Pub Date : 2024-04-17DOI: 10.1016/j.mtadv.2024.100489
T.U. Schülli, E Dollekamp, Z Ismaili, N. Nawaz, T. Januel, T. Billo, P. Brumund, H. Djazouli, S.J. Leake, M. Jankowski, V. Reita, M. Rodriguez, L. André, A. Aliane, Y.M. Le Vaillant
Imposing and controlling strain in materials such as semiconductors or ferroelectrics is a promising way to obtain new or enhance existing properties. Although the field of strain engineering has seen a rapid expansion over the last two decades, straining semiconductor membranes over large areas remains a challenge. A generic way of tuning strain and hence band structure and electric or magnetic properties of any crystalline material can be obtained by compression of a composite structure involving poorly compressible elastomers. Mechanically similar to the principle of a hydraulic press, this work proposes a device and describes analytically a methodology to easily strain macroscopic membranes up to unprecedented values. Using X-ray diffraction and Raman spectroscopy, we tuned the biaxial strain in silicon membranes up to a value of 2.1 %, paving the way for new studies in the field of strain related physics, from semiconductors to perovskite oxide multiferroics.
在半导体或铁电体等材料中施加和控制应变是获得新特性或增强现有特性的一种很有前途的方法。虽然应变工程领域在过去二十年中迅速发展，但大面积应变半导体膜仍然是一项挑战。通过压缩涉及可压缩性差的弹性体的复合结构，可以获得调整应变的通用方法，进而调整任何晶体材料的带状结构和电或磁特性。与液压机的原理类似，这项研究提出了一种装置，并通过分析描述了一种方法，可以轻松地将宏观膜的应变值提高到前所未有的水平。利用 X 射线衍射和拉曼光谱，我们将硅膜中的双轴应变调整到了 2.1 % 的值，为应变相关物理学领域的新研究铺平了道路，包括从半导体到过氧化物多铁氧体。
{"title":"Dynamic and controlled stretching of macroscopic crystalline membranes towards unprecedented levels","authors":"T.U. Schülli, E Dollekamp, Z Ismaili, N. Nawaz, T. Januel, T. Billo, P. Brumund, H. Djazouli, S.J. Leake, M. Jankowski, V. Reita, M. Rodriguez, L. André, A. Aliane, Y.M. Le Vaillant","doi":"10.1016/j.mtadv.2024.100489","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100489","url":null,"abstract":"Imposing and controlling strain in materials such as semiconductors or ferroelectrics is a promising way to obtain new or enhance existing properties. Although the field of strain engineering has seen a rapid expansion over the last two decades, straining semiconductor membranes over large areas remains a challenge. A generic way of tuning strain and hence band structure and electric or magnetic properties of any crystalline material can be obtained by compression of a composite structure involving poorly compressible elastomers. Mechanically similar to the principle of a hydraulic press, this work proposes a device and describes analytically a methodology to easily strain macroscopic membranes up to unprecedented values. Using X-ray diffraction and Raman spectroscopy, we tuned the biaxial strain in silicon membranes up to a value of 2.1 %, paving the way for new studies in the field of strain related physics, from semiconductors to perovskite oxide multiferroics.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"47 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140804693","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}
Pub Date : 2024-04-17DOI: 10.1016/j.mtadv.2024.100486
Qingyang Fan, Heng Liu, Chongdan Ren, Sining Yun, Udo Schwingenschlögl
284 carbon allotropes with space group (No. 53) are proposed based on high-throughput calculations and density functional theory. Out of 14,285 initially identified candidates, 284 carbon allotropes are confirmed by structure optimization, removal of repetitive structures, calculation of relative enthalpies, and verification of the mechanical and thermal stabilities. Among them, 135 are metals, 55 are direct band gap semiconductors (in 15 cases with a band gap between 1.0 and 1.5 eV), 46 have three-dimensional conductive channels, 32 are superhard, and 3 are type-I Dirac semimetals.
{"title":"High-throughput design of three-dimensional carbon allotropes with Pmna space group","authors":"Qingyang Fan, Heng Liu, Chongdan Ren, Sining Yun, Udo Schwingenschlögl","doi":"10.1016/j.mtadv.2024.100486","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100486","url":null,"abstract":"284 carbon allotropes with space group (No. 53) are proposed based on high-throughput calculations and density functional theory. Out of 14,285 initially identified candidates, 284 carbon allotropes are confirmed by structure optimization, removal of repetitive structures, calculation of relative enthalpies, and verification of the mechanical and thermal stabilities. Among them, 135 are metals, 55 are direct band gap semiconductors (in 15 cases with a band gap between 1.0 and 1.5 eV), 46 have three-dimensional conductive channels, 32 are superhard, and 3 are type-I Dirac semimetals.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"52 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140615336","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}
Cobalt-based amorphous alloys (Co-MG) demonstrate ultra-high permeability and remarkably-low power loss, positioning them as promising candidates for shielding (near-) static magnetic fields and addressing accuracy limitations in extremely-weak magnetic measurements. , the brittleness and poor understanding about magnetic performance below 100 Hz have impeded their widespread adoption. To integrate satisfied processing, magnetic and mechanical performances, polystyrene-grafted Co-MG composites are developed. Compared with permalloy-1J85, Co-MG-(-PS_35 %) composite exhibits 40 % increase in initial permeability, 48 % increase in saturation magnetization, 71 % reduction in remanence within shielding area. In contrast to Mn–Zn ferrite, Co-MG-(-PS_35 %) composite demonstrates the power loss and ″/′ values lower by an order of magnitude, resulting in magnetic noises 85 % lower at 1 Hz. Furthermore, the resultant composite maintains similar processing-rheological behaviors and mechanical properties compared with bulk polystyrene. It provides an innovative solution to expand real-world applications for biomagnetic detection, and overcome the sensitivity limitation of extremely-weak magnetic measurement.
{"title":"Low magnetic noise, easy-to-process polystyrene-grafted amorphous alloy composites for extremely-weak magnetic measurement at ultra-low frequency","authors":"Ting Sai, Pengfei Wang, Xiaoying Gu, Xueping Xu, Jinji Sun, Jing Ye","doi":"10.1016/j.mtadv.2024.100487","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100487","url":null,"abstract":"Cobalt-based amorphous alloys (Co-MG) demonstrate ultra-high permeability and remarkably-low power loss, positioning them as promising candidates for shielding (near-) static magnetic fields and addressing accuracy limitations in extremely-weak magnetic measurements. , the brittleness and poor understanding about magnetic performance below 100 Hz have impeded their widespread adoption. To integrate satisfied processing, magnetic and mechanical performances, polystyrene-grafted Co-MG composites are developed. Compared with permalloy-1J85, Co-MG-(-PS_35 %) composite exhibits 40 % increase in initial permeability, 48 % increase in saturation magnetization, 71 % reduction in remanence within shielding area. In contrast to Mn–Zn ferrite, Co-MG-(-PS_35 %) composite demonstrates the power loss and ″/′ values lower by an order of magnitude, resulting in magnetic noises 85 % lower at 1 Hz. Furthermore, the resultant composite maintains similar processing-rheological behaviors and mechanical properties compared with bulk polystyrene. It provides an innovative solution to expand real-world applications for biomagnetic detection, and overcome the sensitivity limitation of extremely-weak magnetic measurement.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"305 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140615312","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}
Pub Date : 2024-04-10DOI: 10.1016/j.mtadv.2024.100490
Xinyu Lu, Yi Luo, Xiaochun Hu, Jianjian Chu, Siqi Li, Mengqi Hao, Jianhua Zhuang, Yan Liu, Jie Gao, You Yin
Brain diseases, encompassing neurodegenerative disorders, strokes, and brain tumors, represent significant medical conditions with profound implications for human health. The blood-brain barrier (BBB) and the blood-cerebral-spinal cord barrier (BCSFB) limited drug penetration, poor drug targeting, and limited proliferation and easy death of mature neuronal cells greatly impair regeneration of the central nervous system after the injury, and thus call for more advanced therapeutic strategies in the clinic. Biomedical hydrogel research presents a potentially novel therapeutic approach for the management of brain disorders. Hydrogels are extremely biocompatible scaffolding materials that can be loaded with a variety of drugs for achieving effective treatments for brain disorders and can be customized with different mechanical properties to match the target organ or modulate its environment. This article offers an overview of recent research progress, challenges, and prospective developments in the utilization of hydrogels for treating brain disorders, with the objective of accentuating their potential as an early intervention in the preclinical phase. The unique mechanisms of drug release in hydrogels are examined in detail: extended-release medications, environmental release of drugs, and the material's own activity. An understanding of these mechanisms helps to make more effective drug delivery systems to the brain possible.
{"title":"Emerging hydrogel therapies for translating brain disease: Materials, mechanisms, and recent research","authors":"Xinyu Lu, Yi Luo, Xiaochun Hu, Jianjian Chu, Siqi Li, Mengqi Hao, Jianhua Zhuang, Yan Liu, Jie Gao, You Yin","doi":"10.1016/j.mtadv.2024.100490","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100490","url":null,"abstract":"Brain diseases, encompassing neurodegenerative disorders, strokes, and brain tumors, represent significant medical conditions with profound implications for human health. The blood-brain barrier (BBB) and the blood-cerebral-spinal cord barrier (BCSFB) limited drug penetration, poor drug targeting, and limited proliferation and easy death of mature neuronal cells greatly impair regeneration of the central nervous system after the injury, and thus call for more advanced therapeutic strategies in the clinic. Biomedical hydrogel research presents a potentially novel therapeutic approach for the management of brain disorders. Hydrogels are extremely biocompatible scaffolding materials that can be loaded with a variety of drugs for achieving effective treatments for brain disorders and can be customized with different mechanical properties to match the target organ or modulate its environment. This article offers an overview of recent research progress, challenges, and prospective developments in the utilization of hydrogels for treating brain disorders, with the objective of accentuating their potential as an early intervention in the preclinical phase. The unique mechanisms of drug release in hydrogels are examined in detail: extended-release medications, environmental release of drugs, and the material's own activity. An understanding of these mechanisms helps to make more effective drug delivery systems to the brain possible.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"211 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140572067","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}
The fabrication of InGaN-based blue 4✕4 array micro-LEDs (μLEDs) with 40 μm ✕40 μm chip size and 2✕2 array μLEDs with 80 μm ✕80 μm chip size etching by the inductive coupled plasma reactive ion etching (ICPRIE) and defect-free neutral beam etching (NBE) processes was studied in this work. In μLEDs of this size, the influence of defects formation in the sidewalls on EQE was evaluated. There was almost no difference in EQE between μLEDs array etched by the NBE process no matter 40 μm ✕40 μm and 80 μm ✕80 μm, but the dependence was observed in the ICPRIE. Even with this size, it was found that the size effect of EQE is smaller than that in case of using ICPRIE for defect-free neutral beam etching. This impact is substantial since μLED predominantly operated at low current density, around 1–5 A/cm. Consequently, the reduction of defect density, encompassing both internal and sidewall defects, becomes imperative even in 40–80 μm InGaN-based μLEDs. This not only improves the overall efficiency of μLEDs but also fortifies the brightness stability of μLED displays if process etching by NBE. It was also found that the etching shape had an influence on EQE. It could be attributed to fact that the etching profile angle of NBE was more vertical than that of ICPRIE. Because the different angles of the mesa resulted in different light intensity. The μLEDs emitting with a wavelength of 450 nm, the light extraction efficiency and intensity at a mesa angle 58° of NBE etching μLEDs was about 8% lower than those of an angle (38°) of ICPRIE etching μLEDs by simulation.
{"title":"Performance comparison of InGaN-based 40–80 μm micro-LEDs fabricated with and without plasma etching","authors":"Yu-Yun Lo, Yi-Ho Chen, Yun-Cheng Hsu, Tzu-Yi Lee, Yu-Ying Hung, Yu-Cheng Kao, Hsiao-Wen Zan, Dong- Sing Wuu, Hao-Chung Kuo, Seiji Samukawa, Ray-Hua Horng","doi":"10.1016/j.mtadv.2024.100485","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100485","url":null,"abstract":"The fabrication of InGaN-based blue 4✕4 array micro-LEDs (μLEDs) with 40 μm ✕40 μm chip size and 2✕2 array μLEDs with 80 μm ✕80 μm chip size etching by the inductive coupled plasma reactive ion etching (ICPRIE) and defect-free neutral beam etching (NBE) processes was studied in this work. In μLEDs of this size, the influence of defects formation in the sidewalls on EQE was evaluated. There was almost no difference in EQE between μLEDs array etched by the NBE process no matter 40 μm ✕40 μm and 80 μm ✕80 μm, but the dependence was observed in the ICPRIE. Even with this size, it was found that the size effect of EQE is smaller than that in case of using ICPRIE for defect-free neutral beam etching. This impact is substantial since μLED predominantly operated at low current density, around 1–5 A/cm. Consequently, the reduction of defect density, encompassing both internal and sidewall defects, becomes imperative even in 40–80 μm InGaN-based μLEDs. This not only improves the overall efficiency of μLEDs but also fortifies the brightness stability of μLED displays if process etching by NBE. It was also found that the etching shape had an influence on EQE. It could be attributed to fact that the etching profile angle of NBE was more vertical than that of ICPRIE. Because the different angles of the mesa resulted in different light intensity. The μLEDs emitting with a wavelength of 450 nm, the light extraction efficiency and intensity at a mesa angle 58° of NBE etching μLEDs was about 8% lower than those of an angle (38°) of ICPRIE etching μLEDs by simulation.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"120 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140572072","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}
Pub Date : 2024-03-21DOI: 10.1016/j.mtadv.2024.100484
Shubhangi D. Shirsat, Prajkta V. Londhe, Ashwini P. Gaikwad, Muhammad Rizwan, Suvra S. Laha, Vishwajeet M. Khot, Varenyam Achal, Tanveer A. Tabish, Nanasaheb D. Thorat
Several evolving therapies depend on the delivery of therapeutic cargo into the cytoplasm. Engineered magnetic nanoparticles (MNPs) have played a pivotal role in advancing and modernizing cancer theranostics, vaccination and gene therapies. The main advantages of MNP-based delivery approaches are due to their potential to decrease the side effects by targeting specific cell types, shielding delicate therapeutics from early degradation, increasing the solubility of hard-to-deliver drugs and long-sustained and precise release of these drugs. Like other nanoparticles (NPs), MNPs enter cells by endocytosis and are frequently stuck inside endocytic vesicles, which mature into early and late endosomes and accumulate in the lysosome. Endocytosed MNPs are ultimately degraded in lysosomes or recycled towards the cell membrane. Thereby, they must escape endocytic vesicles on a priority basis. Endosomal escape is highly important for the effectiveness of nanoparticle-based treatments. This review is concerned with the use of magnetic nanoparticles (MNPs) as functional nano-objects to enhance the therapeutic effects by disrupting or rupturing the endocytic vesicles in terms of endosomal escape. The current strategies and future challenges concerning an efficient endosomal escape of MNPs are discussed in this review.
{"title":"Endosomal escape in magnetic nanostructures: Recent advances and future perspectives","authors":"Shubhangi D. Shirsat, Prajkta V. Londhe, Ashwini P. Gaikwad, Muhammad Rizwan, Suvra S. Laha, Vishwajeet M. Khot, Varenyam Achal, Tanveer A. Tabish, Nanasaheb D. Thorat","doi":"10.1016/j.mtadv.2024.100484","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100484","url":null,"abstract":"Several evolving therapies depend on the delivery of therapeutic cargo into the cytoplasm. Engineered magnetic nanoparticles (MNPs) have played a pivotal role in advancing and modernizing cancer theranostics, vaccination and gene therapies. The main advantages of MNP-based delivery approaches are due to their potential to decrease the side effects by targeting specific cell types, shielding delicate therapeutics from early degradation, increasing the solubility of hard-to-deliver drugs and long-sustained and precise release of these drugs. Like other nanoparticles (NPs), MNPs enter cells by endocytosis and are frequently stuck inside endocytic vesicles, which mature into early and late endosomes and accumulate in the lysosome. Endocytosed MNPs are ultimately degraded in lysosomes or recycled towards the cell membrane. Thereby, they must escape endocytic vesicles on a priority basis. Endosomal escape is highly important for the effectiveness of nanoparticle-based treatments. This review is concerned with the use of magnetic nanoparticles (MNPs) as functional nano-objects to enhance the therapeutic effects by disrupting or rupturing the endocytic vesicles in terms of endosomal escape. The current strategies and future challenges concerning an efficient endosomal escape of MNPs are discussed in this review.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"66 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140314089","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}
Pub Date : 2024-03-19DOI: 10.1016/j.mtadv.2024.100483
Isaiah A. Moses, Chengyin Wu, Wesley F. Reinhart
Materials characterization remains a labor-intensive process, with a large amount of expert time required to post-process and analyze micrographs. As a result, machine learning has become an essential tool in materials science, including for materials characterization. In this study, we perform an in-depth analysis of the prediction of crystal coverage in WSe thin film atomic force microscopy (AFM) height maps with supervised regression and segmentation models. Regression models were trained from scratch and through transfer learning from a ResNet pretrained on ImageNet and MicroNet to predict monolayer crystal coverage. Models trained from scratch outperformed those using features extracted from pretrained models, but fine-tuning yielded the best performance, with an impressive 0.99 value on a diverse set of held-out test micrographs. Notably, features extracted from MicroNet showed significantly better performance than those from ImageNet, but fine-tuning on ImageNet demonstrated the reverse. As the problem is natively a segmentation task, the segmentation models excelled in determining crystal coverage on image patches. However, when applied to full images rather than patches, the performance of segmentation models degraded considerably, while the regressors did not, suggesting that regression models may be more robust to scale and dimension changes compared to segmentation models. Our results demonstrate the efficacy of computer vision models for automating sample characterization in 2D materials while providing important practical considerations for their use in the development of chalcogenide thin films.
{"title":"Crystal growth characterization of WSe2 thin film using machine learning","authors":"Isaiah A. Moses, Chengyin Wu, Wesley F. Reinhart","doi":"10.1016/j.mtadv.2024.100483","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100483","url":null,"abstract":"Materials characterization remains a labor-intensive process, with a large amount of expert time required to post-process and analyze micrographs. As a result, machine learning has become an essential tool in materials science, including for materials characterization. In this study, we perform an in-depth analysis of the prediction of crystal coverage in WSe thin film atomic force microscopy (AFM) height maps with supervised regression and segmentation models. Regression models were trained from scratch and through transfer learning from a ResNet pretrained on ImageNet and MicroNet to predict monolayer crystal coverage. Models trained from scratch outperformed those using features extracted from pretrained models, but fine-tuning yielded the best performance, with an impressive 0.99 value on a diverse set of held-out test micrographs. Notably, features extracted from MicroNet showed significantly better performance than those from ImageNet, but fine-tuning on ImageNet demonstrated the reverse. As the problem is natively a segmentation task, the segmentation models excelled in determining crystal coverage on image patches. However, when applied to full images rather than patches, the performance of segmentation models degraded considerably, while the regressors did not, suggesting that regression models may be more robust to scale and dimension changes compared to segmentation models. Our results demonstrate the efficacy of computer vision models for automating sample characterization in 2D materials while providing important practical considerations for their use in the development of chalcogenide thin films.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"39 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140199186","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}
In the context of the growing research interest in multi-component alloys (MAs) and their exceptional performance under extreme environments, the high-temperature oxidation resistance and applications of MAs have attracted significant attention in the field of metallic materials. While the cost-effective and mechanical properties of Co-free MAs are of great importance, their oxidation resistance remains insufficiently understood. In this work, we designed multiple heterogeneous structures within a cast dual-phase CrFeNiAlTi MA by tailoring the Al and Ti ratio, which consists of body-centered-cubic (BCC) grains reinforced by multi-scale nanoprecipitates (i.e., L2, B2, and phase) and an L1-strengthened face-centered cubic (FCC) skeleton. Isothermal oxidation experiments at 800 °C, 1000 °C, and 1200 °C with varying exposure durations were conducted. The oxidation kinetics at 800 °C and 1000 °C followed a parabolic law, while both low weight increment and oxidation rate confirm remarkable oxidation resistance. At 800 °C, the oxides mainly consist of CrO and AlO, while are dominated by (TiO + CrO) and the mixed oxides of AlO, TiO and TiO above 1000 °C. Importantly, the inability to form a continuous AlO oxide scale at higher temperatures led to a deterioration in oxidation resistance. These findings offer valuable insights into underlying mechanisms contributing to oxidation resistance for Co-free MAs.
随着人们对多组分合金（MAs）及其在极端环境下的优异性能的研究兴趣日益浓厚，多组分合金的高温抗氧化性及其应用在金属材料领域引起了极大关注。虽然无 Co MAs 的成本效益和机械性能非常重要，但人们对其抗氧化性的了解仍然不够。在这项工作中，我们通过调整铝和钛的比例，在铸造的双相铬铁镍铝钛 MA 中设计了多种异质结构，其中包括由多尺度纳米沉淀物（即 L2、B2 和相）强化的体心立方（BCC）晶粒和 L1 强化的面心立方（FCC）骨架。在 800 ℃、1000 ℃ 和 1200 ℃ 温度条件下进行了不同暴露时间的等温氧化实验。800 °C 和 1000 °C 下的氧化动力学遵循抛物线规律，而低重量增量和氧化率都证实了其显著的抗氧化性。在 800 ℃ 时，氧化物主要由氧化铬和氧化铝组成，而在 1000 ℃ 以上则主要由（氧化钛 + 氧化铬）以及氧化铝、氧化钛和氧化钛的混合氧化物组成。重要的是，在较高温度下无法形成连续的氧化铝氧化物鳞片会导致抗氧化性下降。这些发现为了解无钴砷化镓抗氧化性的基本机制提供了宝贵的见解。
{"title":"High-temperature oxidation behaviors of Co-free Cr30Fe30Ni30Al5Ti5 dual-phase multi-component alloys with multi-scale nanoprecipitates","authors":"Qingwei Gao, Yingying Wang, Jianhong Gong, Changshan Zhou, Jiyao Zhang, Xiaoming Liu, Junlei Tang, Pingping Liu, Xiangyan Chen, Dong Chen, Wenquan Lv, Konda Gokuldoss Prashanth, Kaikai Song","doi":"10.1016/j.mtadv.2024.100482","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100482","url":null,"abstract":"In the context of the growing research interest in multi-component alloys (MAs) and their exceptional performance under extreme environments, the high-temperature oxidation resistance and applications of MAs have attracted significant attention in the field of metallic materials. While the cost-effective and mechanical properties of Co-free MAs are of great importance, their oxidation resistance remains insufficiently understood. In this work, we designed multiple heterogeneous structures within a cast dual-phase CrFeNiAlTi MA by tailoring the Al and Ti ratio, which consists of body-centered-cubic (BCC) grains reinforced by multi-scale nanoprecipitates (i.e., L2, B2, and phase) and an L1-strengthened face-centered cubic (FCC) skeleton. Isothermal oxidation experiments at 800 °C, 1000 °C, and 1200 °C with varying exposure durations were conducted. The oxidation kinetics at 800 °C and 1000 °C followed a parabolic law, while both low weight increment and oxidation rate confirm remarkable oxidation resistance. At 800 °C, the oxides mainly consist of CrO and AlO, while are dominated by (TiO + CrO) and the mixed oxides of AlO, TiO and TiO above 1000 °C. Importantly, the inability to form a continuous AlO oxide scale at higher temperatures led to a deterioration in oxidation resistance. These findings offer valuable insights into underlying mechanisms contributing to oxidation resistance for Co-free MAs.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"142 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140198869","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}
Pub Date : 2024-03-06DOI: 10.1016/j.mtadv.2024.100477
Tomasz Baran, Szymon Wojtyła, Marco Scavini, Francesco Carlà, Edmund Welter, Roberto Comparelli, Angela Dibenedetto, Michele Aresta
Low activity and a short lifetime are the main weaknesses of photocatalysts. The photoactivity of copper oxide, which is known as one of the most promising materials for H evolution and CO reduction, can be improved by coupling with other semiconductors. This effect is based on a mutual charge transfer. The photocathode developed in this work, based on a CuO–ZnO composite with mutual self-doping, exhibits attractive photoelectrochemical properties, in particular a high density of generated photocurrent lasting for 24 h. Under visible light irradiation, the composite produces water-splitting, while in the presence of carbon dioxide it is able to perform CO reduction to methanol with good selectivity coupled to water oxidation. The high activity of the CuO-based cathode is due to the presence of zinc oxide, which is progressively leached, causing a slow decrease of the photoactivity of the material.
活性低和寿命短是光催化剂的主要缺点。众所周知，氧化铜是最有前途的 H 演化和 CO 还原材料之一，它的光活性可以通过与其他半导体耦合而得到改善。这种效应基于电荷的相互转移。在可见光照射下，这种复合材料能产生水分裂，而在二氧化碳存在的情况下，它能以良好的选择性将一氧化碳还原成甲醇，并与水氧化作用相结合。氧化铜基阴极的高活性是由于氧化锌的存在，而氧化锌会逐渐被沥滤，导致材料的光活性缓慢下降。
{"title":"Copper–zinc oxide heterostructure photocathodes for hydrogen and methanol production","authors":"Tomasz Baran, Szymon Wojtyła, Marco Scavini, Francesco Carlà, Edmund Welter, Roberto Comparelli, Angela Dibenedetto, Michele Aresta","doi":"10.1016/j.mtadv.2024.100477","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100477","url":null,"abstract":"Low activity and a short lifetime are the main weaknesses of photocatalysts. The photoactivity of copper oxide, which is known as one of the most promising materials for H evolution and CO reduction, can be improved by coupling with other semiconductors. This effect is based on a mutual charge transfer. The photocathode developed in this work, based on a CuO–ZnO composite with mutual self-doping, exhibits attractive photoelectrochemical properties, in particular a high density of generated photocurrent lasting for 24 h. Under visible light irradiation, the composite produces water-splitting, while in the presence of carbon dioxide it is able to perform CO reduction to methanol with good selectivity coupled to water oxidation. The high activity of the CuO-based cathode is due to the presence of zinc oxide, which is progressively leached, causing a slow decrease of the photoactivity of the material.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"27 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140056933","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}
Pub Date : 2024-03-01DOI: 10.1016/j.mtadv.2024.100474
Seungpyo Kang, Joonchul Kim, Taehyun Park, Joonghee Won, Chul Baik, Jungim Han, Kyoungmin Min
Under thin film deposition, when used in conjunction with the semiconductor atomic layer deposition (ALD) method, the choice of precursor determines the properties and quality of the thin film. Organometallic precursors such as alkaline earth metals (Sr and Ba) and group 4 transition metals (Zr and Hf) with cyclopentadienyl and tetrakis (ethylmethylamino) ligands have recently gained attention for their stable deposition within high-temperature windows in the ALD. The design of organometallic precursors with an molecular dynamics (AIMD) simulations-based approach ensures high accuracy but comes with significant computational costs. In this study, we aim to develop a machine-learning interatomic potential (MLIP) through moment tensor potential (MTP) for fast and accurate potential development of Sr, Ba, Zr, and Hf precursors. To establish the reliable training database for MTP construction, we conducted AIMD simulations on each precursor across a range of temperature settings, resulting in a variety of atomic structures. Constructed MTPs enable efficient utilization of molecular dynamics (MD) simulations as well as calculations that achieve an accuracy that approximates density functional theory (DFT). MTP construction coupled with active learning ensures that the MTP for each precursor is reliable and that databases can be expanded. High prediction accuracy is demonstrated by a mean absolute error (MAE) of less than 0.04 eV/atom in all structures. In addition, generalization performance is confirmed for general structures (structures with the same chemical elements but different proportions) and is extended to cluster structures. The constructed MTP exhibits an MAE of less than 0.15 eV/atom, even for untrained cluster structures. These results demonstrate adequate representation and scalability as a basis for the development of MLIPs capable of atomic simulations of organometallic precursors under various thermodynamic conditions.
{"title":"Toward fast and accurate machine learning interatomic potentials for atomic layer deposition precursors","authors":"Seungpyo Kang, Joonchul Kim, Taehyun Park, Joonghee Won, Chul Baik, Jungim Han, Kyoungmin Min","doi":"10.1016/j.mtadv.2024.100474","DOIUrl":"https://doi.org/10.1016/j.mtadv.2024.100474","url":null,"abstract":"Under thin film deposition, when used in conjunction with the semiconductor atomic layer deposition (ALD) method, the choice of precursor determines the properties and quality of the thin film. Organometallic precursors such as alkaline earth metals (Sr and Ba) and group 4 transition metals (Zr and Hf) with cyclopentadienyl and tetrakis (ethylmethylamino) ligands have recently gained attention for their stable deposition within high-temperature windows in the ALD. The design of organometallic precursors with an molecular dynamics (AIMD) simulations-based approach ensures high accuracy but comes with significant computational costs. In this study, we aim to develop a machine-learning interatomic potential (MLIP) through moment tensor potential (MTP) for fast and accurate potential development of Sr, Ba, Zr, and Hf precursors. To establish the reliable training database for MTP construction, we conducted AIMD simulations on each precursor across a range of temperature settings, resulting in a variety of atomic structures. Constructed MTPs enable efficient utilization of molecular dynamics (MD) simulations as well as calculations that achieve an accuracy that approximates density functional theory (DFT). MTP construction coupled with active learning ensures that the MTP for each precursor is reliable and that databases can be expanded. High prediction accuracy is demonstrated by a mean absolute error (MAE) of less than 0.04 eV/atom in all structures. In addition, generalization performance is confirmed for general structures (structures with the same chemical elements but different proportions) and is extended to cluster structures. The constructed MTP exhibits an MAE of less than 0.15 eV/atom, even for untrained cluster structures. These results demonstrate adequate representation and scalability as a basis for the development of MLIPs capable of atomic simulations of organometallic precursors under various thermodynamic conditions.","PeriodicalId":48495,"journal":{"name":"Materials Today Advances","volume":"104 1","pages":""},"PeriodicalIF":10.0,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140045938","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}
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