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Unravelling the strong interplay for interfacial magnetic switching in metal-organic-based spintronics

Journal of materials Chemistry C 2024年第11期12卷 3931-3942页

作者： Chen, Wan-Ting Yu, Li-Chung Lin, Jiu-Hua Cheng, Su Ling Shiu, Hung Wei Lai, Yu-Ling Chu, Ying-Hao Chin, Yi-Ying Wang, Jeng-Han Hsu, Yao-Jane National Synchrotron Radiation Research Center Hsinchu30076 Taiwan Graduate Program for Science and Technology of Accelerator Light Sources National Yang Ming Chiao Tung University Hsinchu30076 Taiwan Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Department of Chemistry National Taiwan Normal University Taipei11677 Taiwan Department of Photonics National Cheng Kung University Tainan70101 Taiwan Department of Physics National Chung Cheng University Chiayi62102 Taiwan

Organic semiconductors are promising building blocks for multifunctional spintronics. The spinterface plays a key role in affecting the magnetic properties of the performance of spin-based devices. Herein, we reveal the strong interfacial interplay affecting the magnetic switching at the interface of the synthetic paramagnetic tris(8-hydroxyquinoline)iron(iii) (Feq3) layer on the ferromagnetic surface. In combination with synchrotron-based analysis and density functional theory (DFT) calculations, we observed that the robust magnetic interactions of the Co/Feq3 system were strongly influenced by the interfacial reaction between Co and Feq3. As the charge transferred from the contacted Co to Feq3, the central iron was reduced from Fe(iii) to Fe(ii) and hybridized with the 8-hydroxyquinoline, causing spin polarization at the interface. The reduced central Fe(ii) exhibited apparent ferromagnetic ordering after contact with the ferromagnetic Co substrate. With increasing the Feq3 layer thickness, the central Fe reverted to its original Fe(iii) state, resulting in the disappearance of ferromagnetic ordering. The thickness dependence of the Feq3 layer on the magnetic response could be used to tune the spinterface properties and thus the interfacial magnetic interplay. These findings reveal the effect of the strong interfacial redox on the spinterface and open up a promising approach for the use of metal-organic materials in oragnic spintronic devices. © 2024 The Royal Society of Chemistry.

关键词： Organometallics

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Improving Joint Performance of Friction Stir Welded Az31/ Am60 Dissimilar Mg Alloys by Double-Sided Welding

SSRN

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SSRN 2023年

作者： Zhang, Junlei Zhang, Yingxing Peng, Junjie Li, Zulai Huang, Guangsheng Pan, Fusheng College of Materials Science and Engineering Kunming University of Science and Technology Kunming650093 China State Key Laboratory of Mechanical Transmission College of Materials Science and Engineering Chongqing University Chongqing400044 China National Engineering Research Center for Mg Alloys Chongqing University Chongqing400044 China

Two types of welding processes，with double-side friction stir welding (DS-FSW) and single-side friction stir welding (SS-FSW)，were used for dissimilar welding between AM60 and AZ31 Mg alloys in this study. The evolution of texture and microstructure, deformation behavior and mechanical properties of the two kinds of joints were investigated. The results demonstrated that both joints showed significant texture and microstructure evolution. The nugget zones (NZ) of the two joints had similar grain size, texture and texture distribution regularity. The AZ31 metal in NZ possessed finer grains than AM60 metal. The strong local textures were formed in the NZ of both joints under the action of rotational shear force and showed symmetrical distribution characteristics. In the DS-FSW joints, there were significant texture fluctuations at the NZ side junction interface between pass 1 and pass 2. This resulted in the microstructure morphology fluctuations at the interface after deformation. The deformation of the two joints presented a downward trend from the NZ side to NZ center under the influence of the special texture distribution during the tensile process. The DS-FSW joint showed excellent mechanical properties compared with the SS-FSW joint, which could be attributed to its lower volume proportion of the stirring zone and symmetrically distributed weld zone structure. © 2023, The Authors. All rights reserved.

关键词： Friction stir welding

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Effect of Cerium Addition on Microstructure and mechanical Properties of the Ductile Iron

SSRN

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SSRN 2024年

作者： Xie, Zhongyan Liu, Yubao Ren, Ying Zhang, Lifeng Beijing100083 China The School of Metallurgical and Ecological Engineering University of Science and Technology Beijing Beijing100083 China The School of Mechanical and Materials Engineering North China University of Technology Beijing100144 China

The effect of the cerium addition on the microstructure and properties of the ductile iron was investigated. The ferrocerium was added to obtain ductile iron samples with cerium contents of 10 ppm-750 ppm. In the ductile iron with the cerium content of 60 ppm, the amount and the spheroidization rate of graphites were the highest. The tensile strength of the ductile iron was 488 MPa and the elongation rate reached 20.17%. The formation of CeS inclusions effectively promoted the heterogeneous nucleation of graphites, increasing the amount of graphites. The stronger carbon diffusion during the eutectic process increased the ferrite formation in the ductile iron, leading to a lower tensile strength and a higher elongation rate. When the cerium content exceeded 460 ppm, the precipitated Ce2C3 which significantly reduced the performance of the ductile iron. © 2024, The Authors. All rights reserved.

关键词： Cerium

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First-principles Investigation of Thermodynamic Properties of CrNbO4 and CrTaO4

arXiv

引用

arXiv 2024年

作者： Lin, Shuang Shang, Shun-Li Beese, Allison M. Liu, Zi-Kui Department of Materials Science and Engineering The Pennsylvania State University University Park PA16802 United States Department of Mechanical Engineering The Pennsylvania State University University Park PA16802 United States

In the present study, the DFT+U method was employed to predict the thermodynamic properties of Cr2O3, Nb2O5, and Ta2O5. Results were benchmarked with experimental data showing high accuracy, except for the negative thermal expansion (NTE) of Nb2O5, which is attributed to its polymorphic complexity. Additionally, we extended our analysis to rutile-type oxides CrNbO4 and CrTaO4, examining their entropy and heat capacity at finite temperatures. CrNbO4 displayed slightly higher entropy and heat capacity at high temperatures. The mean linear thermal expansion coefficients for CrNbO4 and CrTaO4 from 500 K to 2000 K were predicted to be 6.00×10-6/K and 13.49×10-6/K, respectively, corroborating with DFT predictions and experimental evidence. Our research highlights the precision of the DFT+U and phonon methods in predicting the thermodynamic properties of oxide materials, offering insights into the design of corrosion-resistant materials. © 2024, CC BY-NC-ND.

关键词： Chromium compounds

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Toward Sustainable Polymer Design: A Molecular Dynamics-Informed Machine Learning Approach for Vitrimers

arXiv

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arXiv 2025年

作者： Zheng, Yiwen Biswal, Agni K. Guo, Yaqi Thakolkaran, Prakash Kokane, Yash Varshney, Vikas Kumar, Siddhant Vashisth, Aniruddh Department of Mechanical Engineering University of Washington SeattleWA United States Department of Materials Science and Engineering Delft University of Technology Delft Netherlands Materials and Manufacturing Directorate Air Force Research Laboratory Wright-Patterson Air Force Base OH United States

Vitrimer is an emerging class of sustainable polymers with self-healing capabilities enabled by dynamic covalent adaptive networks. However, their limited molecular diversity constrains their property space and potential applications. Recent development in machine learning (ML) techniques accelerates polymer design by predicting properties and virtually screening candidates, yet the scarcity of available experimental vitrimer data poses challenges in training ML models. To address this, we leverage molecular dynamics (MD) data generated by our previous work to train and benchmark seven ML models covering six feature representations for glass transition temperature (Tg) prediction. By averaging predicted Tg from different models, the model ensemble approach outperforms individual models, allowing for accurate and efficient property prediction on unlabeled datasets. Two novel vitrimers are identified and synthesized, exhibiting experimentally validated higher Tg than existing bifunctional transesterification vitrimers, along with demonstrated healability. This work explores the possibility of using MD data to train ML models in the absence of sufficient experimental data, enabling the discovery of novel, synthesizable polymer chemistries with superior properties. The integrated MD-ML approach offers polymer chemists an efficient tool for designing polymers tailored to diverse applications. Copyright © 2025, The Authors. All rights reserved.

关键词： Learning systems

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Binder Jet 3d Printing of Mn-Zn Ferrite Soft Magnet Toroidal Cores

SSRN

引用

SSRN 2023年

作者： Zheng, Chuyuan Bhandari, Bishal Mullurkara, Suraj Venkateshwaran Mandal, Dipika Bracken, Chris Pierce, Alex Ohodnicki, Paul Department of Mechanical Engineering and Materials Science Swanson School of Engineering University of Pittsburgh PittsburghPA15261 United States Argonne National Laboratory United States

Mn-Zn ferrites are candidate soft magnetic materials for next-generation power devices due to high magnetic permeabilities, low coercivities, and high resistivity enabling up to MHz operating frequencies with low losses. Traditional powder processing methods for Mn-Zn ferrites limits design freedom and scalability of producing customized soft magnetic cores. In addition, the ability to develop complex engineered microstructures with optimized properties is limited by conventional compaction and sintering methods used in commercial practice. In this work, binder jet 3D printing techniques were applied to commercially available Mn-Zn ferrite powders and toroidal cores were successfully fabricated. Microstructural characterization revealed high porosity remained for binder jetted materials and various magnetic property measurements were performed on sintered cores. Effective medium theory model was demonstrated to underestimate the effect of remnant porosity on measured magnetic permeabilities. Importance of novel concepts to successfully realize dense cores through additive manufacturing pathways such as binder jetting is highlighted. © 2023, The Authors. All rights reserved.

关键词： Sintering

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Max-Plus Synchronization in Decentralized Trading Systems

Max-Plus Synchronization in Decentralized Trading Systems

引用

IEEE Conference on Decision and Control

作者： Hans Riess Michael Munger Michael M. Zavlanos Department of Electrical and Computer Engineering Duke University Department of Political Science Duke University Department of Economics Duke University Dept. of Mechanical Engineering & Materials Science Duke University

We introduce a decentralized mechanism for pricing and exchanging alternatives constrained by transaction costs. We characterize the time-invariant solutions of a heat equation involving a (weighted) Tarski Laplacian operator, defined for max-plus matrix-weighted graphs, as approximate equilibria of the trading system. We study algebraic properties of the solution sets as well as convergence behavior of the dynamical system. We apply these tools to the “economic problem” of allocating scarce resources among competing uses. Our theory suggests differences in competitive equilibrium, bargaining, or cost-benefit analysis, depending on the context, are largely due to differences in the way that transaction costs are incorporated into the decision-making process. We present numerical simulations of the synchronization algorithm (RRAggU), demonstrating our theoretical findings.

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High entropy rare earth hexaborides/tetraborides(HE REB_(6)/HE REB_(4)) composite powders with enhanced electromagnetic wave absorption performance

引用

Journal of materials science & Technology 2021年第28期87卷 155-166页

作者： Weiming Zhang Biao Zhao Na Ni Huimin Xiang Fu-Zhi Dai Shijiang Wu Yanchun Zhou Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing100076China Henan Key Laboratory of Aeronautical Materials and Application Technology School of Material Science and EngineeringZhengzhou University of AeronauticsZhengzhou450046China Key Lab of Education Ministry for Power Machinery and Engineering School of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai200240China Zibo Firststar New Material Incorporated Co.Ltd. Zibo255000China

The increasing electromagnetic hazards including electromagnetic interference and electromagnetic pollution,which were stemmed from massive usage of electromagnetic technology,have triggered widespread *** cope with this challenge,electromagnetic wave absorbing materials with high performance are greatly *** construction has been widely applied in electromagnetic(EM)wave absorbing materials to achieve high permittivity,high permeability and impedance ***,high-temperature stability,oxidation and corrosion resistance are still unignorable ***,high entropy hexaborides/tetraborides(HE REB_(6)/HE REB_(4))composites with synergistic dielectric and magnetic losses were designed and successfully synthesized through a one-step boron carbide reduction *** five as-prepared(Y_(0.2) Nd_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2))B_(6)/(Y_(0.2) Nd_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2))B_(4),(Y_(0.2) Nd_(0.2) Sm_(0.2) Er_(0.2) Yb_(0.2))B_(6)/(Y_(0.2) Nd_(0.2) Sm_(0.2) Er_(0.2) Yb_(0.2))B_(4),(Y_(0.2) Nd_(0.2) Eu_(0.2) Er_(0.2) Yb_(0.2))B_(6)/(Y_(0.2) Nd_(0.2) Eu_(0.2) Er_(0.2) Yb_(0.2))B_(4),(Nd_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2) Yb_(0.2))B_(6)/(Nd_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2) Yb_(0.2))B_(4) and(Y_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2) Yb_(0.2))B_(6)/(Y_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2) Yb_(0.2))B_(4) contain two phases of HE REB_(6) and HE REB_(4).Among them(Y_(0.2) Nd_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2))B_(6)/(Y_(0.2) Nd_(0.2) Sm_(0.2) Eu_(0.2) Er_(0.2))B_(4)(HE REB_(6)/HE REB_(4)-1)and(Y_(0.2) Nd_(0.2) Sm_(0.2) Er_(0.2) Yb_(0.2))B_(6)/(Y_(0.2) Nd_(0.2) Sm_(0.2) Er_(0.2) Yb_(0.2))B_(4)(HE REB_(6)/HE REB_(4)-2)exhibit excellent EM wave absorption *** optimal minimum reflection loss(RL_(m in))and effective absorption bandwidth(E_(AB))of HE REB_(6)/HE REB_(4)-1 and HE REB_(6)/HE REB_(4)-2 are–53.3 dB(at 1.7 mm),4.2 GHz(at 1.5 mm)and–43.5 dB(1.3 mm),4.2 GHz(1.5 mm),*** combination of conducting HE REB_(4) with magnetism into HE REB_

关键词： High entropy ceramics Hexaborides/tetraborides composites One-step synthesis Electromagnetic wave absorption Synergistic dielectric and magnetic losses

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Tailoring the Bimodal Microstructure of Si3n4 Ceramics with High Thermal Conductivity and mechanical Properties

SSRN

引用

SSRN 2024年

作者： Liu, Yun Liu, Ruixiang Zheng, Yuanhang Zhao, Jixue Sui, Tianyi Li, Xiaolei Lin, Bin Key Laboratory for Advanced Ceramics and Machining Technology of Ministry of Education School of Materials Science and Engineering Tianjin University Tianjin300072 China School of Mechanical Engineering Tianjin University Tianjin300072 China

Producing silicon nitride (Si3N4) ceramics with high thermal conductivity and excellent mechanical properties has always been difficult, limiting their application in high-power devices. In this work, Si3N4 ceramics with excellent performance were successfully fabricated by developing a two-step sintering process to tailor the bimodal microstructure. The bimodal microstructure evolution mechanism of Si3N4 ceramics prepared by two-step sintering was clarified. The bimodal microstructure fine control was achieved by adjusting the β-Si3N4 grain amount in the pre-sintered sample. The influence of different bimodal microstructures on thermal conductivity and mechanical properties was explained. After pre-sintering at 1390 °C for 2 h and second-step sintering at 1900 °C for 12 h, the Si3N4 ceramics thermal conductivity, bending strength and fracture toughness were 104.6±0.36 W·m-1·K-1, 725±14.5 MPa and 9.9±0.65 MPa·m1/2, respectively. This work demonstrated that tailoring the bimodal microstructure can produce Si3N4 ceramics with excellent thermal and mechanical properties. © 2024, The Authors. All rights reserved.

关键词： Silicon nitride

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Investigation of ideal shear strength of dilute binary and ternary Ni-based alloys using first-principles calculations, CALPHAD modeling and correlation analysis

arXiv

引用

arXiv 2024年

作者： Lin, Shuang Shang, Shun-Li Shimanek, John D. Wang, Yi Beese, Allison M. Liu, Zi-Kui Department of Materials Science and Engineering The Pennsylvania State University University ParkPA16802 United States Department of Mechanical Engineering The Pennsylvania State University University ParkPA16802 United States

In the present work, the ideal shear strength (τis) of dilute Ni34XZ ternary alloys (X or Z = Al, Co, Cr, Fe, Mn, Mo, Nb, Si, Ti) are predicted by first-principles calculations based on density functional theory (DFT) in terms of pure alias shear deformations. The τis results show that within the concentration up to 8.3% of alloying elements, τis increases with composition in binary systems with Mn, Fe, and Co in ascending order, and decreases with composition with Nb, Si, Mo, Ti, Al, and Cr in descending order. The composition dependence of τis in binary and ternary systems is modeled using the CALculation of PHAse Diagrams (CALPHAD) approach considering lattice instability, indicating that atomic bonding strength significantly influences τis. Correlational analyses further show that lattice constant and elastic constant C11 affect τis, the most out of the elemental features. © 2024, CC BY-NC-ND.

关键词： Shear strength

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