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Accelerated O2 adsorption and stabilized *OOH for electrocatalytic H2O2 production 加速O2吸附和稳定*OOH用于电催化H2O2生产
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-07 DOI: 10.1016/j.jmst.2024.12.017
Danni Deng, Jinxian Wang, Meng Wang, Yuchao Wang, Jiabi Jiang, Yingbi Chen, Yu Bai, Qiumei Wu, Yongpeng Lei
Electrocatalytic hydrogen peroxide (H2O2) production via the two-electron oxygen reduction reaction (2e ORR) is promising, but non-metal catalysts with high selectivity are lacking. Herein, a high content of pyrrolic N doped carbon (HPNC) with small mesopores is constructed. Over 80% H2O2 selectivity at a wide potential of 0.2–0.6 V is achieved. The finite element simulation reveals that small pore-size mesopores are beneficial to O2 adsorption. And in-situ characterization proves that HPNC suppresses the breakage of O–O bond and enhances the stabilization of *OOH intermediates, thus improving the 2e ORR performance. This work highlights the combination of non-metal active sites and geometry for 2e ORR electrocatalysis.
电催化双电子氧还原反应(2e−ORR)制备过氧化氢(H2O2)是很有前途的,但缺乏高选择性的非金属催化剂。本文构建了具有小介孔的高含量吡咯烷氮掺杂碳(HPNC)。在0.2-0.6 V宽电势下,H2O2选择性达到80%以上。有限元模拟结果表明,小孔径介孔有利于O2的吸附。原位表征表明,HPNC抑制了O-O键的断裂,增强了*OOH中间体的稳定性,从而提高了2e−ORR性能。这项工作强调了非金属活性位点和2e - ORR电催化的几何结构的结合。
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引用次数: 0
Regulating d-orbital spin state of Fe in single-atom electrocatalyst for boosting oxygen reduction activity in neutral electrolyte 调节单原子电催化剂中铁的d轨道自旋态以提高中性电解质中氧还原活性
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-06 DOI: 10.1016/j.jmst.2024.11.054
Yanhui Cao, Junhao Zeng, Xuerong Zheng, Yuan Liu, Junda Lu, Jinfeng Zhang, Yang Wang, Yida Deng, Wenbin Hu
Oxygen reduction reaction (ORR) in neutral electrolyte is urgently needed in various areas, such as metal-air batteries. However, the N-coordinated transition-metal single-atom electrocatalysts confront sluggish catalytic kinetics due to the inappropriate electronic structure and the as-resulted unreasonable adsorption strength towards oxygen-containing intermediates. In this work, we develop a strategy to tune the Fe d-orbital spin state by introducing inert Si atom into the first coordination sphere of Fe-N4 moieties. The experimental and theoretical results suggest that Si atom generates the coordination field distortion of Fe and induces the Fe d-orbital spin state transforming from low to medium spin state. The optimized spin-electron filled state (t2g4eg1) of Fe sites weakens the adsorption strength to intermediates and reduces the energy barrier of *OH desorption. Consequently, Fe-Si/NC catalyst exhibits superior ORR performance compared with that of Fe-NC and commercial Pt/C, showing a more positive half-wave potential of 0.751 V (vs. RHE) in 0.1 mol/L phosphate buffered saline. In addition, Fe-Si/NC-based neutral zinc-air batteries show a maximum power density of 108.9 mW cm−2 and long-term stability for more than 200 h. This work represents the possibility of constructing distorted coordination configurations of single-atom catalysts to modulate electronic structure and enhance ORR activity in neutral electrolyte.
中性电解质中的氧还原反应(ORR)是金属-空气电池等多个领域的迫切需要。然而,N 配位过渡金属单原子电催化剂由于不合适的电子结构和对含氧中间产物不合理的吸附强度,导致催化动力学缓慢。在这项工作中,我们开发了一种通过在 Fe-N4 分子的第一配位层中引入惰性硅原子来调整 Fe d-轨道自旋态的策略。实验和理论结果表明,Si 原子产生了 Fe 的配位场畸变,诱导 Fe d-轨道自旋态从低自旋态转变为中自旋态。Fe位点的优化自旋电子填充态(t2g4eg1)削弱了对中间产物的吸附强度,降低了*OH解吸的能垒。因此,与 Fe-NC 和商用 Pt/C 相比,Fe-Si/NC 催化剂表现出更优越的 ORR 性能,在 0.1 mol/L 磷酸盐缓冲盐水中显示出 0.751 V 的正半波电位(相对于 RHE)。此外,基于 Fe-Si/NC 的中性锌-空气电池显示出 108.9 mW cm-2 的最大功率密度和超过 200 小时的长期稳定性。这项研究表明,构建单原子催化剂的扭曲配位构型可以调节电子结构并提高中性电解质中的 ORR 活性。
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引用次数: 0
Developing softening-resistant Cu-Cr alloys and understanding their mechanisms via mechanism-informed interpretable machine learning 开发抗软化Cu-Cr合金,并通过机制信息可解释的机器学习了解其机制
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-03 DOI: 10.1016/j.jmst.2024.10.053
Muzhi Ma, Zhou Li, Yuyuan Zhao, Shen Gong, Qian Lei, Yanlin Jia, Wenting Qiu, Zhu Xiao, Yanbin Jiang, Xiandong Xu, Biaobiao Yang, Chenying Shi
Cu-Cr alloys are widely applied in electronic, aerospace and nuclear industries, due to their high strength and high conductivity. However, their terrible softening resistance limits wider applications. This paper presents a novel strategy of integrating mechanism features into interpretable machine learning (ML) to develop softening-resistant Cu-Cr alloys and to understand their mechanisms. First, the mechanism features were specially designed to describe mechanisms potentially vital to softening resistance, and they were obtained through first-principles calculations. Those mechanism features that described interfacial segregation and solute diffusion exhibited significant Gini importance during feature selection. Only integrated with them, did ML models achieve great performance, accurate predictions, and successful development of Cu-0.4Cr-0.10La/Ce (wt.%) alloys with excellent softening resistance. Then, the contributions of these mechanism features to the predictions were interpreted by a game theoretic approach, but unexpectedly, they were not fully consistent with interpretations that we expected from mechanism features. Finally, investigation targeted at these inconsistencies gave novel insights into softening resistance mechanisms. The Cu-Cr-La/Ce alloys’ excellent softening resistance was not induced by a prevailing mechanism of La/Ce atoms segregating at phase interfaces, nor by an expected mechanism of La/Ce atoms improving the Cr atom jump energy barriers. Instead, it was caused by a unique mechanism in which La/Ce atoms competed with Cr atoms for vacancies and therefore depleted the available vacancies for the Cr atom jump. This paper demonstrates a new paradigm of developing softening-resistant Cu-Cr alloys and understanding their mechanisms via mechanism-informed interpretable ML.
Cu-Cr合金因其高强度和高导电性而广泛应用于电子、航空航天和核工业。然而,它们可怕的抗软化性限制了其更广泛的应用。本文提出了一种将机制特征集成到可解释机器学习(ML)中的新策略,以开发抗软化Cu-Cr合金并了解其机制。首先,机制特征是专门设计来描述可能对软化阻力至关重要的机制,它们是通过第一性原理计算获得的。这些描述界面偏析和溶质扩散的机制特征在特征选择中表现出显著的基尼系数重要性。只有与它们相结合,ML模型才能实现优异的性能,准确的预测,并成功开发出具有优异耐软化性能的Cu-0.4Cr-0.10La/Ce (wt.%)合金。然后,用博弈论的方法解释了这些机制特征对预测的贡献,但出乎意料的是,它们与我们对机制特征的预期解释并不完全一致。最后,针对这些不一致的调查为软化抵抗机制提供了新的见解。Cu-Cr-La/Ce合金优异的抗软化性能不是由La/Ce原子在相界面的分离机制引起的,也不是由La/Ce原子提高Cr原子跃迁能垒的机制引起的。相反,它是由La/Ce原子与Cr原子竞争空位的独特机制引起的,从而耗尽了Cr原子跳跃的可用空位。本文展示了一种开发抗软化Cu-Cr合金的新范式,并通过机制信息可解释的ML了解其机制。
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引用次数: 0
Exploring coating electrodeposition protocols from a cross-electrolyte and cross-metal perspective 从跨电解质和跨金属的角度探索涂层电沉积方案
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-03 DOI: 10.1016/j.jmst.2024.12.015
Qi Wang, Rui Yuan, Mengbin Yang, Wei Gao, Shuqiang Jiao, Donghua Tian, Handong Jiao, Hongying Yu, Dongbai Sun
Metal coating is a prevalent strategy for enhancing surface properties. Among the numerous methods for preparing coatings, electrodeposition stands out due to its simplicity, cost-effectiveness, and high efficiency, making it widely utilized in various metal coating applications. By meticulously selecting appropriate electrolytes and electrodeposition parameters, metal coatings with diverse structures and morphologies can be obtained, and tailored to meet specific performance requirements. As the demand for superior metal coating performance continues to rise, it is imperative to summarize and forecast electrodeposition techniques to meet the criteria for high quality and precision. This review delves into the electrodeposition preparation of several typical metal coatings in diverse electrolyte systems, including aqueous solutions, ionic liquids, deep eutectic solvents, and molten salts. We also examine the electrodeposition process on the cathode, elucidate the correlation between parameters and coating quality, and suggest future research directions. This review aims to provide valuable insights and guidance for the electrodeposition preparation of metal coatings.
金属涂层是提高表面性能的常用策略。在众多制备涂层的方法中,电沉积因其简单、经济、高效等优点而脱颖而出,广泛应用于各种金属涂层。通过精心选择合适的电解质和电沉积参数,可以获得具有不同结构和形态的金属涂层,并根据特定的性能要求进行定制。随着对金属镀层性能要求的不断提高,总结和预测电沉积技术以满足高质量和高精度的要求势在必行。本文综述了几种典型金属镀层在不同电解质体系中的电沉积制备,包括水溶液、离子液体、深共晶溶剂和熔盐。研究了阴极上的电沉积过程,阐明了参数与镀层质量的关系,并提出了今后的研究方向。本文综述旨在为电沉积金属镀层的制备提供有价值的见解和指导。
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引用次数: 0
Zinc doped amorphous calcium phosphate integrated GBR module role in facilitating bone augmentation via immunostimulation of osteogenesis 锌掺杂无定形磷酸钙集成GBR模块通过免疫刺激成骨促进骨增强的作用
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-02 DOI: 10.1016/j.jmst.2024.12.014
Shuze Wang, Caihao Huang, Xiyue Zhang, Lei Cao, Yuzhong Gao, Qiang Wang, Qing Zhou, Rui Yang, Xing Zhang, Zhenning Li
Guided bone regeneration in the alveolar bone relies on the colonization and differentiation of immune cells within the defect area. The absence of osteoinductive and osteoimmune properties of currently available scaffolds hinders to achieve optimal repair outcomes in clinical settings. Thus, we aimed to enhance the bone repair ability of polycaprolactone (PCL) scaffolds by incorporating osteoinductive amorphous calcium phosphate (ACP) with immune-regulating zinc ions (ACP(Zn), ACZP), to create a favorable immunomodulatory microenvironment. After one day of co-culture with PCL-ACZP, the spreading area of macrophage cells can reach 47.6%, 2.7 times of that from the original PCL scaffold. Additionally, over 32.1% of macrophages exhibited M2 polarization was observed within three days of co-culture. The PCL-ACZP/macrophage-conditioned medium significantly boosted osteogenic gene expression in MC3T3-E1 cells. After eight weeks of implantation in a rat femoral condyle defect, the BV/TV from the PCL-ACZP group reached 32.9%, 1.4 times of that from the PCL group. Furthermore, the PCL-ACZP-GelMA biphasic module as prepared successfully achieved complete regeneration of three-walled alveolar bone defects in rabbits, resulting in arch-shaped alveolar bone repair and providing greater convenience in the clinical settings. This study showcased the effectiveness of PCL-ACZP-GelMA biphasic module as bioactive scaffolds in the morphological restoration of alveolar bone.
引导牙槽骨再生依赖于缺损区域内免疫细胞的定植和分化。目前可用的支架缺乏骨诱导和骨免疫特性,阻碍了在临床环境中实现最佳修复效果。因此,我们旨在通过将骨诱导无定形磷酸钙(ACP)与免疫调节锌离子(ACP(Zn), ACZP)结合,增强聚己内酯(PCL)支架的骨修复能力,创造良好的免疫调节微环境。与PCL- aczp共培养1天后,巨噬细胞扩散面积可达47.6%,是原PCL支架的2.7倍。此外,在共培养的3天内,超过32.1%的巨噬细胞出现M2极化。PCL-ACZP/巨噬细胞条件培养基显著促进MC3T3-E1细胞成骨基因表达。植入大鼠股骨髁缺损8周后,PCL- aczp组BV/TV达到32.9%,是PCL组的1.4倍。此外,制备的PCL-ACZP-GelMA双相模块成功实现了家兔三壁牙槽骨缺损的完全再生,实现了弓状牙槽骨修复,为临床提供了更大的便利。本研究展示了PCL-ACZP-GelMA双相模块作为生物活性支架在牙槽骨形态修复中的有效性。
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引用次数: 0
Tunable pH-responsive HMSNs-g-PDEAEMA as integrated corrosion inhibition and emulsification multi-functional nanocontainer 可调ph响应型hmsn -g- pdeaema作为综合缓蚀乳化多功能纳米容器
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-02 DOI: 10.1016/j.jmst.2024.11.053
Huiling Su, Zhikun Wang, Jianqiang Zhang, Nannan Cui, Fengting Li, Miantuo Li, Wentao Qu, Xupeng Li, Jiaqi Feng, Songqing Hu
Responsive nanocontainers have dual functions in targeted delivery of corrosion inhibitors and emulsion development of shale oil in oil and gas fields, exhibiting potential for simultaneously achieving metal protection and efficient oil and gas development from a material perspective. Here, we propose the preparation of a pH-responsive nanocontainer, HMSNs-g-PDEAEMA (poly [2-(N, N-diethyl amino)-ethyl-methacrylate] (PDEAEMA) grafted onto hollow mesoporous spherical silica (HMSNs)), to integrate the delivery of 2-mercaptobenzothiazole (MBT)) for targeted corrosion inhibition and the emulsification of oil as Pickering emulsifiers. Under acidic conditions (reduced pH value caused by localized corrosion or high concentration acidic gases), PDEAEMA chains are protonated and extended by electrostatic repulsion, exposing pores on HMSNs surface and allowing the controlled release of loaded MBT molecules. Once transforming into a neutral or alkaline environment, the responsive release of the MBT process is inhibited. After the fluid passes through the wellbore and enters the shale layer, the HMSNs-g-PDEAEMA nanocontainers act as Pickering emulsifiers to achieve emulsification. The emulsified oil can be extracted onto the ground more efficiently, and a following pH-responsive demulsification process can be achieved. Overall, through a pH-responsive nanocontainer material, the dual function of corrosion inhibition and emulsification in oil and gas development is possible to be simultaneously achieved.
响应式纳米容器在缓蚀剂定向输送和页岩油乳化液开发方面具有双重功能,从材料的角度来看,它具有同时实现金属保护和高效油气开发的潜力。在这里,我们提出了一种ph响应纳米容器的制备,hmsn -g-PDEAEMA(聚[2-(N, N-二乙基氨基)-甲基丙烯酸乙酯](PDEAEMA)接枝到中空介孔球形二氧化硅(HMSNs)上,以整合2-巯基苯并噻唑(MBT)的递送,用于靶向缓蚀和油的乳化,作为Pickering乳化剂。在酸性条件下(局部腐蚀或高浓度酸性气体导致pH值降低),PDEAEMA链在静电斥力作用下质子化并延伸,暴露HMSNs表面的孔隙,使负载的MBT分子可控释放。一旦转化为中性或碱性环境,反应性释放的MBT过程被抑制。当流体穿过井筒进入页岩层后,hmsn -g- pdeaema纳米容器起到Pickering乳化剂的作用,实现乳化作用。乳化油可以更有效地提取到地面上,并且可以实现以下ph响应破乳过程。总的来说,通过ph响应纳米容器材料,可以同时实现油气开发中的缓蚀和乳化双重功能。
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引用次数: 0
Biomass-derived oriented carbon aerogels with integrated high-performance microwave absorption and thermal insulation 集高性能微波吸收和隔热于一体的生物质衍生定向碳气凝胶
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-01-01 DOI: 10.1016/j.jmst.2024.11.051
Huanqin Zhao, Xin Yang, Jiachen Sun, Hualiang Lv, Xiaohuan Liu, Xuke He, Changqin Jin, Renchao Che
Three-dimensional (3D) carbon aerogel with high porosity and lightweight merit has emerged as an important high-performance electromagnetic (EM) absorption material. Despite great progress has been made, most reported 3D carbon aerogels suffer from non-renewability and high cost. Moreover, the randomly distributed porous structure restricts the effective regulation of microwave absorption. Herein, the sustainable shaddock peel cellulose (SPC) was adopted to construct an ultralight and orientated carbon aerogel through a facile bidirectional freezing technique and subsequently thermal treatment process. The resultant carbon aerogel is composed of ordered lamellar layers interconnected by supported bridges, forming a continuous 3D conductive network. Addition of a small amount of graphene oxides (GO) nanosheets in biomass aerogel enhances the interaction of SPC and promotes electron transmission along 3D conductive network. Through tuning the lamellar spacing of aerogel, the as-prepared carbon aerogel achieves a remarkable microwave absorption property with a strong reflection loss (RL) of -63.0 dB and broad effective absorption bandwidth (EAB) of 7.0 GHz under ultralow filler content of 4 wt.%. Moreover, this carbon aerogel also demonstrates excellent thermal insulation property, and is even comparable to commercial products. The present work paves the way for designing low-cost and sustainable biomass-derived carbon aerogel for lightweight and high-performance microwave absorption and infrared stealth function.
三维碳气凝胶具有高孔隙率和轻量化的优点,是一种重要的高性能电磁吸收材料。尽管已经取得了很大的进展,但大多数报道的3D碳气凝胶都存在不可再生性和高成本的问题。此外,随机分布的多孔结构限制了微波吸收的有效调节。本文采用可持续柚子皮纤维素(SPC),通过简单的双向冷冻技术和随后的热处理工艺,构建了一种超轻定向碳气凝胶。所得的碳气凝胶由有序的层状层组成,通过支撑桥相互连接,形成连续的3D导电网络。在生物质气凝胶中加入少量氧化石墨烯(GO)纳米片,增强了SPC的相互作用,促进了电子沿三维导电网络的传输。通过调整气凝胶片层间距,制备的碳气凝胶在超低填料含量为4 wt.%的情况下,具有-63.0 dB的强反射损耗(RL)和7.0 GHz的宽有效吸收带宽(EAB)。此外,这种碳气凝胶还表现出优异的隔热性能,甚至可以与商业产品相媲美。本研究为设计低成本、可持续的生物质碳气凝胶铺平了道路,该材料具有轻质、高性能的微波吸收和红外隐身功能。
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引用次数: 0
A new strategy for preparing high strength diffusion-bonded Ni-based superalloy joints at ultra-low temperature via surface nanocrystallization and spark plasma sintering 超低温表面纳米晶化和火花等离子烧结制备高强度扩散连接镍基高温合金接头的新策略
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-31 DOI: 10.1016/j.jmst.2024.11.050
Tong Wu, Ce Wang, Yuyuan Liu, Qiuguang Zhang, Panpan Lin, Xin Yue, Tiesong Lin, Peng He
The challenge of low temperature and rapid diffusion bonding of a Ni-based superalloy was hereby addressed by using a Ni nano-coating and a spark plasma sintering (SPS). It successfully produced a Ni-based superalloy joint with 337 MPa shear strength at 500°C for 30 min, which is approximately 400°C lower than the traditional hot pressure diffusion bonding (HPDB) temperature. The microstructure and mechanical properties of the joints were systematically investigated. It is revealed that the pulsed current and ultra-fine grains (19 nm) in the Ni nano-coating could significantly facilitate voids closure. The voids closure mechanisms involved (i) pulsed current strengthened plastic deformation, (ii) pulsed current strengthened surface source diffusion, (iii) pulsed current strengthened bonding interface diffusion, (iv) grain growth dividing the initial large voids into nano-voids, and (v) massive grain boundaries (GBs), lattice defects, and local high-temperature strengthened GBs diffusion. Furthermore, the GBs migration across the interface was investigated, and the results revealed that the GBs migration and fine grains (350 nm) near the bonding interface together increased the joint strength.
采用镍纳米涂层和放电等离子烧结技术(SPS)解决了镍基高温合金低温快速扩散连接的难题。在500℃、30 min条件下成功制备出抗剪强度为337 MPa的镍基高温合金接头,比传统热压扩散连接(HPDB)温度低约400℃。系统地研究了接头的组织和力学性能。结果表明,脉冲电流和超细颗粒(19 nm)可以显著促进镍纳米涂层的闭合。孔洞闭合机制包括:(1)脉冲电流强化塑性变形,(2)脉冲电流强化表面源扩散,(3)脉冲电流强化键合界面扩散,(4)晶粒生长将初始大孔洞划分为纳米孔洞,以及(5)块状晶界(GBs)、晶格缺陷和局部高温强化GBs扩散。此外,研究了GBs在界面上的迁移,结果表明,GBs的迁移和界面附近的细晶粒(350 nm)共同提高了结合强度。
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引用次数: 0
Temperature dependence of incomplete martensitic transformation and elastocaloric properties of superelastic NiTi: Experiment and phase-field simulation 超弹性NiTi不完全马氏体相变与弹热性能的温度依赖性:实验与相场模拟
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-31 DOI: 10.1016/j.jmst.2024.11.052
Junyu Chen, Qi Zhang, Boxin Wei, Wenqiang Wang, Wenjing Zhang, Liping Lei, Upadrasta Ramamurty, Gang Fang
Partial phase transformation in NiTi-based refrigerants usually enables efficient and durable elastocaloric cooling, but its thermomechanical behavior with varying temperatures remains unclear. Keeping this in view, the elastocaloric effect of NiTi under incomplete transformation across 15–100°C is investigated and a superelastic deformation window between 25–85°C is identified. Synchronous infrared thermography and digital image correlation, and an innovative macro-micro phase-field model are employed to examine martensitic transformation and elastocaloric properties of NiTi within the superelastic window. Experimental and simulated results consistently reveal that the spatiotemporal thermal profiles correlate with Lüders strain band evolution. As superelastic deformation temperature increases, strain localization intensifies, with Lüders bands favoring an inward strain growth over an outward expansion, resulting in a smaller yet more deformed martensitic transformation zone. The aggravated strain inhomogeneity makes the local endothermic undercooling tested at 85°C up to about twice (−30.05°C) that at 25°C (−15.32°C), boosting the global cooling capacity by 65%, despite constant strain. The seeming contradiction between the larger elastocaloric effect and the narrower apparent martensitic transformation zone is elucidated by recourse to the simulations. It is found that the martensitic transformation within the Lüders bands is incomplete, proceeding in a macroscopically uniform but microscopically heterogeneous manner. Elevated temperatures within the superelastic window increase the transformed volume fraction and enhance martensitic transformation, thereby strengthening the global caloric effect. The work sheds light on the interplay between partial martensitic transformation and thermal behavior in NiTi under varying superelastic deformation temperatures, providing insights for advanced elastocaloric cooling applications.
镍基制冷剂的部分相变通常能够实现高效和持久的弹性热冷却,但其在不同温度下的热力学行为尚不清楚。考虑到这一点,研究了NiTi在15-100°C不完全转变下的弹热效应,并确定了25-85°C之间的超弹性变形窗口。采用同步红外热成像和数字图像相关技术,以及创新的宏观-微观相场模型,研究了NiTi在超弹性窗口内的马氏体相变和弹热性能。实验和模拟结果一致表明,时空热分布与l ders应变带演化相关。随着超弹性变形温度的升高,应变局部化加剧,l德氏带倾向于向内应变增长而不是向外扩展,导致马氏体转变区更小但更变形。应变不均匀性的加剧使得85°C下的局部吸热过冷量达到25°C(- 15.32°C)下的约两倍(- 30.05°C),在恒定应变条件下,将整体冷却能力提高了65%。通过模拟,阐明了较大的弹性热效应与较窄的马氏体相变区之间的矛盾。发现l德氏带内的马氏体相变是不完全的,宏观上是均匀的,微观上是不均匀的。超弹性窗口内温度的升高增加了相变体积分数,增强了马氏体相变,从而增强了整体热效应。这项工作揭示了在不同的超弹性变形温度下,NiTi的部分马氏体转变和热行为之间的相互作用,为先进的弹热冷却应用提供了见解。
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引用次数: 0
Oxygen vacancies at antiphase boundaries in cation-disordered spinel ferrite 阳离子无序尖晶石铁氧体反相界面上的氧空位
IF 10.9 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-12-31 DOI: 10.1016/j.jmst.2024.11.048
Zhenhua Zhang, Jinhu Wang, Chenglong Hu, Sateesh Bandaru, Xuefeng Zhang
Antiphase boundaries (APBs) are intrinsic defects in Fe3O4 films that significantly alter their magnetic and transport properties compared to the bulk material due to antiferromagnetic interactions across these boundaries. In the study, we realize ferromagnetically coupled APBs in spinel ferrite by cation disorder and oxygen vacancy defects. Ni and Zn are introduced into Fe3O4 to form Ni and NiZn ferrites and cation disorder is found in the two ferrites with Ni and Zn occupied in both octahedral and tetrahedral sites. This disorder transforms the ferrites from semiconductors into half-metals, characterized by a nonzero majority spin density of states (DOS) and a zero minority spin DOS at Fermi level. The stacking fault of the cations (Fe, Ni, Zn) at the APB induces excess negative charges, leading to the formation of oxygen vacancies as charge compensators. These vacancies disrupt the antiferromagnetic superexchange interactions, preventing spin polarization reversal across the APB, thereby enabling ferromagnetic coupling. This work provides insights into tuning the magnetic properties of APBs in spinel ferrites through defect engineering and cation manipulation.
反相边界(APBs)是Fe3O4薄膜中的固有缺陷,由于这些边界上的反铁磁相互作用,与块状材料相比,显著改变了其磁性和输运性能。在本研究中,我们利用阳离子无序和氧空位缺陷在尖晶石铁氧体中实现了铁磁偶联apb。将Ni和Zn引入到Fe3O4中形成Ni和NiZn铁氧体,在这两种铁氧体中发现Ni和Zn同时占据八面体和四面体位置的阳离子无序现象。这种无序将铁氧体从半导体转变为半金属,其特征是在费米能级上非零多数自旋态密度(DOS)和零少数自旋态密度。阳离子(Fe, Ni, Zn)在APB处的层错导致了过量的负电荷,从而形成氧空位作为电荷补偿器。这些空位破坏了反铁磁超交换相互作用,阻止了APB上的自旋极化反转,从而实现了铁磁耦合。这项工作为通过缺陷工程和阳离子操纵来调整尖晶石铁氧体中apb的磁性提供了见解。
{"title":"Oxygen vacancies at antiphase boundaries in cation-disordered spinel ferrite","authors":"Zhenhua Zhang, Jinhu Wang, Chenglong Hu, Sateesh Bandaru, Xuefeng Zhang","doi":"10.1016/j.jmst.2024.11.048","DOIUrl":"https://doi.org/10.1016/j.jmst.2024.11.048","url":null,"abstract":"Antiphase boundaries (APBs) are intrinsic defects in Fe<sub>3</sub>O<sub>4</sub> films that significantly alter their magnetic and transport properties compared to the bulk material due to antiferromagnetic interactions across these boundaries. In the study, we realize ferromagnetically coupled APBs in spinel ferrite by cation disorder and oxygen vacancy defects. Ni and Zn are introduced into Fe<sub>3</sub>O<sub>4</sub> to form Ni and NiZn ferrites and cation disorder is found in the two ferrites with Ni and Zn occupied in both octahedral and tetrahedral sites. This disorder transforms the ferrites from semiconductors into half-metals, characterized by a nonzero majority spin density of states (DOS) and a zero minority spin DOS at Fermi level. The stacking fault of the cations (Fe, Ni, Zn) at the APB induces excess negative charges, leading to the formation of oxygen vacancies as charge compensators. These vacancies disrupt the antiferromagnetic superexchange interactions, preventing spin polarization reversal across the APB, thereby enabling ferromagnetic coupling. This work provides insights into tuning the magnetic properties of APBs in spinel ferrites through defect engineering and cation manipulation.","PeriodicalId":16154,"journal":{"name":"Journal of Materials Science & Technology","volume":"334 1","pages":""},"PeriodicalIF":10.9,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142905166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
Journal of Materials Science & Technology
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