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Derivation of Expressions for Interdiffusion and Intrinsic Diffusion Flux in Presence of Chemical Potential Gradient in a Multicomponent System with Composition Dependent Molar Volume 具有组分依赖摩尔体积的多组分体系中存在化学势梯度时相互扩散和本征扩散通量表达式的推导
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad018
Kaustubh N Kulkarni
Abstract It has been generally accepted and often mentioned in the text books that gradient in chemical potential of a species is the fundamental driving force for its diffusion. However, a general derivation of the interrelation between the diffusion flux of a component and chemical potential gradients in a non-ideal solution is lacking. Although there have been various studies in the literature reporting such interrelations for a binary system, they all assume constant molar volume. In a non-ideal system though molar volume changes with composition. Hence, in the present work, kinetic theory is used to derive a relation between diffusion flux and the chemical potential gradients for a multicomponent system with composition dependent molar volume. It is shown that the velocity of the marker as measured in a diffusion couple experiment should consist of the drift velocity (UN) due to change in molar volume accompanied by diffusion as well as the Kirkendall velocity caused by vacancy equilibration process. For the assumption of volume change occurring only in the direction of diffusion, the Kirkendall velocity is same as the marker velocity measured in a diffusion couple. However, if the lattice is allowed to relax in all directions, the contribution of UN to the marker velocity can be significant. This is shown to be as high as 20% for Cu in a Cu-Ni diffusion couple.
摘要化学势梯度是物质扩散的根本驱动力,这已被普遍接受并在教科书中经常提及。然而,在非理想溶液中,组分的扩散通量与化学势梯度之间的相互关系的一般推导是缺乏的。虽然在文献中已经有各种各样的研究报告了二元系统的这种相互关系,但它们都假设摩尔体积恒定。在非理想体系中,摩尔体积随组分的变化而变化。因此,在本工作中,动力学理论被用来推导一个多组分体系的扩散通量和化学势梯度之间的关系,其组分依赖于摩尔体积。结果表明,在扩散偶实验中测量标记物的速度应由扩散过程中摩尔体积变化引起的漂移速度(UN)和空位平衡过程引起的Kirkendall速度组成。对于只在扩散方向上发生体积变化的假设,Kirkendall速度与扩散偶中测量的标记速度相同。然而,如果允许晶格在所有方向上松弛,则UN对标记速度的贡献可以是显著的。在Cu- ni扩散偶中,这一比例高达20%。
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引用次数: 0
Optimized APCVD Method for Synthesis of Monolayer H-Phase VS2 Crystals 优化的APCVD法合成单层h相VS2晶体
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad020
Amit Kumar Patel, Ashish Jyoti Borah, Anchal Srivastava
Abstract Monolayer transition metal dichalcogenides, specifically H-phase vanadium disulfide (VS2), hold great significance as fundamental components for next-generation low-dimensional spintronic, optoelectronic, and future electronic devices. They also offer an opportunity to explore the intrinsic magnetic properties associated with monolayer H-phase VS2 crystals at room temperature. However, there have been limited experimental studies on synthesizing pure monolayer H-phase VS2 crystals using sodium metavanadate (NaVO3) and sulfur (S) as precursors for vanadium (V) and S, respectively. In this study, we present a facile atmospheric pressure chemical vapor deposition (APCVD) approach for the synthesizing monolayer H-phase VS2 crystals with a thickness of ∼0.7 nm. The lateral dimensions of monolayer VS2 crystals extends up to ∼26 µm. Additionally, we have modulated the growth parameters, such as the temperature of NaVO3 and the Ar gas flow rate, to obtain VS2 flakes with different sizes and morphologies. This significant advancement paves the way for the synthesis of monolayer H-phase VS2 crystals on SiO2/Si substrates using the APCVD technique.
单层过渡金属二硫族化合物,特别是h相二硫化钒(VS2),作为下一代低维自旋电子、光电和未来电子器件的基础元件具有重要意义。它们也为探索室温下单层h相VS2晶体的固有磁性提供了机会。然而,用偏氰酸钠(NaVO3)和硫(S)分别作为钒(V)和钒(S)的前驱体合成纯单层h相VS2晶体的实验研究有限。在这项研究中,我们提出了一种简单的常压化学气相沉积(APCVD)方法来合成厚度为~ 0.7 nm的单层h相VS2晶体。单层VS2晶体的横向尺寸可达~ 26µm。此外,我们还调节了生长参数,如NaVO3的温度和Ar气体流速,以获得不同尺寸和形态的VS2薄片。这一重大进展为利用APCVD技术在SiO2/Si衬底上合成单层h相VS2晶体铺平了道路。
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引用次数: 0
Textile Architecture for Composite Materials: Back to Basics 复合材料的纺织建筑:回归基础
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad017
Amit Rawal, Abhijit Majumdar, Vijay Kumar
Abstract In the last several decades, textile-reinforced composites have emerged as a unique class of materials offering intricate features, reduced fabrication costs, introduced multiaxial reinforcement, and enhanced damaged tolerance. Despite these benefits, textile-reinforced composites face challenges as predicting their performance often relies on heuristics and past experiences without gaining insights into the underlying structure of the textile material and its constituents. This tutorial-based mini-review aims to delve into the fundamentals of textile architecture in the context of textile-reinforced composites and provide an overview of their significant physical and structural features that influence the performance characteristics of textile-reinforced composites.
摘要在过去的几十年里,纺织增强复合材料已经成为一类独特的材料,具有复杂的特性,降低了制造成本,引入了多轴增强,增强了损伤容忍度。尽管有这些好处,但纺织增强复合材料面临着挑战,因为预测其性能通常依赖于启发式和过去的经验,而没有深入了解纺织材料及其成分的潜在结构。本教程为基础的小型审查的目的是深入到纺织建筑在纺织增强复合材料的背景下的基础知识,并提供其显著的物理和结构特征,影响纺织增强复合材料的性能特征的概述。
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引用次数: 0
Investigating the Influence of PVDF Binder Crystallinity on the Performance of LiFePO4 Cathode in Li-ion Batteries PVDF粘结剂结晶度对锂离子电池LiFePO4正极性能影响的研究
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad019
Joseph Nishanth, M Dinachandra Singh, Santu Panja, T Mani Chandran, Kumar Brajesh, Shobit Omar, Kanwar S Nalwa
Abstract Poly(vinylidene fluoride) (PVDF) has been widely utilized as a binder material in cathode as well as anode preparation for Li-ion batteries. Recent reports on water-soluble and functional binders have firmly established that even though the binder consists of only a small part of the electrode, it can significantly boost cell performance. However, no previous report has specifically explored the role of PVDF crystallinity on the performance of the LiFePO4 cathode and cell. In the present work, LiFePO4 cathodes with two different binders PVDF 1 (Kynar HSV 900), and PVDF 2 (Solef 5130) have been prepared. The PVDF binder with higher crystallinity showed more viscosity (86.3 Pa.s), higher adhesion strength (11.42 N-cm−1), and minimal electrolyte uptake (11.3%) as compared to the low crystallinity binder (32.8 Pa.s, 1.30 N-cm−1, and 18.88%). Thus, the cell having more crystalline PVDF binder showed a higher initial capacity of ∼146 mAh-g−1 and stable cyclability performance (82% capacity retention after 500 cycles) as compared to the cell with less crystalline binder PVDF (∼136 mAh-g−1 and 64%). The post-mortem analysis performed after 500 cycles of charging and discharging revealed relatively smaller cracks formed in the cathode with higher crystallinity binder, which explains its better cyclability.
摘要聚偏氟乙烯(PVDF)作为粘结剂广泛应用于锂离子电池的正极和负极制备。最近关于水溶性和功能性粘合剂的报道已经坚定地证明,即使粘合剂只占电极的一小部分,它也能显著提高电池的性能。然而,之前没有报道专门探讨PVDF结晶度对LiFePO4阴极和电池性能的影响。在本工作中,制备了两种不同粘结剂PVDF 1 (Kynar HSV 900)和PVDF 2 (Solef 5130)的LiFePO4阴极。与结晶度较低的PVDF粘合剂(32.8 Pa)相比,结晶度较高的PVDF粘合剂具有更高的粘度(86.3 Pa.s),更高的粘附强度(11.42 N-cm−1)和最小的电解质摄取(11.3%)。1.30 N-cm−1,18.88%)。因此,与具有较少结晶粘合剂PVDF (~ 136 mAh-g - 1和64%)的电池相比,具有更多结晶PVDF粘合剂的电池显示出更高的初始容量(~ 146 mAh-g - 1)和稳定的循环性能(500次循环后容量保持82%)。500次充放电循环后的事后分析表明,结晶度较高的粘结剂在阴极上形成的裂纹相对较小,说明其具有较好的可循环性。
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引用次数: 0
Adhesion of dental ceramic materials to titanium and titanium alloys: a review 牙科陶瓷材料与钛及钛合金的粘附性研究进展
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad011
I. Parushev, T. Dikova, I. Katreva, Yavor Gagov, S. Simeonov
In recent years, the application of titanium and its alloys for production of metal frameworks for metal–ceramic fixed partial dentures (FPDs) has been increasing. They are fabricated mainly by casting, CAD/CAM milling and selective laser melting. Manufacturing technologies affect the surface characteristics of the metal, which in turn affects the adhesion in the metal–ceramic system. Therefore, the purpose of the present article is to analyse the information about the adhesion of dental ceramics to pure titanium and its alloys, emphasizing the methods most commonly applied to improve adhesion. Based on the papers published last 10 years, the pure titanium and its alloys, the main technologies for their production and the porcelains applied in the fabrication of metal–ceramic FPDs are examined. It is summarized that the methods for increasing the adhesion strength of the porcelains to the titanium and Ti alloys can be classified into five large groups: mechanical, physical, chemical methods, application of bonding agents and combined treatments, as clear boundaries between them cannot be set. In the last decade, the successful technologies for improving the adhesion strength of Ti and its alloys to the porcelain usually consist of a combination of successive treatments of the metal surface. Abrasion of the titanium surface by sandblasting is most often used initially. At the next stage, a bonding agent or other type of intermediate layer of different coatings is applied to the metal, which further improves the adhesion strength to the porcelain.
近年来,钛及其合金在金属陶瓷固定局部义齿金属框架中的应用越来越多。它们主要通过铸造、CAD/CAM铣削和选择性激光熔化来制造。制造技术影响金属的表面特性,进而影响金属-陶瓷系统的附着力。因此,本文旨在分析牙科陶瓷与纯钛及其合金的附着力,重点介绍最常用的提高附着力的方法。根据近10年来发表的论文,综述了纯钛及其合金及其主要生产技术,以及用于金属陶瓷FPDs制作的陶瓷。综上所述,提高陶瓷与钛及钛合金粘接强度的方法可分为机械法、物理法、化学法、粘结剂的应用和复合处理五大类,它们之间没有明确的界限。近十年来,提高钛及其合金与瓷的结合强度的成功技术通常包括对金属表面进行连续处理的组合。最初最常用的是喷砂法对钛表面进行磨蚀。在下一阶段,在金属上涂上一种粘合剂或其他类型的不同涂层的中间层,这进一步提高了与瓷器的附着力。
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引用次数: 0
Recent progress in low-temperature CVD growth of 2D materials 二维材料低温CVD生长研究进展
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad010
Xiang Zhang, J. Lai, Tia Gray
Two-dimensional (2D) materials have emerged as a promising class of materials with unique physical and chemical properties that offer exciting prospects for various applications. Among all the synthesis methods, chemical vapor deposition (CVD) techniques have demonstrated great advantages in the large-scale production of 2D materials with a controlled thickness. One of the main challenges in the growth of 2D materials is the need for high temperatures and crystalline substrates, which restrict the scalability and compatibility of 2D materials with existing manufacturing processes, due to the high thermal budget and the necessity to transfer the 2D films to secondary substrates. Low-temperature growth methods for 2D materials have the potential to overcome this challenge and enable the integration of 2D materials into a wide range of devices and applications. In recent years, there have been substantial efforts to develop low-temperature growth techniques for different 2D materials, including graphene, hexagonal boron nitride and transition metal dichalcogenides. These methods include thermal CVD, plasma-enhanced CVD, atomic layer deposition and metal-organic chemical vapor deposition. This review not only discusses the progress in the growth but also highlights the applications of low-temperature-grown 2D materials in various fields, such as field effect transistors, sensors, photodetectors, catalysts, batteries and supercapacitors.
二维(2D)材料已成为一类有前途的材料,具有独特的物理和化学性质,为各种应用提供了令人兴奋的前景。在所有的合成方法中,化学气相沉积(CVD)技术在大规模生产厚度可控的2D材料方面显示出巨大的优势。2D材料生长中的主要挑战之一是对高温和结晶衬底的需求,这限制了2D材料与现有制造工艺的可扩展性和兼容性,这是由于高的热预算和将2D膜转移到二次衬底的必要性。2D材料的低温生长方法有可能克服这一挑战,并使2D材料能够集成到广泛的器件和应用中。近年来,人们大力开发用于不同2D材料的低温生长技术,包括石墨烯、六方氮化硼和过渡金属二硫族化合物。这些方法包括热CVD、等离子体增强CVD、原子层沉积和金属有机化学气相沉积。这篇综述不仅讨论了生长方面的进展,还强调了低温生长的2D材料在各个领域的应用,如场效应晶体管、传感器、光电探测器、催化剂、电池和超级电容器。
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引用次数: 0
Correction to: Tensile behaviour of unaged and hygrothermally aged discontinuous Bouligand structured CFRP composites 修正:未老化和湿热老化不连续Bouligand结构CFRP复合材料的拉伸行为
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad001
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引用次数: 1
Correction to: Metal-based porous hydrogels for highly conductive biomaterial scaffolds 修正:金属基多孔水凝胶用于高导电性生物材料支架
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad006
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引用次数: 2
Phase evolution and enhanced room temperature piezoelectric properties response of lead-free Ru doped BaTiO3 ceramic 无铅钌掺杂BaTiO3陶瓷的相演化及增强的室温压电性能响应
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad015
Kumar Brajesh, Sudhir Ranjan, Ashish Garg
Abstract Recent years have witnessed considerable work on the development of lead-free piezoelectric ceramic materials and their structure–property correlations. The development of piezo response is a strong function of phase evolution in these materials. In this work, we report the effect of Ru doping and consequent phase evolution on the maximization of piezoelectric response of polycrystalline lead-free barium titanate, depicted as Ba(RuxTi1-x)O3 (BRT). The samples were prepared in a narrow compositional range of 0 ≤ x ≤ 0.03 using the conventional solid-state reaction method. Ru doping increases the leakage current of BaTiO3 samples attributed to increased oxygen vacancy concentration due to substitution of Ti4+ by Ru3+. Detailed structural analysis reveals that samples exhibiting coexistence of tetragonal (space group: P4mm) and orthorhombic (space group: Amm2) structured phases near room temperature reveal relatively enhanced piezoelectric properties. The BRT sample with Ru content of 2 mol% yields a maximum longitudinal piezoelectric coefficient, d33 of ∼269 pC/N, a high strain value of 0.16% with a large remnant polarization of ∼19 µC/cm2 and a coercive field of 5.8 kV/cm. We propose that the ‘4d’ orbital of Ruthenium plays a crucial role in improving the functional properties and in decreasing the ferroelectric Curie temperature. Our work provides clues into tailoring the phase evolution for designing lead-free piezoelectric materials with enhanced piezoelectric properties.
近年来,人们对无铅压电陶瓷材料及其结构-性能相关性进行了大量的研究。压电响应的发展是这些材料中相演化的一个重要功能。在这项工作中,我们报告了Ru掺杂和随后的相演变对多晶无铅钛酸钡(描述为Ba(RuxTi1-x)O3 (BRT)的压电响应最大化的影响。采用常规固相反应方法,在0≤x≤0.03的狭窄组成范围内制备样品。Ru掺杂增加了BaTiO3样品的泄漏电流,这是由于Ru3+取代Ti4+增加了氧空位浓度。详细的结构分析表明,在室温附近四方(空间群:P4mm)和正交(空间群:Amm2)结构相共存的样品显示出相对增强的压电性能。Ru含量为2 mol%的BRT样品产生了最大的纵向压电系数,d33为~ 269 pC/N,应变值高达0.16%,残余极化为~ 19µC/cm2,矫顽力场为5.8 kV/cm。我们认为钌的“4d”轨道在改善功能性质和降低铁电居里温度方面起着至关重要的作用。我们的工作为设计具有增强压电性能的无铅压电材料提供了调整相演化的线索。
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引用次数: 0
Correction: Synthesis and structural characterizations of HAp–NaOH–Al2O3 composites for liquid petroleum gas sensing applications 更正:用于液体石油气传感应用的HAp–NaOH–Al2O3复合材料的合成和结构表征
Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2023-01-01 DOI: 10.1093/oxfmat/itad008
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引用次数: 0
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