Chi Zhang, Jiayue Zhou, Rui Han, Cheng Chen, Han Jiang, Xiaopeng Li, Yong Peng, Dasen Wang, Kehong Wang
Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) is a commonly used conductive polymer in organic optoelectronic devices. The conductivity and work function of the PEDOT:PSS are two important parameters that significantly determine the performance of the associated optoelectronic device. Traditionally, some solvents were doped in PEDOT:PSS solution or soaked in PEDOT:PSS film to improve its electrical conductivity, but they damaged the integrity of PEDOT:PSS and reduce the film’s work function. Herein, for the first time, we use femtosecond laser irradiation to modify the electrical conductivity and work function of PEDOT:PSS film. We proposed that the femtosecond laser irradiation could selectively remove the superficial insulative PSS, thereby improving the electrical conductivity of the film. The femtosecond laser-irradiated PEDOT:PSS film was further employed as a hole injection layer within cutting-edge perovskite light-emitting diodes (PeLEDs). A maximum luminosity of 950 cd/m2 was obtained in PeLEDs irradiated by femtosecond laser light in thin films, which is five times higher than that of the controlled device. Moreover, the external quantum efficiency of the devices was also increased from 4.6% to 6.3%. This work paved a cost-effective way to regulate the electrical properties of the PEDOT:PSS film.
{"title":"A Cost-Effective Strategy to Modify the Electrical Properties of PEDOT:PSS via Femtosecond Laser Irradiation","authors":"Chi Zhang, Jiayue Zhou, Rui Han, Cheng Chen, Han Jiang, Xiaopeng Li, Yong Peng, Dasen Wang, Kehong Wang","doi":"10.3390/cryst14090775","DOIUrl":"https://doi.org/10.3390/cryst14090775","url":null,"abstract":"Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) is a commonly used conductive polymer in organic optoelectronic devices. The conductivity and work function of the PEDOT:PSS are two important parameters that significantly determine the performance of the associated optoelectronic device. Traditionally, some solvents were doped in PEDOT:PSS solution or soaked in PEDOT:PSS film to improve its electrical conductivity, but they damaged the integrity of PEDOT:PSS and reduce the film’s work function. Herein, for the first time, we use femtosecond laser irradiation to modify the electrical conductivity and work function of PEDOT:PSS film. We proposed that the femtosecond laser irradiation could selectively remove the superficial insulative PSS, thereby improving the electrical conductivity of the film. The femtosecond laser-irradiated PEDOT:PSS film was further employed as a hole injection layer within cutting-edge perovskite light-emitting diodes (PeLEDs). A maximum luminosity of 950 cd/m2 was obtained in PeLEDs irradiated by femtosecond laser light in thin films, which is five times higher than that of the controlled device. Moreover, the external quantum efficiency of the devices was also increased from 4.6% to 6.3%. This work paved a cost-effective way to regulate the electrical properties of the PEDOT:PSS film.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"20 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ji Liu, Yunguang Zhou, Shiqi Jia, Yize Lu, Hui Zheng, Ming Li
SiC particle-reinforced Al metal matrix (SiCp/Al) composites are more and more widely used in the aerospace field due to their excellent properties, and the realization of high-quality drilling of SiCp/Al composites has an important impact on improving the performance of parts. In this paper, ultrasonic elliptical vibration-assisted helical milling (UEVHM) is applied to the machining of SiCp/Al composites. Firstly, the kinematic analysis of UEVHM is carried out, and then the cutting force model is established, which takes into account the interaction between particles and the cutting edge, and calculates the crushing force, pressing force, and debonding force of the particles. Finally, the UEVHM tests are conducted to verify the accuracy of the model and to analyze the influence of process parameters on the cutting force. It was found that the radial and axial forces decreased by 34% and 39%, respectively, when the spindle speed was increased from 2000 r/min to 10,000 r/min; the radial and axial forces increased by 200% and 172%, respectively, when the pitch increased from 0.1 mm to 0.4 mm; and the radial and axial forces increased by 29% and 69%, respectively, when the rotational speed increased from 30 r/min to 70 r/min. The maximum error between the cutting force model and the experimental values is 19.06%, which has a good accuracy. The research content of this paper can provide some guidance for the high-quality hole-making of SiCp/Al composites.
{"title":"Cutting Force Model of Ultrasonic Elliptical Vibration-Assisted Helical Milling of SiCp/Al Composites","authors":"Ji Liu, Yunguang Zhou, Shiqi Jia, Yize Lu, Hui Zheng, Ming Li","doi":"10.3390/cryst14090774","DOIUrl":"https://doi.org/10.3390/cryst14090774","url":null,"abstract":"SiC particle-reinforced Al metal matrix (SiCp/Al) composites are more and more widely used in the aerospace field due to their excellent properties, and the realization of high-quality drilling of SiCp/Al composites has an important impact on improving the performance of parts. In this paper, ultrasonic elliptical vibration-assisted helical milling (UEVHM) is applied to the machining of SiCp/Al composites. Firstly, the kinematic analysis of UEVHM is carried out, and then the cutting force model is established, which takes into account the interaction between particles and the cutting edge, and calculates the crushing force, pressing force, and debonding force of the particles. Finally, the UEVHM tests are conducted to verify the accuracy of the model and to analyze the influence of process parameters on the cutting force. It was found that the radial and axial forces decreased by 34% and 39%, respectively, when the spindle speed was increased from 2000 r/min to 10,000 r/min; the radial and axial forces increased by 200% and 172%, respectively, when the pitch increased from 0.1 mm to 0.4 mm; and the radial and axial forces increased by 29% and 69%, respectively, when the rotational speed increased from 30 r/min to 70 r/min. The maximum error between the cutting force model and the experimental values is 19.06%, which has a good accuracy. The research content of this paper can provide some guidance for the high-quality hole-making of SiCp/Al composites.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"47 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202521","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Background: Common forms of pathological crystals are uric acid or urates, which are responsible for gout, urolithiasis, and other conditions. Methods: We used a kinetic–turbidimetric crystallization assay to evaluate the effect of ten specific methylxanthines on the crystallization of monosodium urate, potassium urate, and ammonium urate in conditions that mimicked urine. We also studied the effect of different levels of 7-methylxanthine in the presence of other biological compounds (albumin and hyaluronic acid) on the solubility of monosodium urate in conditions that mimicked synovial fluid. Results: The results showed that 7-methylxanthine in the range of 16.61–49.84 mg/L inhibited the crystallization of each urate when the initial urate concentration was 3 × 10−3 M (500 mg/L) and the conditions mimicked urine, and that the greatest inhibitory effect was for monosodium urate. In addition, 7-methylxanthine at a concentration of 25 mg/L totally prevented the crystallization of monosodium urate at an initial urate concentration of 2.38 × 10−3 M (400 mg/L) in conditions that mimicked synovial fluid. Moreover, at a low concentration of 7-methylxanthine, albumin and hyaluronic acid increased this inhibitory effect. Conclusions: Our in vitro results demonstrate that 7-methylxanthine inhibits the crystallization of urates in conditions that mimic synovial fluid and urine.
{"title":"Effect of Methylxanthines on Urate Crystallization: In Vitro Models of Gout and Renal Calculi","authors":"Jaume Dietrich, Felix Grases, Antonia Costa-Bauza","doi":"10.3390/cryst14090768","DOIUrl":"https://doi.org/10.3390/cryst14090768","url":null,"abstract":"Background: Common forms of pathological crystals are uric acid or urates, which are responsible for gout, urolithiasis, and other conditions. Methods: We used a kinetic–turbidimetric crystallization assay to evaluate the effect of ten specific methylxanthines on the crystallization of monosodium urate, potassium urate, and ammonium urate in conditions that mimicked urine. We also studied the effect of different levels of 7-methylxanthine in the presence of other biological compounds (albumin and hyaluronic acid) on the solubility of monosodium urate in conditions that mimicked synovial fluid. Results: The results showed that 7-methylxanthine in the range of 16.61–49.84 mg/L inhibited the crystallization of each urate when the initial urate concentration was 3 × 10−3 M (500 mg/L) and the conditions mimicked urine, and that the greatest inhibitory effect was for monosodium urate. In addition, 7-methylxanthine at a concentration of 25 mg/L totally prevented the crystallization of monosodium urate at an initial urate concentration of 2.38 × 10−3 M (400 mg/L) in conditions that mimicked synovial fluid. Moreover, at a low concentration of 7-methylxanthine, albumin and hyaluronic acid increased this inhibitory effect. Conclusions: Our in vitro results demonstrate that 7-methylxanthine inhibits the crystallization of urates in conditions that mimic synovial fluid and urine.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"11 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yujian Shen, Zhongjie Zhu, Qingjie Xiao, Kanglei Ye, Qisheng Wang, Yue Wang, Bo Sun
Over the past few decades, significant advancements in protein crystallography have led to a steady increase in the number of determined protein structures. The X-ray diffraction experiment remains one of the primary methods for investigating protein crystal structures. To obtain information about crystal structures, a sufficient number of high-quality crystals are typically required. At present, X-ray diffraction experiments on protein crystals primarily rely on manual selection by experimenters. However, each experiment is not only costly but also time-consuming. To address the urgent need for automatic selection of the proper protein crystal candidates for X-ray diffraction experiments, a protein-crystal-quality classification network, leveraging the ConvNeXt network architecture, is proposed. Subsequently, a new database is created, which includes protein crystal images and their corresponding X-ray diffraction images. Additionally, a novel method for categorizing protein quality based on the number of diffraction spots and the resolution is introduced. To further enhance the network’s focus on essential features of protein crystal images, a CBAM (Convolutional Block Attention Module) attention mechanism is incorporated between convolution layers. The experimental results demonstrate that the network achieves significant improvement in performing the prediction task, thereby effectively enhancing the probability of high-quality crystals being selected by experimenters.
在过去几十年中，蛋白质晶体学取得了重大进展，已确定的蛋白质结构数量稳步增加。X 射线衍射实验仍然是研究蛋白质晶体结构的主要方法之一。要获得晶体结构信息，通常需要足够数量的高质量晶体。目前，蛋白质晶体的 X 射线衍射实验主要依靠实验人员手动选择。然而，每次实验不仅成本高，而且耗时长。为了满足自动选择合适的候选蛋白质晶体进行 X 射线衍射实验的迫切需要，我们提出了一种利用 ConvNeXt 网络结构的蛋白质晶体质量分类网络。随后，创建了一个新的数据库，其中包括蛋白质晶体图像及其相应的 X 射线衍射图像。此外，还引入了一种基于衍射斑点数量和分辨率的蛋白质质量分类新方法。为了进一步提高网络对蛋白质晶体图像基本特征的关注，在卷积层之间加入了 CBAM（卷积块关注模块）关注机制。实验结果表明，该网络在执行预测任务方面取得了显著的改进，从而有效提高了实验人员选择高质量晶体的概率。
{"title":"Predicting X-ray Diffraction Quality of Protein Crystals Using a Deep-Learning Method","authors":"Yujian Shen, Zhongjie Zhu, Qingjie Xiao, Kanglei Ye, Qisheng Wang, Yue Wang, Bo Sun","doi":"10.3390/cryst14090771","DOIUrl":"https://doi.org/10.3390/cryst14090771","url":null,"abstract":"Over the past few decades, significant advancements in protein crystallography have led to a steady increase in the number of determined protein structures. The X-ray diffraction experiment remains one of the primary methods for investigating protein crystal structures. To obtain information about crystal structures, a sufficient number of high-quality crystals are typically required. At present, X-ray diffraction experiments on protein crystals primarily rely on manual selection by experimenters. However, each experiment is not only costly but also time-consuming. To address the urgent need for automatic selection of the proper protein crystal candidates for X-ray diffraction experiments, a protein-crystal-quality classification network, leveraging the ConvNeXt network architecture, is proposed. Subsequently, a new database is created, which includes protein crystal images and their corresponding X-ray diffraction images. Additionally, a novel method for categorizing protein quality based on the number of diffraction spots and the resolution is introduced. To further enhance the network’s focus on essential features of protein crystal images, a CBAM (Convolutional Block Attention Module) attention mechanism is incorporated between convolution layers. The experimental results demonstrate that the network achieves significant improvement in performing the prediction task, thereby effectively enhancing the probability of high-quality crystals being selected by experimenters.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"47 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Serial femtosecond crystallography (SFX) with X-ray free-electron lasers (XFELs) has revolutionized classical X-ray diffraction experiments by utilizing ultra-short, intense, and coherent X-ray pulses. However, the SFX approach still requires thousands of nearly identical samples, leading to significant protein consumption. We propose utilizing Langmuir–Blodgett protein multilayers, which are characterized by long-range order, thermal stability, and the ability to induce protein crystallization, even in proteins that cannot be crystallized by conventional methods. This study aimed to combine the intrinsic properties of Langmuir–Blodgett multilayers with advanced XFEL techniques at the Linac Coherent Light Source. Since the macromolecule organization can be explored in nano or 2D crystals exploiting the properties of SFX–XFEL radiation that enable the capture of high-resolution diffraction images before radiation damage occurs, we propose Langmuir–Blodgett protein nanofilm technology as a novel approach for direct “on-chip” protein sample preparation. The present study extends previous investigations into Langmuir–Blodgett phycocyanin multilayer nanofilms using synchrotron radiation cryo-EM microscopy and second-order nonlinear imaging of chiral crystal (SONICC) experiments. We also examined the thermal stability of phycocyanin Langmuir–Blodgett multilayered films deposited on Si3N4 membranes to evaluate structural changes occurring at 150 °C compared with room temperature. Phycocyanin Langmuir–Blodgett films are worthy of investigation in view of their suitability for tissue engineering and other applications due to their thermal integrity and stability as the results of the present investigation reveal.
利用 X 射线自由电子激光器（XFEL）进行的串行飞秒晶体学（SFX）利用超短、高强度和相干 X 射线脉冲彻底改变了传统的 X 射线衍射实验。然而，SFX 方法仍然需要数千个几乎完全相同的样品，导致大量蛋白质消耗。我们建议利用朗缪尔-布洛杰特蛋白质多层膜，这种多层膜具有长程有序性、热稳定性和诱导蛋白质结晶的能力，甚至能诱导传统方法无法结晶的蛋白质结晶。这项研究旨在将朗缪尔-布洛杰特多层膜的固有特性与里纳克相干光源的先进 XFEL 技术相结合。由于可以利用 SFX-XFEL 辐射的特性在纳米或二维晶体中探索大分子的组织，从而在辐射损伤发生之前捕捉到高分辨率的衍射图像，因此我们建议将朗缪尔-布洛吉特蛋白质纳米薄膜技术作为直接制备 "片上 "蛋白质样品的一种新方法。本研究利用同步辐射冷冻电子显微镜和手性晶体二阶非线性成像（SONICC）实验，扩展了之前对朗缪尔-布洛吉特藻蓝蛋白多层纳米薄膜的研究。我们还研究了沉积在 Si3N4 膜上的植物花青素朗缪尔-布洛杰特多层膜的热稳定性，以评估与室温相比在 150 °C 时发生的结构变化。本研究的结果表明，植物花青素朗缪尔-布洛吉特薄膜具有热完整性和稳定性，适用于组织工程和其他应用，因此值得研究。
{"title":"Structural Insights into Phycocyanin Langmuir–Blodgett Multilayers via Serial Femtosecond Crystallography with X-ray Free-Electron Laser","authors":"Eugenia Pechkova, Fabio Massimo Speranza, Paola Ghisellini, Stefano Fiordoro, Cristina Rando, Roberto Eggenhöffner","doi":"10.3390/cryst14090767","DOIUrl":"https://doi.org/10.3390/cryst14090767","url":null,"abstract":"Serial femtosecond crystallography (SFX) with X-ray free-electron lasers (XFELs) has revolutionized classical X-ray diffraction experiments by utilizing ultra-short, intense, and coherent X-ray pulses. However, the SFX approach still requires thousands of nearly identical samples, leading to significant protein consumption. We propose utilizing Langmuir–Blodgett protein multilayers, which are characterized by long-range order, thermal stability, and the ability to induce protein crystallization, even in proteins that cannot be crystallized by conventional methods. This study aimed to combine the intrinsic properties of Langmuir–Blodgett multilayers with advanced XFEL techniques at the Linac Coherent Light Source. Since the macromolecule organization can be explored in nano or 2D crystals exploiting the properties of SFX–XFEL radiation that enable the capture of high-resolution diffraction images before radiation damage occurs, we propose Langmuir–Blodgett protein nanofilm technology as a novel approach for direct “on-chip” protein sample preparation. The present study extends previous investigations into Langmuir–Blodgett phycocyanin multilayer nanofilms using synchrotron radiation cryo-EM microscopy and second-order nonlinear imaging of chiral crystal (SONICC) experiments. We also examined the thermal stability of phycocyanin Langmuir–Blodgett multilayered films deposited on Si3N4 membranes to evaluate structural changes occurring at 150 °C compared with room temperature. Phycocyanin Langmuir–Blodgett films are worthy of investigation in view of their suitability for tissue engineering and other applications due to their thermal integrity and stability as the results of the present investigation reveal.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"4 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Graphene-based materials, including single layer graphene, laser-induced graphene, carbon nanotubes, graphene oxide, and reduced graphene oxide, have become cornerstones of modern materials science due to their exceptional properties and wide range of potential applications [...]
{"title":"Advanced Technologies in Graphene-Based Materials","authors":"Justina Gaidukevic, Jurgis Barkauskas","doi":"10.3390/cryst14090769","DOIUrl":"https://doi.org/10.3390/cryst14090769","url":null,"abstract":"Graphene-based materials, including single layer graphene, laser-induced graphene, carbon nanotubes, graphene oxide, and reduced graphene oxide, have become cornerstones of modern materials science due to their exceptional properties and wide range of potential applications [...]","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"20 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The conversion of molecular dinitrogen into ammonia under mild conditions is a significant pursuit in chemistry due to its potential for sustainable and clean ammonia production. The electrochemical reduction of N2 offers a promising route for achieving this goal with reduced energy consumption, utilizing renewable energy sources. However, the exploration of effective electrocatalysts for this process, particularly at room temperature and atmospheric pressure, remains under exploration. This study addresses this gap by conducting a comprehensive investigation of potential catalysts for nitrogen electro-reduction to ammonia under ambient conditions. Using density functional theory calculations, we explore the (110) facets of rock salt structures across 11 transition metal carbides. Catalytic activity is evaluated through the construction of free energy diagrams for associative, dissociative, and Mars–van Krevelen reaction mechanisms. Additionally, we assess material stability against electrochemical poisoning and decomposition of parent metals during operation. Our findings suggest that a few of the candidates are promising for nitrogen reduction reactions, such as TaC and WC, with moderate onset potentials (−0.66 V and −0.82 V vs. RHE) under ambient conditions.
在温和条件下将分子二氮转化为氨是化学领域的一个重要追求，因为它具有可持续和清洁生产氨的潜力。N2 的电化学还原为利用可再生能源、降低能耗实现这一目标提供了一条前景广阔的途径。然而，对这一过程的有效电催化剂的探索，尤其是在室温和常压下的探索，仍处于探索阶段。本研究针对这一空白，对环境条件下氮气电还原为氨气的潜在催化剂进行了全面研究。利用密度泛函理论计算，我们探索了 11 种过渡金属碳化物的岩盐结构 (110) 面。通过构建关联、离解和 Mars-van Krevelen 反应机制的自由能图，对催化活性进行了评估。此外，我们还评估了材料在运行过程中防止电化学中毒和母体金属分解的稳定性。我们的研究结果表明，在环境条件下，一些候选材料（如 TaC 和 WC）具有适中的起始电位（-0.66 V 和 -0.82 V 对 RHE），有望用于氮还原反应。
{"title":"Understanding the Mechanistic Pathways of N2 Reduction to Ammonia on (110) Facets of Transition Metal Carbides","authors":"Atef Iqbal, Egill Skúlason, Younes Abghoui","doi":"10.3390/cryst14090770","DOIUrl":"https://doi.org/10.3390/cryst14090770","url":null,"abstract":"The conversion of molecular dinitrogen into ammonia under mild conditions is a significant pursuit in chemistry due to its potential for sustainable and clean ammonia production. The electrochemical reduction of N2 offers a promising route for achieving this goal with reduced energy consumption, utilizing renewable energy sources. However, the exploration of effective electrocatalysts for this process, particularly at room temperature and atmospheric pressure, remains under exploration. This study addresses this gap by conducting a comprehensive investigation of potential catalysts for nitrogen electro-reduction to ammonia under ambient conditions. Using density functional theory calculations, we explore the (110) facets of rock salt structures across 11 transition metal carbides. Catalytic activity is evaluated through the construction of free energy diagrams for associative, dissociative, and Mars–van Krevelen reaction mechanisms. Additionally, we assess material stability against electrochemical poisoning and decomposition of parent metals during operation. Our findings suggest that a few of the candidates are promising for nitrogen reduction reactions, such as TaC and WC, with moderate onset potentials (−0.66 V and −0.82 V vs. RHE) under ambient conditions.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"105 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202531","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Qian Sun, Xiaojun Tan, Mingjun Ding, Bo Cao, Takeshi Iwamoto
Iron-based shape memory alloys (Fe-SMAs), traditionally manufactured, are favored in engineering applications owing to their cost-effectiveness and ease of fabrication. However, the conventional manufacturing process of Fe-SMAs is time-consuming and raw-material-wasting. In contrast, additive manufacturing (AM) technology offers a streamlined approach to the integral molding of materials, significantly reducing raw material usage and fabrication time. Despite its potential, research on AMed Fe-SMAs remains in its early stages. This review provides updated information on current AM technologies utilized for Fe-SMAs and their applications. It provides an in-depth discussion on how printing parameters, defects, and post-printing microstructure control affect the mechanical properties and shape memory effect (SME) of AMed Fe-SMAs. Furthermore, this review identifies existing challenges in the AMed Fe-SMA approach and proposes future research directions, highlighting potential areas for development. The insights presented aim to guide improvements in the material properties of AMed Fe-SMAs by optimizing printing parameters and enhancing the SME through microstructure adjustment.
{"title":"A Review of Additively Manufactured Iron-Based Shape Memory Alloys","authors":"Qian Sun, Xiaojun Tan, Mingjun Ding, Bo Cao, Takeshi Iwamoto","doi":"10.3390/cryst14090773","DOIUrl":"https://doi.org/10.3390/cryst14090773","url":null,"abstract":"Iron-based shape memory alloys (Fe-SMAs), traditionally manufactured, are favored in engineering applications owing to their cost-effectiveness and ease of fabrication. However, the conventional manufacturing process of Fe-SMAs is time-consuming and raw-material-wasting. In contrast, additive manufacturing (AM) technology offers a streamlined approach to the integral molding of materials, significantly reducing raw material usage and fabrication time. Despite its potential, research on AMed Fe-SMAs remains in its early stages. This review provides updated information on current AM technologies utilized for Fe-SMAs and their applications. It provides an in-depth discussion on how printing parameters, defects, and post-printing microstructure control affect the mechanical properties and shape memory effect (SME) of AMed Fe-SMAs. Furthermore, this review identifies existing challenges in the AMed Fe-SMA approach and proposes future research directions, highlighting potential areas for development. The insights presented aim to guide improvements in the material properties of AMed Fe-SMAs by optimizing printing parameters and enhancing the SME through microstructure adjustment.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"28 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202532","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lei Huang, Ke Wang, Wenjun Meng, Zhixia Wang, Pengtao Liu
Wear-resistant steel/carbon steel composite plates not only have the double performance advantages of high strength and wear resistance but can also reduce energy consumption and production costs. Based on a 50% reduction rate, the wear resistance of the BTW1/Q345 composite was studied at different annealing temperatures, and the dry friction and wear tests of the BTW1/Q345 composite at different annealing temperatures were carried out using RETC MFT-5000. By using the white-light interference three-dimensional surface profiler, scanning electron microscope (SEM), and backscattered electron diffraction (EBSD) technology, we carried out a detailed analysis of the macroscopic and microscopic morphology and wear mechanism of wear traces at different annealing temperatures. The effects of the annealing process on the thickness and composition of the wear layer were studied, and the causes of wear failure were analyzed based on the results of scanning electron microscopy. It was found that as the annealing temperature gradually increased, the particle size near the scratch of BTW1 in the wear-resistant layer of the composite plate became smaller. On this basis, the effects of different annealing temperatures on the friction and wear characteristics of the composite plate were further studied. At the annealing temperature of 860 ° C, the wear resistance of the material was the best.
{"title":"Study on the Wear Resistance Performance of the Hot-Rolled BTW1/Q345 Composite Plate under Different Annealing Temperatures","authors":"Lei Huang, Ke Wang, Wenjun Meng, Zhixia Wang, Pengtao Liu","doi":"10.3390/cryst14090772","DOIUrl":"https://doi.org/10.3390/cryst14090772","url":null,"abstract":"Wear-resistant steel/carbon steel composite plates not only have the double performance advantages of high strength and wear resistance but can also reduce energy consumption and production costs. Based on a 50% reduction rate, the wear resistance of the BTW1/Q345 composite was studied at different annealing temperatures, and the dry friction and wear tests of the BTW1/Q345 composite at different annealing temperatures were carried out using RETC MFT-5000. By using the white-light interference three-dimensional surface profiler, scanning electron microscope (SEM), and backscattered electron diffraction (EBSD) technology, we carried out a detailed analysis of the macroscopic and microscopic morphology and wear mechanism of wear traces at different annealing temperatures. The effects of the annealing process on the thickness and composition of the wear layer were studied, and the causes of wear failure were analyzed based on the results of scanning electron microscopy. It was found that as the annealing temperature gradually increased, the particle size near the scratch of BTW1 in the wear-resistant layer of the composite plate became smaller. On this basis, the effects of different annealing temperatures on the friction and wear characteristics of the composite plate were further studied. At the annealing temperature of 860 ° C, the wear resistance of the material was the best.","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"47 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202534","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Arif Mahmood, Asif Ur Rehman, Marwan Khraisheh, Metin U. Salamci, Rashid Ur Rehman, Uzair Sajjad, Carmen Ristoscu, Andrei C. Popescu, Mihai Oane, Ion N. Mihailescu
Additive manufacturing (AM) has profoundly impacted modern engineering and materials science by enabling unparalleled control over microstructures, customization, and material properties [...]
{"title":"Additive Manufacturing: Experiments, Simulations, and Data-Driven Modelling","authors":"Muhammad Arif Mahmood, Asif Ur Rehman, Marwan Khraisheh, Metin U. Salamci, Rashid Ur Rehman, Uzair Sajjad, Carmen Ristoscu, Andrei C. Popescu, Mihai Oane, Ion N. Mihailescu","doi":"10.3390/cryst14090763","DOIUrl":"https://doi.org/10.3390/cryst14090763","url":null,"abstract":"Additive manufacturing (AM) has profoundly impacted modern engineering and materials science by enabling unparalleled control over microstructures, customization, and material properties [...]","PeriodicalId":10855,"journal":{"name":"Crystals","volume":"8 1","pages":""},"PeriodicalIF":2.7,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142202533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：