116637","url":null,"abstract":"<div><div>Ternary BiFeO<sub>3</sub>‒BaTiO<sub>3</sub> (BFBT)-based ceramics often exhibit a higher piezoelectricity compared to binary BFBT ceramics. However, the origin of the enhanced piezoelectricity in ternary ceramics remains unclear. In this study, we investigated the role of the third composition by examining the pseudo-cubic symmetry of Bi(Mg<sub>0.5</sub>Ti<sub>0.5</sub>)O<sub>3</sub> (BMT)-modified BFBT piezoelectric ceramics using high-energy synchrotron radiation X-ray diffraction and the Rietveld method. Our experimental results validate the critical influence of Bi ion off-centering displacement, as the largest Bi ion off-centering displacement at a specific third composition demonstrates the highest piezoelectric properties. The displacement of Bi ions varies with the Bi-O covalent bond length and repulsive interactions between the off-centered Bi and B-site cations. This study highlights the importance of the ionic radii of the B-site cations in the third composition for high-performance BFBT-based piezoelectric ceramics.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"262 ","pages":"Article 116637"},"PeriodicalIF":5.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143619446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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