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An overview of sustainable biopolymer composites in sensor manufacturing and smart cities
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-19 DOI: 10.1007/s42114-024-00938-y
Bingkun Liu, Anjana S. Desai, Xiaolu Sun, Juanna Ren, Habib M. Pathan, Vaishnavi Dabir, Aparna Ashok, Hua Hou, Duo Pan, Xingkui Guo, Neeru Bhagat

Biopolymer composites are emerging as promising materials for smart sensors in the fields of civil engineering and intelligent cities. With enhanced mechanical properties, tailored sensitivity, and versatile fabrication methods, biopolymer composites provide a compelling solution for sustainable sensing technologies. The versatility of biopolymer composites with different electrical properties enables their applications in resistive, capacitive, and piezoelectric sensors, thus enhancing their potentials in healthcare, environmental monitoring, and consumer electronics. Here, we review an advancement of biopolymer composites in sensor technology, such as piezoresistive strain sensors used in structural health monitoring and a novel biochemical oxygen demand (BOD) biosensor for water monitoring. Integrating biopolymer composites into electrical biosensors has demonstrated promising results in detecting various substances, including moisture content in soil and model pollutants. Furthermore, their utilization in biopolymer-bound soil composites for building materials holds potential implications for sustainable construction practices. In summary, the incorporation of biopolymer composites in sensing applications paves the pathway towards developing smart and sustainable cities. As research continues, these materials are expected to play an increasingly significant role in sensor technology, providing eco-friendly solutions for challenges in civil engineering, environmental monitoring, and beyond. Furthermore, the potential for biopolymer composites to contribute to a more sustainable and interconnected world is considerable, making them a promising avenue for future sensor manufacturing and Internet of Things (IoT) applications.

Graphical Abstract

The advancement of sustainable biopolymer composites for sensors is comprehensively reviewed with their manufacturing and applications in smart cities.

生物聚合物复合材料正在成为土木工程和智能城市领域智能传感器的理想材料。生物聚合物复合材料具有增强的机械性能、量身定制的灵敏度和多种制造方法,为可持续传感技术提供了引人注目的解决方案。生物聚合物复合材料具有不同的电学特性,可应用于电阻式、电容式和压电式传感器,从而增强了其在医疗保健、环境监测和消费电子产品领域的潜力。在此,我们回顾了生物聚合物复合材料在传感器技术方面的进展,例如用于结构健康监测的压阻应变传感器和用于水监测的新型生化需氧量(BOD)生物传感器。将生物聚合物复合材料集成到电生物传感器中,在检测各种物质(包括土壤中的水分含量和模型污染物)方面取得了可喜的成果。此外,将生物聚合物结合土壤复合材料用于建筑材料,对可持续建筑实践具有潜在的意义。总之,将生物聚合物复合材料应用于传感技术为发展智能和可持续城市铺平了道路。随着研究的不断深入,这些材料有望在传感器技术中发挥越来越重要的作用,为土木工程、环境监测等领域的挑战提供生态友好型解决方案。此外,生物聚合物复合材料在促进世界可持续发展和互联互通方面的潜力相当大,使其成为未来传感器制造和物联网(IoT)应用的一条大有可为的途径。 图文并茂地介绍了用于传感器的可持续生物聚合物复合材料的发展及其在智慧城市中的制造和应用。
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引用次数: 0
Zinc selenide/cobalt selenide in nitrogen-doped carbon frameworks as anode materials for high-performance sodium-ion hybrid capacitors 掺氮碳框架中的硒化锌/硒化钴作为高性能钠离子混合电容器的阳极材料
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-18 DOI: 10.1007/s42114-024-00956-w
Lin Gao, Minglei Cao, Chuankun Zhang, Jian Li, Xiufang Zhu, Xingkui Guo, Zhexenbek Toktarbay

Transition metal selenides are considered reliable anode materials for sodium-ion batteries (SIBs) on account of their commendable sodium storage capability. Yet they still face problems such as substantial volume amplification and unsatisfied conductivity which are detrimental to the circulation performance of the battery. In view of this, nitrogen-doped carbon (NC) packaged ZnSe/CoSe heterostructures (ZnSe/CoSe@NC) octahedron are rationally designed in this work. The NC capsulated heterostructures octahedron could substantially mitigate the issues of volume expansion and low conductivity for transition metal selenides. Additionally, the rich phase boundary derived from ZnSe/CoSe heterostructured interfaces yields numerous active sites for sodium ions and the formed electric field inside ZnSe/CoSe heterostructure can largely boost charge transfer. Most importantly, the unique heterostructure endows ZnSe/CoSe@NC with relatively stronger sodium adsorption, leading to long cycling stability with a reversible capacity of 289 mAh g−1 underneath 900 cycles at 1 A g−1. Given the pseudocapacitance effect of ZnSe/CoSe@NC in SIBs, a sodium ion capacitor (SIC) on the basis of ZnSe/CoSe@NC capacitor-type anode and Na2FePO4F (NFPF) battery-type cathode is rationally conceived and features high energy densities of 209.4 and 80.4 Wh kg−1 at 240 and 4000 W kg−1. The findings offer a promising pathway toward developing advanced energy storage devices with enhanced cycling stability and high energy density.

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引用次数: 0
A novel bio-template strategy of assembled silver nanowires with cluster-random structure via tomato epidermis for transparent electromagnetic interference shielding and joule heating 通过番茄表皮将具有簇状随机结构的银纳米线组装成用于透明电磁干扰屏蔽和焦耳加热的新型生物模板策略
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-18 DOI: 10.1007/s42114-024-00957-9
Zhongmei Xia, Longlong Tian, Tianyi Zhang, Bin Tian, Fuhua Hou, Ashraf Y. Elnaggar, Salah M. El-Bahy, Xiaojing Wang, Yanlai Wang, Tiantian Li, Zeinhom M. El-Bahy

Transparent conductors (TCs) are applied in electromagnetic interference shielding and transparent electronic heaters due to their superior optoelectronic performance. Herein, a bio-template-based self-assembly strategy for silver nanowires (AgNWs) is employed to create novel “island-like” AgNW cluster morphologies, distinguishing from traditional random or circular shapes of AgNWs on PEN substrate. The unique structure ensures multidimensional pathways for free electron migration while concentrating visible light channels. Utilizing ultrasonic spray coating, AgNW random networks cover the clusters, bridge inter-cluster gaps, and ensure outstanding optoelectronic performance. Employing patterned self-assembled AgNWs combined with random networks marks a pioneering approach to achieving precise tunable electromagnetic interference shielding efficiency (EMI SE) in the X-band and optical transmittance, accommodating the diverse needs of various environments. The composite structure, featuring bottomed AgNW clusters and topped AgNW random networks (CRS), displays high transmittance with single-layer coating, achieving a remarkable figure of merit (FoM) of 15,481 (T@550 nm = 99.90%, Rs = 25.26 Ω/sq). This configuration also provides EMI shielding of 20.04 dB in the X-band, meeting commercial standards. Additional layers enhance the CRS films’ optoelectronic stability accompanied by tunable EMI shielding and excellent Joule heating performance.

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引用次数: 0
Advances in biofilm characterization: utilizing rheology and atomic force microscopy in foods and related fields
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-14 DOI: 10.1007/s42114-024-00950-2
Xinhao Wang, Jingyi Xue, Honglin Zhu, Sunni Chen, Yi Wang, Zhenlei Xiao, Yangchao Luo

Biofilms pose significant challenges in various fields, including food, healthcare, and environmental industries, where they compromise safety, quality, and operational efficiency. Understanding their behavior, evaluating antimicrobial efficacy, developing control strategies, and implementing monitoring systems are crucial steps in mitigating biofilm-related risks. This review explores the integration of rheology and atomic force microscopy techniques as powerful tools for addressing these challenges. Rheological models provide insights into biofilm viscoelastic properties, aiding in monitoring and predicting their behavior under diverse environmental conditions. From bulk rheological characterizations to micro-scale measurements, studies elucidate the complex interplay between environmental factors and biofilm development, informing strategies for disinfection and product optimization. AFM enables visualization of biofilm morphology, quantification of surface roughness, and probing of mechanical interactions at the nanoscale. Integration with other analytical techniques offers comprehensive insights into biofilm structure–function relationships, guiding innovative biofilm management strategies. Current applications span antimicrobial effectiveness assessments, biofilm control strategy design, and monitoring of biofilm contamination across industries. Leveraging interdisciplinary approaches holds promising potential to deepen our understanding of biofilms and develop more effective interventions, safeguarding product quality and human health. This review underscores the pivotal role of rheology and AFM in characterizing biofilms and addressing biofilm-related challenges in these fields, where continued research and innovation are essential for advancing our understanding and enhancing control strategies.

Graphic Abstract

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引用次数: 0
An overview of flexible sensing nanocomposites
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-13 DOI: 10.1007/s42114-024-00954-y
Yuchen He, Ziyuan Han, Juanna Ren, Hua Hou, Duo Pan

With the advancement of science technology and the expansion of application area, the study and development of sensor materials and facilities has become a hot spot in today’s scientific community. As a device that can convert physical quantity, chemical properties, and biological characteristics into electrical signals, a sensor is widely used in environmental monitoring, medical diagnosis, industrial automation, and many other fields. Therefore, the study and development of sensor materials and devices not only helps to enhance the performance and sensitivity of sensors but also provides a feasible solution for solving practical problems. This work proposes a brief summary of the different classifications and applications of flexible sensor materials, as well as an outlook on their development direction and application prospects.

Graphical abstract

This work provides a brief overview of the different classifications and applications of flexible sensor materials, as well as an outlook on their development direction and application prospects.

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引用次数: 0
Review: Developments and challenges of advanced flexible electronic materials for medical monitoring applications 回顾:用于医疗监护应用的先进柔性电子材料的发展与挑战
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-10 DOI: 10.1007/s42114-024-00949-9
Tao Zeng, Yufeng Wu, Ming Lei

Flexible sensors, made from flexible electronic materials, are of great importance in the medical field due to the rising prevalence of cardiovascular and cerebrovascular diseases. Studies have demonstrated that timely diagnosis and continuous monitoring of relevant physiological signals can be beneficial in preventing such conditions. Although traditional rigid monitoring sensors are still widely used for medical monitoring, the EMG, ECG, and EEG signals they obtain are often significantly affected by motion artifacts and noise. Therefore, the significance of wearable smart monitoring devices based on flexible electronic materials cannot be overstated. Numerous researchers have been working tirelessly for this purpose, exploring solutions from various angles, including material choice, circuit design, and algorithmic processing. This paper begins by analyzing the causes of motion artifacts in medical smart monitoring devices. Next, it introduces the application of flexible materials and flexible electronic materials in several aspects, along with the work of some representative flexible sensors. Following this, it discusses materials selection and device designs (e.g., accelerometers, gyroscopes, differential circuits, etc.) and algorithmic approaches for eliminating motion artifacts. Finally, an outlook on motion artifact removal techniques from the perspectives of more in-depth material development, structural design, and machine learning is provided. The purpose of this paper is to offer a comprehensive overview of current motion artifact removal techniques and materials, aiming to encourage further research and effectively address the key problem of signal acquisition accuracy in smart biomonitoring.

Graphical Abstract

TOC: Motion artifact occurrence state [40, 120]. Two methods of motion artifact removal or attenuation states are now commonly used: device design [30, 109] and algorithm development [115]. Future development focusing on machine learning and AI. [136]

由于心脑血管疾病的发病率不断上升,由柔性电子材料制成的柔性传感器在医疗领域具有重要意义。研究表明,及时诊断和持续监测相关生理信号有利于预防此类疾病。尽管传统的刚性监测传感器仍被广泛应用于医疗监测,但其获得的肌电图、心电图和脑电图信号往往会受到运动伪影和噪声的严重影响。因此,基于柔性电子材料的可穿戴智能监测设备的重要性怎么强调都不为过。无数研究人员为此不懈努力,从材料选择、电路设计和算法处理等多个角度探索解决方案。本文首先分析了医疗智能监控设备产生运动伪影的原因。接着,从几个方面介绍了柔性材料和柔性电子材料的应用,以及一些具有代表性的柔性传感器的工作情况。随后,它讨论了材料选择和设备设计(如加速度计、陀螺仪、差分电路等)以及消除运动伪影的算法方法。最后,本文从更深入的材料开发、结构设计和机器学习角度对运动伪影消除技术进行了展望。本文旨在对当前运动伪影去除技术和材料进行全面概述,旨在鼓励进一步研究,有效解决智能生物监测中信号采集精度这一关键问题。图文摘要TOC:运动伪影发生状态[40, 120]。目前常用的运动伪影去除或衰减状态有两种方法:设备设计[30, 109]和算法开发[115]。未来的发展重点是机器学习和人工智能。[136]
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引用次数: 0
PVA-CNCs composite electrospun nanofibers for poly(lactic acid) polymer reinforcement 用于聚乳酸聚合物加固的 PVA-CNCs 复合电纺纳米纤维
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-06 DOI: 10.1007/s42114-024-00944-0
J. Elliott Sanders, Yousoo Han, Todd S. Rushing, Evan K. Wujcik, Douglas J. Gardner

In this study, poly(vinyl alcohol) (PVA) in a water solution was mixed with CNC suspensions in 4:1 and 3:2 weight ratios (w/w) and electrospun (ES) into aligned composite fiber mats. The electrospun mats were mechanically cut into high aspect ratio nanofibers (PVA:CNC-nf) and used as reinforcement in melt compounded thermoplastic poly(lactic acid) (PLA). A control PLA composite, containing neat electrospun PVA fibers (PVA-nf) and electrosprayed CNC nanoparticles (CNC-np), was produced for each composite fiber ratio. The electrospun nanofibers (ESNFs) were observed to maintain their morphology without exhibiting agglomeration or void formation in the PLA matrix. Composites containing 15 wt.% 4:1-nf improved tensile strength and stiffness of the PLA by 21% and 30%, while reducing strain at break by 7%, and increased PLA impact strength by 54%. In comparison, the 12 wt.% neat PVA-nf improved the PLA tensile strength and stiffness by 19% and 8%, respectively, while increasing tensile strain at break by 24% and impact strength by 30%. Toughness analysis indicated that the neat PVA-nf improved PLA specific tensile strength, despite the 4:1-nf absorbing more impact energy. Flexural strength improved slightly with the 3:2-nf, but flexural stiffness generally decreased, apart from 15% and 7.5% filled 4:1-nf and 3:2-nf filled PLA composites. Mechanical improvements were attributed to the electrospun reinforcement fibers’ nanometer dimensions and interfacial compatibility, based on by the shift to bound hydroxyl groups detected in the Fourier transform infrared spectroscopy (FTIR) analysis for the PLA composites.

在这项研究中,水溶液中的聚(乙烯醇)(PVA)与数控悬浮液按 4:1 和 3:2 的重量比(w/w)混合,并电纺(ES)成排列整齐的复合纤维毡。电纺纤维毡被机械切割成高纵横比纳米纤维(PVA:CNC-nf),并用作熔融复合热塑性聚乳酸(PLA)的增强材料。在每种复合纤维比率下,都生产出了含有纯电纺 PVA 纤维(PVA-nf)和电喷射 CNC 纳米粒子(CNC-np)的聚乳酸对照复合材料。据观察,电纺纳米纤维(ESNF)在聚乳酸基体中保持了其形态,没有出现团聚或空洞形成。含有 15 wt.% 4:1-nf 的复合材料将聚乳酸的拉伸强度和刚度分别提高了 21% 和 30%,同时将断裂应变降低了 7%,并将聚乳酸的冲击强度提高了 54%。相比之下,12 wt.% 的纯 PVA-nf 可使聚乳酸的拉伸强度和刚度分别提高 19% 和 8%,断裂应变提高 24%,冲击强度提高 30%。韧性分析表明,尽管 4:1-nf 吸收了更多的冲击能量,但纯 PVA-nf 提高了聚乳酸的比抗拉强度。填充 3:2-nf 的聚乳酸复合材料的抗弯强度略有提高,但抗弯刚度普遍降低,只有 15% 和 7.5% 填充 4:1-nf 和 3:2-nf 的聚乳酸复合材料除外。聚乳酸复合材料的傅立叶变换红外光谱(FTIR)分析检测到结合羟基发生了转变,根据这一分析,机械性能的提高归因于电纺增强纤维的纳米尺寸和界面相容性。
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引用次数: 0
Mechanisms of mercury removal from water with highly efficient MXene and silver-modified polyethyleneimine cryogel composite filters 高效 MXene 和银改性聚乙烯亚胺低温凝胶复合过滤器去除水中汞的机理
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-05 DOI: 10.1007/s42114-024-00945-z
Chingis Daulbayev, Armanbek Nursharip, Zhandos Tauanov, Rosa Busquets, Alzhan Baimenov

Safeguarding aquatic ecosystems and human health requires effective methods for removing pollutants. Mercury (Hg) is a very toxic pollutant with a global presence and is highly mobile and persistent. Here, innovative materials were prepared for separating Hg(II) from water, and the mechanisms underlying the efficient uptake of Hg species have been investigated. The sorbents include silver (Ag) nanoparticles and multilayered Ti3C2Tx MXene, both incorporated into the structure of a three-dimensional polyethyleneimine porous cryogel (PEI) that acts as a scaffold holding and exposing nano active sites involved in the removal of Hg. Specifically, Ag particles were deposited onto MXene phases, and the resulting composite was embedded in the macroporous PEI polymer (PEI/MXene@Ag cryogel). The composite has beneficial properties regarding Hg removal: 99% of Hg was separated from waste within 24 h in batch studies. The maximum removal capacity of Hg reached 875 mg/g from HgCl2, and 761 mg/g and 1280 mg/g from Hg(OAc)2 and Hg(NO3)2 salts by PEI/MXene@Ag. The Hg uptake stems from the composite’s relatively large specific surface area, layered porous channels, and highly dispersed Ag nanoparticles in the multilayered Ti3C2Tx MXene. The matrix in the water samples that were treated with the composite did not hinder the uptake of Hg by PEI/MXene@Ag. The high effectiveness achieved for the removal of Hg, combined with rapid adsorption kinetics, high efficiency, and selectivity, positions it as an efficient solution. Future work should address upscaling its preparation for increasing readiness towards mitigating Hg in surface water.

保护水生生态系统和人类健康需要有效的污染物清除方法。汞(Hg)是一种全球性的剧毒污染物,具有高度流动性和持久性。本文制备了用于从水中分离汞(II)的创新材料,并研究了高效吸收汞的机制。吸附剂包括银(Ag)纳米粒子和多层 Ti3C2Tx MXene,二者都融入了三维聚乙烯亚胺多孔冷凝凝胶(PEI)的结构中,PEI 可作为支架,容纳并暴露出参与除汞的纳米活性位点。具体来说,将银颗粒沉积到 MXene 相上,然后将得到的复合材料嵌入大孔 PEI 聚合物(PEI/MXene@Ag 低温凝胶)中。这种复合材料具有良好的除汞特性:在批量研究中,24 小时内就能从废物中分离出 99% 的汞。PEI/MXene@Ag 对 HgCl2 和 Hg(OAc)2 以及 Hg(NO3)2 盐中汞的最大去除率分别达到 875 毫克/克和 761 毫克/克和 1280 毫克/克。汞的吸收源于复合材料相对较大的比表面积、层状多孔通道以及多层 Ti3C2Tx MXene 中高度分散的银纳米颗粒。使用该复合材料处理的水样中的基质并不妨碍 PEI/MXene@Ag 对汞的吸收。该复合材料具有快速吸附动力学、高效率和高选择性等特点,是一种高效的汞去除解决方案。未来的工作应该是扩大其制备规模,为减轻地表水中的汞含量做好更充分的准备。
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引用次数: 0
Corrosion behavior of as-cast Al0.75CoCr1.25FeNi high entropy alloy in 0.5 mol/L sulfuric acid 铸铝 0.75CoCr1.25FeNi 高熵合金在 0.5 mol/L 硫酸中的腐蚀行为
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-04 DOI: 10.1007/s42114-024-00951-1
Sijia Nie, Zhibin Zheng, Yanxin Qiao, Yurong Duan, Jie Cui, Saleh D. Mekkey, Mohammed A. Amin, Saad Melhi, Haokun Yang, Huiling Zhou, Shunli Zheng

This study focuses on the corrosion behaviors of an as-cast Al0.75CoCr1.25FeNi high entropy alloy (HEA) in 0.5 mol/L H2SO4 solution. The results showed that the HEA exhibited mixed column dendrite and inter-dendrite structures composed of face-centered cubic (FCC) phase, body-centered cubic (BCC) phase, and ordered BCC phase (B2). The corrosion resistance of the HEA in 0.5 mol/L H2SO4 solution was inferior to that of 316L stainless steel (SS); the HEA displayed an incomplete capacitive reactance arc at higher frequencies and an inductive reactance arc at lower frequencies during the electrochemical impedance spectroscopy test. The immersion experiments demonstrated an electrical potential difference between the Ni–Al-rich phase and the Fe-Co-Cr-rich phase of the HEA, resulting in micro-galvanic corrosion. This micro-galvanic corrosion prefers on the B2 (Ni–Al-rich) phase of the HEA. Moreover, the FCC phase and BCC1 phase of HEA corroded with the prolongation of immersion time. The surface of HEA has a loose and porous corrosion product film due to its relatively high percentage of Al2O3. Additionally, the ratio of Cr2O3/(Cr + Cr(OH)3) in the corrosion product film decreased with the increase of immersion time.

Graphical Abstract

Al0.75CoCr1.25FeNi high entropy alloy exhibited mixed column dendrite and inter-dendrite structures composed of face-centered cubic (FCC) phase, body-centered cubic (BCC) phase, and ordered BCC phase (B2). The corrosion resistance of the high entropy alloy in 0.5 mol/L H2SO4 solution was inferior to that of 316L stainless steel.

本研究的重点是铝0.75钴铬1.25铁镍高熵合金(HEA)在0.5 mol/L H2SO4溶液中的腐蚀行为。结果表明,HEA呈现出由面心立方(FCC)相、体心立方(BCC)相和有序BCC相(B2)组成的混合柱状枝晶和枝晶间结构。在 0.5 mol/L H2SO4 溶液中,HEA 的耐腐蚀性不如 316L 不锈钢(SS);在电化学阻抗谱测试中,HEA 在较高频率下显示出不完全电容电抗弧,在较低频率下显示出电感电抗弧。浸泡实验表明,HEA 的富 Ni-Al 相和富 Fe-Co-Cr 相之间存在电位差,从而导致微电蚀作用。这种微电蚀作用更倾向于 HEA 的 B2 相(富含 Ni-Al 相)。此外,随着浸泡时间的延长,HEA 的 FCC 相和 BCC1 相也发生了腐蚀。由于 Al2O3 的比例相对较高,HEA 表面的腐蚀产物膜疏松多孔。图解 摘要Al0.75CoCr1.25FeNi 高熵合金呈现出由面心立方(FCC)相、体心立方(BCC)相和有序 BCC 相(B2)组成的混合柱状枝晶和枝晶间结构。高熵合金在 0.5 mol/L H2SO4 溶液中的耐腐蚀性不如 316L 不锈钢。
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引用次数: 0
First-principles investigation on solute co-segregations and their strengthening grain boundary roles in stable nanocrystalline copper 稳定纳米晶铜中溶质共聚及其强化晶界作用的第一性原理研究
IF 20.1 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Pub Date : 2024-09-01 DOI: 10.1007/s42114-024-00948-w
Yanyan Shi, Dalal A. Alshammari, Chao Lei, Hamdy Khamees Thabet, Hongtao Xue, Fuling Tang

Regulating the grain boundaries (GBs) via solute segregation provides a viable pathway to design stable nanocrystalline metals. This study investigates the segregation tendencies of X (X = In, Cr, Ca, Co, Zn, Ag, Zr, and Sn) at the potential sites of Cu Σ11 [110](1(overline{1})3) GB, as well as the co-segregation behavior of Y (Y = Cr and Co) at the Zr- and Ca-segregated Cu GBs, using first-principles calculations. Our results indicate that Cr and Co lack a thermodynamic driving force for segregating to Cu GBs, unlike other elements possessing GB segregation tendencies. The co-segregation calculations show that the presence of Zr at Cu GB can induce the segregation of Cr and Co. In comparison to the single-solute segregation of Zr, Cr, and Co, Zr-Co and Zr-Cr co-segregations exhibit synergistic enhancing effect on the GB thermodynamic stability. Regarding to the enhancement of GB fracture strength, Zr-Co co-segregation shows antagonistic effect, whereas Zr-Cr co-segregation demonstrates synergistic action. This work sheds light on accurately regulating the GB stability and strength of nanograined Cu alloys based on GB segregation.

通过溶质偏析调节晶界(GBs)为设计稳定的纳米晶金属提供了一条可行的途径。本研究采用第一原理计算方法,研究了 X(X = In、Cr、Ca、Co、Zn、Ag、Zr 和 Sn)在 Cu Σ11 [110](1(overline{1})3) GB 潜在位点的偏析倾向,以及 Y(Y = Cr 和 Co)在 Zr 和 Ca 偏析的 Cu GB 上的共偏析行为。我们的结果表明,与其他具有 GB 分离倾向的元素不同,铬和钴缺乏向铜 GB 分离的热力学驱动力。共偏析计算表明,在 Cu GB 上存在 Zr 会诱导 Cr 和 Co 的偏析。与 Zr、Cr 和 Co 的单一绝对偏析相比,Zr-Co 和 Zr-Cr 共偏析对 GB 热力学稳定性具有协同增强作用。在提高 GB 断裂强度方面,Zr-Co 共偏析表现出拮抗作用,而 Zr-Cr 共偏析则表现出协同作用。这项研究揭示了基于GB偏析精确调节纳米粒状铜合金GB稳定性和强度的方法。
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引用次数: 0
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