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Effect of precursor state on the formation of triphase (SmCo7 + SmCo3)/Fe(Co) magnets 前驱体状态对三相(SmCo7 + SmCo3)/铁(Co)磁体形成的影响
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1016/j.jmmm.2024.172666
Jieqiong Gao, Xiaohong Li, Tiancong Li, Li Lou, Yingxin Hua, Jinyi Wang, Yiran Li, Defeng Guo
The combination of fabrication of a precursor and subsequent thermal treatments is an effective strategy for crafting multi-phase SmCo-based nanocomposite magnets. However, a comprehensive understanding of the effect of precursor state on the formation of multiphase magnets has yet to be fully explored. In this study, Sm(CoFeCuZr)/Fe(Co) of precursors were prepared via mechanical alloying. The precursor state was tailored by adjusting the ball milling process, as well as the content and composition of soft magnetic phase. The amorphization degree of the SmCo phase, the atomic ratio of Sm:Co in the SmCo alloy, and the content of Fe(Co) in the precursor increase with the increasing ball milling time, the increase in the content of the soft phase and the proportion of Fe within the soft phase. And this resulted in an increase in the content of Fe(Co) and SmCo3 phases but a decrease in the content of SmCo7 phase in samples annealed at 400–720 °C. This further led to an increase in the saturation magnetization and a decrease in the coercivity of the triphase (SmCo7 + SmCo3)/Fe(Co) magnet. The mechanisms responsible for the precursor state control and the formation of the triphase magnet were investigated.
结合前驱体的制造和随后的热处理是制作基于钐钴的多相纳米复合磁体的有效策略。然而,关于前驱体状态对多相磁体形成的影响的全面了解还有待充分探索。本研究通过机械合金化方法制备了 Sm(CoFeCuZr)/Fe(Co) 前驱体。通过调整球磨工艺以及软磁相的含量和成分,对前驱体状态进行了定制。钐钴相的非晶化程度、钐钴合金中 Sm:Co 的原子比以及前驱体中 Fe(Co) 的含量随着球磨时间的增加、软磁相含量的增加以及软磁相中 Fe 的比例的增加而增加。这导致在 400-720 °C 下退火的样品中,Fe(Co) 和 SmCo3 相的含量增加,但 SmCo7 相的含量减少。这进一步导致了三相(SmCo7 + SmCo3)/铁(Co)磁体饱和磁化率的增加和矫顽力的降低。我们研究了前驱体状态控制和三相磁体形成的机制。
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引用次数: 0
A magnetically controlled bio-inspired cobweb soft robot based on structural topology optimization 基于结构拓扑优化的磁控生物启发蜘蛛网软机器人
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-14 DOI: 10.1016/j.jmmm.2024.172649
Yizhe Zhu, Yuchen Jin, Zewen Gu, Da Zhao, Jianlin Liu
Magnetically controlled micro-soft robots have been widely used in precise drug delivery and treatment of the gastrointestinal tract due to their advantages of high flexibility, environmental adaptability and non-contact control. Current micro-soft robots usually employ simple configurations and homogeneous materials, which limits their deformation and movement capacities. Therefore, it is of great significance to make a comprehensive investigation on the properties of key elastic structures of micro-soft robots with complex configurations. In the present work we conduct a systematic study on the design, preparation, experiments and simulations of the common disc-shaped robot and the proposed bio-inspired cobweb robot. Firstly, the topology optimization strategies are developed to design the configuration of the bio-inspired cobweb robot. Then, two kinds of robots are prepared by the mold manufacturing method of mixing NdFeB particles and silica gel solution in a certain proportion and pouring. Next, the magnetic control deformation experiments on these two kinds of robots are carried out, and the corresponding force-magnetic coupling model is established. The simulation and experimental results of the longitudinal and lateral displacement and the deflection on a specific path are compared and analyzed, which validates the accuracy of the simulation model. Finally, based on the developed numerical model, the effects of different residual magnetization and different magnet positions of the driving force of the cobweb structure are further predicted. The results indicate that the topologically optimized cobweb robot presents better deformation and movement capacities under the same size. These findings shed new light on engineering soft robots with complicated configurations and improved capacity than existing soft robots.
磁控微软机器人具有灵活性高、环境适应性强、非接触控制等优点,已广泛应用于胃肠道的精确给药和治疗。目前的微软机器人通常采用简单的结构和均质材料,这限制了其变形和运动能力。因此,对具有复杂构型的微型软体机器人的关键弹性结构特性进行全面研究具有重要意义。在本研究中,我们对常见的圆盘形机器人和拟议的生物启发蜘蛛网机器人的设计、制备、实验和仿真进行了系统研究。首先,我们开发了拓扑优化策略来设计生物启发蜘蛛网机器人的构型。然后,通过将钕铁硼颗粒和硅胶溶液按一定比例混合并浇注的模具制造方法制备了两种机器人。接着,对这两种机器人进行了磁控变形实验,并建立了相应的力磁耦合模型。对比分析了特定路径上的纵向、横向位移和挠度的仿真和实验结果,验证了仿真模型的准确性。最后,基于所建立的数值模型,进一步预测了不同残余磁化和不同磁体位置对蛛网结构驱动力的影响。结果表明,拓扑优化后的蜘蛛网机器人在相同尺寸下具有更好的变形和移动能力。这些发现为具有复杂结构的软体机器人的工程设计提供了新的思路,同时也提高了软体机器人的能力。
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引用次数: 0
Textured CoZn-18H hexaferrite with enhanced Snoek’s product and suppressed magnetic loss 纹理 CoZn-18H 六价铁氧体具有更强的斯诺克积和更低的磁损
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1016/j.jmmm.2024.172663
Donglin He , Liangrui Tan , Peng Wang , Zhibiao Xu , Qinglin Li , Tao Wang
Modern communications have created a great demand of magneto-dielectric functional materials having low loss and high permeability properties under the sub-6 GHz band. CoZn-18H planar hexagonal ferrites with strong magnetic anisotropy are more promising in meeting these requirements than that of traditional ferrites. The textured CoZn-18H hexagonal ferrites were synthesized by the reactive templated grain growth (RTGG) method to obtain high magnetic resonance frequency without sacrificing permeability. The layered texture composed of flaky hexagonal particles with a high aspect ratio played an important role in obtaining high permeability and high magnetic resonance frequency. The permeability μ, magnetic loss tangent tan δμ, and performance factor (PF) of the textured CoZn-18H hexagonal ferrite with the highest Snoek’s product (SP = 6.99 GHz) under 3.41 GHz were 1.66, 0.10, and 56.61 GHz, respectively. Compared with the traditional pure dielectric substrate, a planar inverted F antenna (PIFA) working at 3.0 GHz with a miniaturization rate of 18.1 % was simulated based on the textured CoZn-18H hexagonal ferrite. These results demonstrated that the method of preparing textured CoZn-18H hexagonal ferrites without the application of a magnetic field was effective and revealed the potential of textured planar hexagonal ferrites synthesized by the RTGG method of high-frequency and low-loss applications.
现代通信对 6 GHz 以下频段具有低损耗和高磁导率特性的磁介质功能材料提出了巨大需求。与传统铁氧体相比,具有强磁各向异性的 CoZn-18H 平面六方铁氧体更有希望满足这些要求。为了在不牺牲磁导率的情况下获得高磁共振频率,我们采用反应模板晶粒生长(RTGG)方法合成了纹理 CoZn-18H 六方铁氧体。由高纵横比的片状六方颗粒组成的层状纹理在获得高磁导率和高磁共振频率方面发挥了重要作用。在 3.41 GHz 下,具有最高斯诺克乘积(SP = 6.99 GHz)的纹理 CoZn-18H 六方铁氧体的磁导率 μ′、磁损正切 tan δμ 和性能系数(PF)分别为 1.66、0.10 和 56.61 GHz。与传统的纯介质基板相比,基于纹理 CoZn-18H 六方铁氧体模拟了工作频率为 3.0 GHz 的平面倒 F 天线(PIFA),其小型化率为 18.1%。这些结果表明,无磁场制备纹理 CoZn-18H 六方铁氧体的方法是有效的,并揭示了用 RTGG 方法合成的纹理平面六方铁氧体在高频和低损耗应用方面的潜力。
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引用次数: 0
Design and performance analysis of a vibration energy harvesting magnetorheological damper 振动能量采集磁流变阻尼器的设计与性能分析
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1016/j.jmmm.2024.172664
Guoliang Hu , Weizheng Lei , Xingsheng Xi , Tiannan Xu , Tongfei Tian
Magnetorheological (MR) dampers have a promising application in vehicle semi-active suspension system, but the direct application of MR dampers in vehicle semi-active suspension system inevitably requires a large amount of electrical energy from the on-board battery and there will be a power failure problem. At the same time, mechanical energy is converted into heat due to the friction between the cylinder and the damper piston of the MR damper. In order to avoid excessive energy waste and realize the self-powered supply of the MR damper to a certain extent, a new vibration energy harvesting MR damper (VEHMRD) is developed in this paper. First, energy harvesting, damping force and self-powered mathematical models are established. Then, the structural parameters of the proposed VEHMRD are designed, and the multi-objective water-cycle algorithm is applied to find out the optimal parameters of the proposed MR damper. Power generation and damping performance are simulated using Comsol software. Finally, a prototype is fabricated, and the power generation, damping force, and self-power ability of the VEHMRD are also tested. The experimental results are also compared with the simulated ones. The results show that the experimental induction voltage is lower than the simulated one with an error of about 15 %. The difference between the experimental damping force and the simulated damping force is small, with an error within 6 %, and the maximum damping force is about 1800 N at an applied current of 1.75A. When the collected electric energy is rectified and supplied to the MR damper, the damping force can reach over 400 N. The developed VEHMRD has a higher vibration energy harvesting capability. When powered by an external power source, the damping performance of the proposed MR damper is good. In addition, it can provide a certain damping force even when self-powered.
磁流变(MR)减振器在汽车半主动悬架系统中具有广阔的应用前景,但在汽车半主动悬架系统中直接应用磁流变减振器不可避免地需要从车载电池中获取大量电能,并会出现断电问题。同时,由于 MR 减振器的气缸和减振器活塞之间的摩擦,机械能会转化为热能。为了避免过多的能量浪费,并在一定程度上实现 MR 阻尼器的自供电,本文开发了一种新型振动能量采集 MR 阻尼器(VEHMRD)。首先,建立了能量采集、阻尼力和自供电数学模型。然后,设计了所提 VEHMRD 的结构参数,并应用多目标水循环算法找出了所提磁共振阻尼器的最优参数。使用 Comsol 软件模拟了发电和阻尼性能。最后,制作了原型,并测试了 VEHMRD 的发电量、阻尼力和自发电能力。实验结果也与模拟结果进行了比较。结果显示,实验感应电压低于模拟电压,误差约为 15%。实验阻尼力与模拟阻尼力之间的差异很小,误差在 6% 以内,在施加 1.75A 电流时,最大阻尼力约为 1800 N。所开发的 VEHMRD 具有更高的振动能量收集能力。当由外部电源供电时,所提出的磁共振阻尼器具有良好的阻尼性能。此外,即使在自供电的情况下,它也能提供一定的阻尼力。
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引用次数: 0
Influence of atomic substitution on the structural stability and half-metallicity of Fe2-xCrxCoSi (x = 0 to 1) alloys 原子置换对 Fe2-xCrxCoSi(x = 0 至 1)合金结构稳定性和半金属性的影响
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-13 DOI: 10.1016/j.jmmm.2024.172648
Subrata Biswas, Perumal Alagarsamy, Ananthakrishnan Srinivasan
Bulk Fe2-xCrxCoSi (x = 0, 0.25, 0.5, 0.75, and 1) Heusler alloys have been prepared by arc melting method. Alloys with 0 ≤ x ≤ 0.75 show a highly ordered phase pure XA structure. However, 17 % of an impurity (A15 phase) was detected in the alloy with x = 1. The saturation magnetization (Ms) and Curie temperature (TC) decreased linearly with an increase in Cr content for alloys with x ≤ 0.75. Ms measured at 5 K followed the Slater–Pauling rule for half-metals. Ab initio calculations with the GGA + U approach revealed that spin polarization (P) increased with an increase in Cr and eventually reached 100 % for the alloys with x = 0.5. Though Fe-Co disorder affects P, it is still high (>98 %) for alloys with x ≥ 0.5. Despite the smaller bandgap (0.61 eV) of Fe1.5Cr0.5CoSi than FeCrCoSi (0.91 eV), it has higher Ms, elevated TC, and 100 % P. These factors, coupled with the challenges associated with obtaining phase pure FeCrCoSi alloy, make Fe1.5Cr0.5CoSi a preferred candidate for spintronic device applications.
通过电弧熔化法制备了块状 Fe2-xCrxCoSi(x = 0、0.25、0.5、0.75 和 1)Heusler 合金。0 ≤ x ≤ 0.75 的合金显示出高度有序的纯 XA 相结构。然而,在 x = 1 的合金中检测到了 17% 的杂质(A15 相)。对于 x ≤ 0.75 的合金,饱和磁化(Ms)和居里温度(TC)随着铬含量的增加而线性降低。5 K 时测得的 Ms 符合半金属的 Slater-Pauling 规则。采用 GGA + U 方法进行的 Ab initio 计算显示,自旋极化(P)随着铬含量的增加而增加,最终在 x = 0.5 的合金中达到 100%。虽然铁-钴无序会影响自旋极化,但 x ≥ 0.5 的合金的自旋极化仍然很高(98%)。尽管 Fe1.5Cr0.5CoSi 的带隙(0.61 eV)小于 FeCrCoSi(0.91 eV),但它具有更高的 Ms、更高的 TC 和 100% 的 P。
{"title":"Influence of atomic substitution on the structural stability and half-metallicity of Fe2-xCrxCoSi (x = 0 to 1) alloys","authors":"Subrata Biswas,&nbsp;Perumal Alagarsamy,&nbsp;Ananthakrishnan Srinivasan","doi":"10.1016/j.jmmm.2024.172648","DOIUrl":"10.1016/j.jmmm.2024.172648","url":null,"abstract":"<div><div>Bulk Fe<sub>2-</sub><em><sub>x</sub></em>Cr<em><sub>x</sub></em>CoSi (<em>x</em> = 0, 0.25, 0.5, 0.75, and 1) Heusler alloys have been prepared by arc melting method. Alloys with 0 ≤ <em>x</em> ≤ 0.75 show a highly ordered phase pure <em>XA</em> structure. However, 17 % of an impurity (<em>A</em>15 phase) was detected in the alloy with <em>x</em> = 1. The saturation magnetization (<em>M</em><sub>s</sub>) and Curie temperature (<em>T</em><sub>C</sub>) decreased linearly with an increase in Cr content for alloys with <em>x</em> ≤ 0.75. <em>M</em><sub>s</sub> measured at 5 K followed the Slater–Pauling rule for half-metals. <em>Ab initio</em> calculations with the GGA + U approach revealed that spin polarization (<em>P</em>) increased with an increase in Cr and eventually reached 100 % for the alloys with <em>x</em> = 0.5. Though Fe-Co disorder affects <em>P</em>, it is still high (&gt;98 %) for alloys with <em>x</em> ≥ 0.5. Despite the smaller bandgap (0.61 eV) of Fe<sub>1.5</sub>Cr<sub>0.5</sub>CoSi than FeCrCoSi (0.91 eV), it has higher <em>M</em><sub>s</sub>, elevated <em>T</em><sub>C</sub>, and 100 % <em>P</em>. These factors, coupled with the challenges associated with obtaining phase pure FeCrCoSi alloy, make Fe<sub>1.5</sub>Cr<sub>0.5</sub>CoSi a preferred candidate for spintronic device applications.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"612 ","pages":"Article 172648"},"PeriodicalIF":2.5,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142660799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Statistical modeling of soft magnetic composites’ permeability 软磁复合材料磁导率的统计建模
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1016/j.jmmm.2024.172646
Frédéric Mazaleyrat
Soft magnetic composites (SMC) also known as powder cores are widely used in many applications because of their linearity, controllable permeability and isotropy. Because of the distributed air gap, the permeability is governed by the inner demagnetizing fields. To model the permeability dependence on the filling fraction, essentially two approaches are used both based on spatial periodicity hypothesis: the non magnetic grain boundary model and the effective medium theory. Actually, the first one works only for dense materials and the second works at low concentration. Both need fitting of two parameters, the inner demagnetizing factor and the particle susceptibility, just because the periodicity hypothesis is never verified for magnetic filling factors larger than 20%. A breakaway model is proposed based on the computation of mathematical esperance of the statistical distribution of magnetic chains and the subsequent determination of demagnetizing coefficient of an ellipsoid of equivalent aspect ratio. The model is collated with permeability data from the literature for spherical or non-spherical particles based SMCs and shows a excellent agreement with only one or even without fitting parameter in the whole concentration range.
软磁复合材料(SMC)又称粉芯,因其线性、可控磁导率和各向同性而被广泛应用于许多领域。由于存在分布式气隙,磁导率受内部退磁磁场的影响。为了模拟磁导率与填充分数的关系,主要有两种基于空间周期性假设的方法:非磁晶界模型和有效介质理论。实际上,前者只适用于致密材料,后者适用于低浓度材料。这两种方法都需要拟合两个参数,即内部退磁因子和颗粒感磁率,因为磁填充因子大于 20% 时,周期性假说从未得到验证。在计算磁链统计分布的数学参数以及随后确定等效长宽比椭圆体的退磁系数的基础上,提出了一种断裂模型。该模型与文献中基于球形或非球形颗粒的 SMC 的磁导率数据进行了核对,结果表明,在整个浓度范围内,只需一个拟合参数或甚至不需要拟合参数就能获得极佳的一致性。
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引用次数: 0
Magnetization mechanisms for non-destructive evaluation of low-carbon steels subject to early-stage low-temperature thermal oxidation 用于对早期低温热氧化低碳钢进行无损评估的磁化机制
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-09 DOI: 10.1016/j.jmmm.2024.172643
Anita Mongshi , Yves Armand Tene Deffo , Nicolas Mary , Pierre Tsafack , Jean-François Mogniotte , Benjamin Ducharne
In this work, an investigation is done to identify the magnetic non-destructive testing techniques and their related magnetization mechanisms and, eventually, the associated indicators that present the most distinguishable response to changes in steel properties due to the onset and evolution of starting corrosion by thermal oxidation at low temperatures. This is found by measuring magnetic responses of Magnetic Hysteresis Cycle (MHC), Magnetic Barkhausen Noise (MBN), and Magnetic Incremental Permeability (MIP) at the early stage of corrosion. Herein, the magnetization mechanism identified by the Domain Wall Bulging (DWB) effect and represented by the indicator Δ|Z|MIP from the MIP response is ranked the most sensitive indicator by Pearson’s linear correlation coefficient (LCC). It is immediately followed by the Domain Wall’s Irreversible Motions (DWIM) represented by the MBN coercivity indicator. Both mechanisms are associated with the structure and kinetic of the magnetic domains, respectively, under low and medium magnetic excitations. The low-temperature thermal oxidation process set out the constructive effect of the oxide layer in the strain relief effect on the overall magnetic response of the corroded specimen. Discussions and conclusions are provided, as well as perspectives regarding the applicability of magnetic non-destructive testing techniques.
这项研究旨在确定磁性无损检测技术及其相关的磁化机制,并最终确定相关指标,这些指标对低温热氧化引起的起始腐蚀的发生和演变所导致的钢材性能变化的反应最为明显。这是通过测量腐蚀早期阶段的磁滞周期(MHC)、磁性巴克豪森噪声(MBN)和磁增量渗透性(MIP)的磁响应发现的。在这里,根据皮尔逊线性相关系数(LCC),由磁畴壁隆起(DWB)效应确定的磁化机制(用 MIP 响应中的指标 Δ|Z|MIP 表示)被列为最敏感的指标。紧随其后的是以 MBN 矫顽力指标为代表的域壁不可逆运动(DWIM)。这两种机制分别与低磁激发和中磁激发下的磁畴结构和动力学有关。低温热氧化过程阐明了氧化层在应变释放效应中对腐蚀试样整体磁响应的建设性作用。本文提供了讨论和结论,以及磁性无损检测技术的应用前景。
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引用次数: 0
Control of spin wave demultiplexing using spin current 利用自旋电流控制自旋波解复用
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-09 DOI: 10.1016/j.jmmm.2024.172642
M.A. Morozova , N.D. Lobanov , O.V. Matveev , S.A. Nikitov
The paper reports on the principle of signals demultiplexing in the structure ferromagnetic film/normal metal/magnonic crystal. It is discovered that in such a structure there is a formation of four band gaps — spin wave forbidden bands. It is shown that depending on the frequency, the signal comes out through different ports of the structure (ferromagnetic film or magnonic crystal), i.e. there is frequency division of channels. The influence of spin current on the signal coupling at frequencies inside the band gap significantly prevails over the effect of spin current at frequencies outside the band gap. The spin current allows effective control of the main line insertion loss of a directional coupler based on such a structure. The spin current has little effect on coupling factor and isolation.
论文介绍了在铁磁薄膜/普通金属/磁晶体结构中信号解复用的原理。研究发现,在这种结构中形成了四个带隙--自旋波禁带。结果表明,根据频率的不同,信号通过结构(铁磁薄膜或磁子晶体)的不同端口输出,即存在信道的频率划分。自旋电流对带隙内频率信号耦合的影响明显大于自旋电流对带隙外频率的影响。自旋电流可以有效控制基于这种结构的定向耦合器的主线插入损耗。自旋电流对耦合系数和隔离度的影响很小。
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引用次数: 0
Electronic and magnetic properties of cobalt clusters on pristine and divacancy graphene 原始石墨烯和二价石墨烯上钴团簇的电子和磁性能
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-08 DOI: 10.1016/j.jmmm.2024.172633
X.-Y. Cui , Khanh Nam Vu , S.P. Ringer , Bernard Delley , C. Stampfl
Using ab initio calculations we investigate the adsorption of Co atoms, dimers and small cobalt clusters of 5 and 13 atoms on pristine graphene and graphene with a double vacancy. We report the atomic, electronic, magnetic and energetic properties of these systems. Stable adsorption configurations tend to maximise the number of cobalt-carbon bonds. On graphene, the adsorption energy of the clusters is only about 0.4 to 1 eV, and the clusters are relatively mobile on graphene. Interestingly, for different adsorbed Co13 isomers on graphene it is found that they converge to the same atomic structure. On graphene with a divacancy, the Co clusters bind in the divacancy site and isomerisation also occurs for the Co5 cluster system as well as for Co13. Co atoms and clusters can be effectively immobilised on the divacancy with corresponding adsorption energy being significantly enhanced by about 5 to 7 eV. All clusters act as electron donors in the interaction with the graphene/divacancy systems, and the amount of electron charge transfer increases with cluster size. Finite magnetic moments occur for all systems, where upon adsorption, the magnetic moment of the isolated Co atom (3μB) is significantly reduced due to electron transfer and bonding, resulting in values varying from 0.9-2.2 μB per Co atom. For the pristine graphene substrate, the total induced magnetic moments on the carbon atoms are negligible, while on the divacancy system, they are of the order of 0.1-0.3 μB. The attractive physical properties of these hybrid systems could find applications in catalysis and materials science.
我们利用 ab initio 计算研究了原始石墨烯和具有双空位的石墨烯上钴原子、二聚体以及 5 个和 13 个原子的小钴簇的吸附情况。我们报告了这些系统的原子、电子、磁性和能量特性。稳定的吸附构型倾向于使钴-碳键的数量最大化。在石墨烯上,团簇的吸附能仅约为 0.4 至 1 eV,而且团簇在石墨烯上具有相对的流动性。有趣的是,对于石墨烯上吸附的不同 Co13 异构体,我们发现它们趋同于相同的原子结构。在具有二价性的石墨烯上,Co 团簇结合在二价性位点上,Co5 团簇系统和 Co13 也会发生异构化。钴原子和簇可以有效地固定在二价位上,相应的吸附能显著提高了约 5 到 7 eV。所有团簇在与石墨烯/二价系统的相互作用中都充当电子供体,电子电荷转移量随团簇大小的增加而增加。所有体系的磁矩都是有限的,在吸附时,由于电子转移和键合,孤立的 Co 原子的磁矩(3μB)会显著降低,导致每个 Co 原子的磁矩值在≈0.9-2.2 μB 之间变化。对于原始石墨烯基底,碳原子上的总诱导磁矩可以忽略不计,而在二价体系上,它们的磁矩为 0.1-0.3 μB。这些杂化体系具有诱人的物理特性,可应用于催化和材料科学领域。
{"title":"Electronic and magnetic properties of cobalt clusters on pristine and divacancy graphene","authors":"X.-Y. Cui ,&nbsp;Khanh Nam Vu ,&nbsp;S.P. Ringer ,&nbsp;Bernard Delley ,&nbsp;C. Stampfl","doi":"10.1016/j.jmmm.2024.172633","DOIUrl":"10.1016/j.jmmm.2024.172633","url":null,"abstract":"<div><div>Using <em>ab initio</em> calculations we investigate the adsorption of Co atoms, dimers and small cobalt clusters of 5 and 13 atoms on pristine graphene and graphene with a double vacancy. We report the atomic, electronic, magnetic and energetic properties of these systems. Stable adsorption configurations tend to maximise the number of cobalt-carbon bonds. On graphene, the adsorption energy of the clusters is only about 0.4 to 1 eV, and the clusters are relatively mobile on graphene. Interestingly, for different adsorbed Co<sub>13</sub> isomers on graphene it is found that they converge to the same atomic structure. On graphene with a divacancy, the Co clusters bind in the divacancy site and isomerisation also occurs for the Co<span><math><msub><mrow></mrow><mrow><mn>5</mn></mrow></msub></math></span> cluster system as well as for Co<sub>13</sub>. Co atoms and clusters can be effectively immobilised on the divacancy with corresponding adsorption energy being significantly enhanced by about 5 to 7 eV. All clusters act as electron donors in the interaction with the graphene/divacancy systems, and the amount of electron charge transfer increases with cluster size. Finite magnetic moments occur for all systems, where upon adsorption, the magnetic moment of the isolated Co atom (3<span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span>) is significantly reduced due to electron transfer and bonding, resulting in values varying from <span><math><mo>≈</mo></math></span>0.9-2.2 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span> per Co atom. For the pristine graphene substrate, the total induced magnetic moments on the carbon atoms are negligible, while on the divacancy system, they are of the order of 0.1-0.3 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span>. The attractive physical properties of these hybrid systems could find applications in catalysis and materials science.</div></div>","PeriodicalId":366,"journal":{"name":"Journal of Magnetism and Magnetic Materials","volume":"612 ","pages":"Article 172633"},"PeriodicalIF":2.5,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142660791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Using NMR linewidth broadening for magnetic characterization of micrometer-size particles in silicone matrix 利用核磁共振线宽拓宽对硅基质中的微米级颗粒进行磁性表征
IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-11-08 DOI: 10.1016/j.jmmm.2024.172644
Yu Hao , Janusz H. Hankiewicz , Robert E. Camley , Stephen E. Russek , Zbigniew Celinski
Standard magnetization measurements on samples of small magnetic particles may generate conflicting results. We compare the mass magnetization of MgZn ferrite particles in a compressed bulk material and in dry powder and find that at low fields the values can differ by as much as 50%. We show here that embedding the particles in a silicone matrix and measuring the NMR linewidth in combination with simulations establishes a new method to evaluate the magnetization of the particles at different fields and temperatures. The NMR results agree with the direct magnetization measurements of the powder samples and the magnetization measurements of the particles embedded in silicone. This work is motivated, in part, by studies on using small magnetic particles as MRI temperature indicators, and we compare the effectiveness of these particles for low-field and high-field MRI thermometry.
对小磁性颗粒样本进行标准磁化测量可能会产生相互矛盾的结果。我们比较了压缩块状材料和干粉中 MgZn 铁氧体颗粒的质量磁化,发现在低磁场下,两者的磁化值相差可达 50%。我们在此表明,将颗粒嵌入硅胶基质中并结合模拟测量核磁共振线宽,可建立一种新方法来评估颗粒在不同磁场和温度下的磁化。核磁共振结果与粉末样品的直接磁化测量结果以及嵌入硅胶中的颗粒的磁化测量结果一致。这项工作的部分动机来自将小磁性颗粒用作磁共振成像温度指示器的研究,我们比较了这些颗粒在低磁场和高磁场磁共振成像温度测量中的有效性。
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Journal of Magnetism and Magnetic Materials
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