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First-principles calculations on dislocations in MgO. 氧化镁中位错的第一性原理计算。
IF 7.4 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-19 eCollection Date: 2024-01-01 DOI: 10.1080/14686996.2024.2393567
Shin Kiyohara, Tomohito Tsuru, Yu Kumagai

While ceramic materials are widely used in our society, their understanding of the plasticity is not fully understood. MgO is one of the prototypical ceramics, extensively investigated experimentally and theoretically. However, there is still controversy over whether edge or screw dislocations glide more easily. In this study, we directly model the atomic structures of the dislocation cores in MgO based on the first-principles calculations and estimate the Peierls stresses. Our results reveal that the screw dislocation on the primary slip system exhibits a smaller Peierls stress than the edge dislocation. The tendency is not consistent with metals, but rather with TiN, suggesting a characteristic inherent to rock-salt type materials.

虽然陶瓷材料在我们的社会中被广泛使用,但人们对其塑性的理解却并不全面。氧化镁是典型的陶瓷材料之一,在实验和理论上都得到了广泛的研究。然而,关于边缘位错更容易滑行还是螺钉位错更容易滑行仍存在争议。在本研究中,我们根据第一性原理计算直接模拟了氧化镁中位错核心的原子结构,并估算了 Peierls 应力。结果表明,主滑移系统上的螺旋位错比边缘位错表现出更小的 Peierls 应力。这种趋势与金属不一致,而与钛镍合金一致,表明这是岩盐型材料的固有特征。
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引用次数: 0
From cane to nano: advanced nanomaterials derived from sugarcane products with insights into their synthesis and applications. 从甘蔗到纳米:从甘蔗产品中提取的先进纳米材料及其合成和应用见解。
IF 7.4 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-19 eCollection Date: 2024-01-01 DOI: 10.1080/14686996.2024.2393568
Bhavya Mod, Arun V Baskar, Rohan Bahadur, Ehsan Tavakkoli, Lukas Van Zwieten, Gurwinder Singh, Ajayan Vinu

Sugarcane-based products are inherently rich in elements such as silicon, carbon and nitrogen. As such, these become ideal precursors for utilization in a wide array of application fields. One of the appealing areas is to transform them into nanomaterials of high interest that can be employed in several prominent applications. Among nanomaterials, sugarcane products based on silica nanoparticles (SNPs), carbon dots (CDs), metal/metal oxide-based NPs, nanocellulose, cellulose nanofibers (CNFs), and nano biochar are becoming increasingly reported. Through manipulation of the experimental conditions and choosing suitable starting precursors and elements, it is possible to devise these nanomaterials with highly desired properties suited for specific applications. The current review presents the findings from the recent literature wherein an effort has been made to convey new development in the field of sugarcane-based products for the synthesis of the above-mentioned nanomaterials. Various nanomaterials were systematically discussed in terms of their synthesis and application perspectives. Wherever possible, a comparative analysis was carried out to highlight the potential of sugarcane products for the intended purpose as compared to other biomass-based materials. This review is expected to stand out in delivering an up-to-date survey of the literature and provide readers with necessary directions for future research.

以甘蔗为原料的产品本身富含硅、碳和氮等元素。因此,这些产品成为广泛应用于各个领域的理想前体。其中一个具有吸引力的领域是将其转化为可用于多个重要应用领域的纳米材料。在纳米材料中,基于二氧化硅纳米颗粒(SNPs)、碳点(CDs)、金属/金属氧化物基 NPs、纳米纤维素、纤维素纳米纤维(CNFs)和纳米生物炭的甘蔗产品的报道越来越多。通过控制实验条件和选择合适的起始前体和元素,可以设计出具有非常理想特性的纳米材料,以满足特定应用的需要。本综述介绍了近期文献中的研究成果,努力传达甘蔗基产品合成上述纳米材料领域的新进展。从合成和应用角度系统地讨论了各种纳米材料。在可能的情况下,还进行了比较分析,以突出甘蔗产品与其他生物质材料相比在实现预期目的方面的潜力。这篇综述有望成为最新的文献综述,并为读者提供必要的未来研究方向。
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引用次数: 0
Improvement in CPP-GMR read head sensor performance using [001]-oriented polycrystalline half-metallic Heusler alloy Co2FeGa0.5Ge0.5 and CoFe bilayer electrode. 使用[001]取向多晶半金属 Heusler 合金 Co2FeGa0.5Ge0.5 和 CoFe 双层电极提高 CPP-GMR 读头传感器的性能。
IF 7.4 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-14 eCollection Date: 2024-01-01 DOI: 10.1080/14686996.2024.2388503
Dolly Taparia, Taisuke Sasaki, Tomoya Nakatani, Hirofumi Suto, Yoshio Miura, Zehao Li, Varun Kumar Kushwaha, Kazuumi Inubushi, Shinto Ichikawa, Katsuyuki Nakada, Tomoyuki Sasaki, Seiji Mitani, Yuya Sakuraba

A current-perpendicular-to-plane giant magnetoresistive (CPP-GMR) device with a half-metallic electrode is one of the most promising candidates of next-generation read head for hard disk drive. In this study, we fabricate [001]-oriented polycrystalline CPP-GMR devices with the normal ferromagnet (NFM) CoFe/half-metallic ferromagnet (HMFM) Co2FeGa0.5Ge0.5 (CFGG) bilayer electrodes to enhance the magnetoresistance (MR) ratio by large interfacial spin-dependent scattering at the NFM/HMFM interface. The CoFe/CFGG bilayer electrode provides the additional large interfacial spin-dependent scattering and achieves high MR ratio of 22.7% with the CoFe(4.5 nm)/CFGG(2.5 nm) bilayer electrodes, which is almost three(two) times larger than the MR ratio with the single CoFe(CFGG) (7 nm) electrodes. The bias voltage dependent study revealed an additional advantage of increasing the output voltage |ΔV| by using the CoFe/CFGG bilayer due to the improvement of the endurance against spin-transfer torque under high bias current. A maximum output voltage Δ V max of 6.5 mV was obtained with the CoFe(5.5 nm)/CFGG(1.5 nm) electrodes, which is the highest ever reported in the CPP-GMR devices with a uniform metallic spacer including high-quality epitaxial devices.

带有半金属电极的电流垂直面巨磁阻(CPP-GMR)器件是下一代硬盘驱动器读取头最有前途的候选器件之一。在这项研究中,我们用普通铁磁体(NFM)CoFe/半金属铁磁体(HMFM)Co2FeGa0.5Ge0.5(CFGG)双层电极制造了[001]取向多晶 CPP-GMR 器件,通过在 NFM/HMFM 界面产生大的界面自旋散射来提高磁阻(MR)比。CoFe/CFGG 双层电极提供了额外的大界面自旋散射,CoFe(4.5 nm)/CFGG(2.5 nm)双层电极的磁阻比高达 22.7%,几乎是单 CoFe(CFGG)(7 nm)电极磁阻比的三倍(两倍)。与偏置电压相关的研究表明,使用 CoFe/CFGG 双电层还具有提高输出电压 |ΔV| 的额外优势,这是因为在高偏置电流下,自旋转移扭矩的耐受性得到了改善。CoFe(5.5 nm)/CFGG(1.5 nm)电极获得了 6.5 mV 的最大输出电压 Δ V max,这是迄今为止在具有均匀金属间隔(包括高质量外延器件)的 CPP-GMR 器件中所报道的最高输出电压。
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引用次数: 0
Developing poly(ethylene glycol)-b-poly(β-hydroxybutyrate)-based self-assembling prodrug for the management of cisplatin-induced acute kidney injury. 开发基于聚(乙二醇)-b-聚(β-羟基丁酸)的自组装原药,用于治疗顺铂引起的急性肾损伤。
IF 7.4 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-13 eCollection Date: 2024-01-01 DOI: 10.1080/14686996.2024.2382084
Duc Tri Bui, Yukio Nagasaki

Although β-hydroxybutyrate (BHB), one of the endogenous body ketones, possesses high bioactivities, it is rapidly consumed, metabolized, and eliminated from the body. In this study, we designed new self-assembling nanoparticles that sustainably released BHB to improve bioavailability and evaluated their efficacy in in vivo experiments using rodent animal models. Since poly(β-hydroxybutyrate) [poly(BHB)] is regarded as a polymeric prodrug that is hydrolyzed by endogenous enzymes and releases BHB in a sustained manner, our idea was to engineer hydrophobic poly(BHB) in one of the segments in the amphiphilic block copolymer, of which self-assembles in water to form nanoparticles of tens of nanometers in size (abbreviated as NanoBHB). Here, methoxy-poly(ethylene glycol) was employed as the hydrophilic segment of the block copolymer to stabilize the nanoparticles in aqueous environments, thus enabling NanoBHBs to be administrable both orally and through injection. Experimental results showed that NanoBHB has low toxicity and releases free BHB for an extended period in vitro and in vivo. Moreover, NanoBHB exhibits superior nephroprotective effects in cisplatin-induced acute kidney injury mouse models compared to low-molecular-weight (LMW) sodium BHB, suggesting the potential of NanoBHB as a sustainable release formulation to supply BHB for medicinal applications.

β-羟丁酸(BHB)是人体内源性酮体之一,具有很高的生物活性,但它会被迅速消耗、代谢并排出体外。在这项研究中,我们设计了可持续释放 BHB 的新型自组装纳米粒子,以提高生物利用度,并利用啮齿动物模型在体内实验中评估了其功效。由于聚(β-羟基丁酸)[poly(BHB)]被认为是一种可被内源性酶水解并持续释放 BHB 的聚合物原药,我们的想法是在两亲性嵌段共聚物的一个段中设计疏水性聚(BHB),其在水中自组装形成数十纳米大小的纳米颗粒(简称 NanoBHB)。这里采用甲氧基聚(乙二醇)作为嵌段共聚物的亲水段,以稳定纳米粒子在水环境中的状态,从而使 NanoBHB 既可以口服,也可以注射。实验结果表明,纳米羟丁酸毒性低,可在体外和体内长期释放游离羟丁酸。此外,与低分子量(LMW)BHB 钠相比,纳米 BHB 在顺铂诱导的急性肾损伤小鼠模型中表现出更优越的肾保护作用,这表明纳米 BHB 有潜力成为一种可持续释放的制剂,为医疗应用提供 BHB。
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引用次数: 0
Magnetic-anisotropy modulation in multiferroic heterostructures by ferroelectric domains from first principles. 从第一原理看铁电畴对多铁素体异质结构的磁各向异性调制。
IF 7.4 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-12 eCollection Date: 2024-01-01 DOI: 10.1080/14686996.2024.2391268
Amran Mahfudh Yatmeidhy, Yoshihiro Gohda

First-principles calculations incorporating spin-orbit coupling are presented for a multiferroic material as a ferromagnetic/ferroelectric junction. We simulate the interface effect that cannot be described by the single-phase bulk. The in-plane uniaxial magnetic-anisotropy of Co2FeSi is observed when the ferroelectric domain is polarized parallel to the interface, whereas the magnetic anisotropy is significantly different in the plane for the electrical polarization perpendicular to the interface. While the single-phase effect dominates the main part of the modulation of the magnetic anisotropy, symmetry breaking due to the interfacial effect is observed in the ferromagnetic ultrathin films. The origin of the modulated magnetic-anisotropy can be attributed to the shifting of specific energy bands in Co2FeSi when the ferroelectric domain is modified.

本文针对铁磁/铁电交界处的多铁性材料进行了包含自旋轨道耦合的第一性原理计算。我们模拟了单相块体无法描述的界面效应。当铁电体畴平行于界面极化时,可观察到 Co2FeSi 的平面内单轴磁各向异性,而当电极化垂直于界面时,平面内的磁各向异性则明显不同。虽然单相效应主导了磁各向异性调制的主要部分,但在铁磁超薄薄膜中观察到了界面效应导致的对称性破坏。磁各向异性调制的起源可归因于 Co2FeSi 中铁电畴改变时特定能带的移动。
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引用次数: 0
Highly flexible and transparent colorless polyimide substrate sandwiched between plasma polymerized fluorocarbon and InGaTiO for high performance flexible perovskite solar cells 夹在等离子聚合碳氟化合物和 InGaTiO 之间的高柔性、透明无色聚酰亚胺衬底,用于制造高性能柔性过氧化物太阳能电池
IF 5.5 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-06 DOI: 10.1080/14686996.2024.2373041
Su-Kyung Kim, Eun-Mi Cho, Hae-Jun Seok, Young-Yun Kim, Dong-Hyeok Choi, Sang-Jin Lee, Nam Joong Jeon, Han-Ki Kim
We integrated transparent antireflective coatings and transparent electrodes onto flexible colorless polyimide (CPI) substrates to fabricate high-performance flexible perovskite solar cells. Multif...
我们在柔性无色聚酰亚胺(CPI)基板上集成了透明抗反射涂层和透明电极,以制造高性能柔性过氧化物太阳能电池。多...
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引用次数: 0
Comparative study of the experimentally observed and GAN-generated 3D microstructures in dual-phase steels 双相钢中实验观察到的三维微观结构与 GAN 生成的三维微观结构的比较研究
IF 5.5 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-05 DOI: 10.1080/14686996.2024.2388501
Ikumu Watanabe, Keiya Sugiura, Ta-Te Chen, Toshio Ogawa, Yoshitaka Adachi
In a deep-learning-based algorithm, generative adversarial networks can generate images similar to an input. Using this algorithm, an artificial three-dimensional (3D) microstructure can be reprodu...
在一种基于深度学习的算法中,生成式对抗网络可以生成与输入相似的图像。利用这种算法,可以重现人工三维(3D)微观结构。
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引用次数: 0
Insights into the molecular response of Dioithona rigida to selenium nanoparticles: De novo transcriptome assembly and differential gene expression analysis Dioithona rigida 对纳米硒颗粒分子反应的见解:全新转录组组装和差异基因表达分析
IF 5.5 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-05 DOI: 10.1080/14686996.2024.2379758
Vineeth Kumar Chirayil Meethalepurayil, Karthick Velu, Inbakandan Dhinakarasamy, Lok Kumar Shrestha, Katsuhiko Ariga, Eldon Raj Rene, Ganesh Kumar Vijayakumar, Ravi Mani, Aravind Radhakrishnapillai, Stalin Dhas Tharmathass, Sowmiya Prasad
The impact of contaminants on Copepod sp. and its molecular response is least explored, despite their abundance and dominance among invertebrates in aquatic environments. In the present investigati...
尽管桡足类在水生环境中数量众多且在无脊椎动物中占主导地位,但污染物对其影响及其分子反应的研究却最少。在本研究中...
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引用次数: 0
Machine learning prediction of the mechanical properties of injection-molded polypropylene through X-ray diffraction analysis 通过 X 射线衍射分析对注塑聚丙烯机械性能进行机器学习预测
IF 5.5 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-05 DOI: 10.1080/14686996.2024.2388016
Ryo Tamura, Kenji Nagata, Keitaro Sodeyama, Kensaku Nakamura, Toshiki Tokuhira, Satoshi Shibata, Kazuki Hammura, Hiroki Sugisawa, Masaya Kawamura, Teruki Tsurimoto, Masanobu Naito, Masahiko Demura, Takashi Nakanishi
Predicting the mechanical properties of polymer materials using machine learning is essential for the design of next-generation of polymers. However, the strong relationship between the higher-orde...
利用机器学习预测聚合物材料的机械性能对于设计下一代聚合物至关重要。然而,高分子材料的高阶机械性能和低阶机械性能之间的密切关系,对高分子材料的机械性能预测至关重要。
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引用次数: 0
Engineering the electronic properties of MoTe2 via defect control 通过缺陷控制工程实现 MoTe2 的电子特性
IF 5.5 3区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2024-08-05 DOI: 10.1080/14686996.2024.2388502
Celal Yelgel, Övgü C. Yelgel
The remarkable electronic properties of monolayer MoTe2 make it a very adaptable material for use in optoelectronic and nano electronic applications. MoTe2 growth often exhibits intrinsic defects, ...
单层碲化镉(MoTe2)具有非凡的电子特性,是一种非常适合用于光电和纳米电子应用的材料。MoTe2 在生长过程中通常会出现固有缺陷,这些缺陷可能会影响其电子性能。
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引用次数: 0
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Science and Technology of Advanced Materials
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