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High-throughput design of perpendicular magnetic anisotropy at quaternary Heusler and MgO interfaces

npj Computational materials 2023年第1期9卷 1084-1091页

作者： Sicong Jiang Kesong Yang Department of Nano and Chemical Engineering University of California San DiegoLa JollaCA 92093-0448USA Program of Materials Science and Engineering University of California San DiegoLa JollaCA 92093-0418USA Center for Memory and Recording Research University of California San DiegoLa JollaCA 92093-0401USA

Heusler alloys combined with MgO interfaces exhibit interfacial perpendicular magnetic anisotropy, making them attractive forenergy-efficient spintronic technologies. However, finding suitable Heusler/MgO heterostructures with desired properties ischallenging due to the vast range of compositions available and the complexity of interfacial structures, particularly for theemerging quaternary Heusler compounds. In this study, we report a high-throughput screening of quaternary-Heusler/MgOheterostructures for spintronic applications. By analyzing various materials descriptors, including formation energy, convex hulldistance, magnetic ordering, lattice misfit, magnetic anisotropy constant, tunnel magnetoresistance, Curie temperature, and atomicsite disordering, we identified 5 promising compounds out of 27,000 quaternary Heusler compounds. These compounds, namelyIrCrAlTi, IrCrGaTi, IrMnZnTi, OsCrAlTa, and TaGaOsCr, show potential for designing energy-efficient perpendicular magnetic tunneljunctions. This work demonstrates an efficient approach using open quantum materials repositories, effective materials descriptors,and high-throughput computational techniques to accelerate the discovery of quaternary-Heusler-based functional materials.

关键词： quaternary anisotropy magnetic

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mechanically Stable and Damage Resistant Freestanding Ultrathin Silver Nanowire Films with Closely Packed Crossed-Lamellar Structure

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Precision Chemistry 2024年第12期2卷 634-643页

作者： Si-Chao Zhang Huai-Ling Ga Long Zhang Yin-Bo Zhu Ya-Dong Wu Jian-Wei Liu Li-Bo Mao Mei Feng Liang Dong Zhao Pan Xiang-Sen Meng Yang Lu Shu-Hong Yu Department of Chemistry New Cornerstone Science LaboratoryInstitute of Biomimetic Materials&ChemistryAnhui Engineering Laboratory of Biomimetic MaterialsDivision of Nanomaterials&ChemistryHefei National Research Center for Physical Sciences at the MicroscaleUniversity of Science and Technology of ChinaHefei 230026China CAS Key Laboratory of Mechanical Behavior and Design of Materials Department of Modern MechanicsCAS Center for Excellence in Complex System MechanicsUniversity of Science and Technology of ChinaHefei 230027China Anhui Key Laboratory of Controllable Chemical Reaction and Material Chemical Engineering School of Chemistry and Chemical EngineeringHefei University of TechnologyHefeiAnhui 230009P.R.China Institute of Innovative Materials(I2M) Department of ChemistryDepartment of Materials Science and EngineeringSouthern University of Science and TechnologyShenzhen 518055China

One-dimensional(1D)functional nanowires are widely used as nanoscale building blocks for assembling advanced nanodevices due to their unique ***,previous research has mainly focused on nanowire functionality,while neglecting the structural stability and damage resistance of nanowire assemblies,which are critical for the long-term operation of *** achieve excellent mechanical stability and damage resistance through sophisticated structural ***,we successfully prepared a mechanically stabilized monolamella silver nanowire(Ag NW)film,based on a facile bubblemediated assembly and nondestructive transfer strategy with the assistance of a porous mixed cellulose ester substrate,inspired by the hierarchical structure of *** to the closely packed arrangement of Ag NWs combined with their weak interfaces,the monolamellar Ag NW film can be transferred to arbitrary substrates without ***,freestanding multilamellar Ag NW films with impressive damage resistance can be obtained from the monolamellar Ag NW film,through the introduction of bioinspired closely packed crossed-lamellar(CPCL)*** CPCL structure maximizes intra-and interlamellar interactions among Ag NWs ensuring efficient stress transfer and uniform electron transport,resulting in excellent mechanical durability and stable electrical properties of the multilamellar Ag NW films.

关键词： Biomimetics hierarchical structure structural stability damage resistance functional nanowire assemblies

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Bigger isn't Better: Fundamental Differences in Flow Regime Development from Rotating Pipe

Bigger isn't Better: Fundamental Differences in Flow Regime ...

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2025 SPE/IADC International Drilling Conference and Exhibition, DC 2025

作者： Rathgber, D.C. Johnson, E.L. Anderson, R. Lucon, P. Todd, B.J. Downey, J. Richards, L. Petroleum Engineering Department Montana Technological University ButteMT United States Mechanical & Industrial Engineering Department Montana State University BozemanMT United States Chemical & Biological Engineering Department Montana State University BozemanMT United States Mechanical Engineering Department Montana Technological University ButteMT United States Metallurigcal & Materials Science Department Montana Technological University ButteMT United States Exxonmobil BelgradeMT United States

ISBN: (纸本)9781959025641

Operators often look to use drill pipe rotation to increase hole cleaning effectiveness in horizontal and high-angle sections of wellbores. However, the effect of drill pipe rotation on cuttings transport is dependent on a range of factors, from fluid rheology and density, rotation rate, hole diameter, and pipe diameter. To identify cause and effect of these parameters, several multiphase flow simulations were performed to identify possible changes in flow regimes that would affect cuttings transport efficiency. Computational Fluid Dynamics (CFD) software was utilized to develop and simulate a range of single - phase and multiphase flow models replicating a range of typical high-angle tangent and production sections. Wellbore diameters ranged from 8 ½" to 12 =", and drill pipe diameters ranged from 4 ½" to 6 5/8", with rotation rates ranging from 0 to 150 RPM at 30 RPM increments. In order to observe the effect of fluid rheology, 2 field-sampled muds were modeled - a low density water-based mud and a medium density oil-based mud. Cross-sectional data including velocity, effective viscosity, and turbulent kinetic energy, were analyzed from single-phase models for changes in flow patterns, and models that showed significant differences at adjacent RPM increments were selected for multiphase model runs to determine if changes had an observable effect on cuttings movement. Data from simulation results indicate linear increases in velocity in connection to pipe rotation rates. However, marginal differences between different hole or pipe diameter sizes were recorded. Distinct differences between effective viscosity profiles were observed when comparing larger diameter wellbores with smaller wellbores, with sudden increases in bulk viscosity at high RPM in 12 =" hole. At high RPM (120+), large wellbores show a sudden decrease in both Reynolds and Taylor numbers, indication a sudden change in flow regime cause by high rotation rates. This trend differs from smaller wellbore

关键词： Drill pipe

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Machine learning based Melt Pool Spattering registration and defectcorrelation for LPBF additive manufacturing

Machine learning based Melt Pool Spattering registration and...

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2022 ASPE and euspen Summer Topical Meeting on Advancing Precision in Additive Manufacturing

作者： Zhang, Haolin Vallabh, Chaitanya Krishna Prasad Zhao, Xiayun Department of Mechanical Engineering and Materials Science University of Pittsburgh PittsburghPA United States

ISBN: (纸本)9781713859192

Laser powder bed fusion (LPBF) additive manufacturing (AM) process has attracted increasing research and application interest in recent years, due to its potential ability to efficiently produce parts with complicated geometry. Despite the rapid development, LPBF manufactured products still lack the quality required for practical implementation in most industries. In LPBF printing processes, some major defects can be attributed to the melt pool (MP) induced spatters which would cause porosity, powder contamination, and recoater intervention. In this work, we develop a machine learning (ML) based method for automatically and accurately registering MP spattering metrics using in-situ off-axis camera monitoring data. Specifically, each monitored MP image is analyzed for extracting its associated spattering signatures including the MP's center location (coordinates), spatter count, and ejection angle relative to its MP center. Such MP spattering signatures are registered for each monitored MP across each print layer. To evaluate the potential influence of MP spattering on surface defects, a preliminary correlation of each print layer's registered MP spattering signatures to the layer's surface topography measured by a lab-designed in-situ Fringe Projection Profilometry (FPP) system is performed via ML. Overall, this work presents a systematic study on MP spattering monitoring, registration, and correlation to reveal effect on defect formation during LPBF, allowing for online qualification of LPBF-AM processes. Copyright© (2022) by American Society for Precision engineering (ASPE) All rights reserved.

关键词： Topography

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Reusable Hydrogen Storage Tank with Flange Design 10

Reusable Hydrogen Storage Tank with Flange Design

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10th International Conference on Applied System Innovation, ICASI 2024

作者： Li, Yun-Qi Chen, Hsuan-Jung Yang, Hsi-Wen Chen, Chih-Yuan Chang, Shao-Fu Chen, Ssu-Ying Chen, Chien-Chon College of Engineering and Science Ph.D. Program in Materials and Chemical Engineering National United University Miaoli Taiwan Michigan State University Department of Chemistry MI48824 United States National United University Department of Materials Engineering Miaoli Taiwan Graduate Institute of Intellectual Property National Taipei University of Technology Taiwan National United University Department of Energy Engineering Miaoli Taiwan

ISBN: (纸本)9798350394924

For how to store and transport hydrogen, the first thought is to store hydrogen directly in the cylinder. However, this method is not desirable, because generally at least 700 atm high pressure, the hydrogen contained in the cylinder to be useful. Therefore it is very unsafe at such high pressures. In This paper, we design and production of a new generation of solid-state hydrogen storage and discharge container. The goal of 'development of solid-state hydrogen storage technology' is to break through the bottlenecks of hydrogen storage technology safety, hydrogen storage density, high-efficiency hydrogen absorption and release, transportation safety, and engineering practice. © 2024 IEEE.

关键词： Aluminum

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Magnetoelastic coupling driven magnon gap in a honeycomb antiferromagnet

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Physical Review B 2024年第10期110卷 104419页

作者： Jeongheon Choe Andrey Baydin Gaihua Ye Bowen Ma Cynthia Nnokwe Martin Rodriguez-Vega David Lujan Swati Chaudhary Fuyang Tay Jiaming He Hiroyuki Nojiri Jianshi Zhou Gregory A. Fiete Junichiro Kono Rui He Xiaoqin Li Department of Physics Center of Complex Quantum Systems Center for Dynamics and Control of Materials Department of Electrical and Computer Engineering Smalley–Curl Institute Department of Physics Applied Physics Graduate Program Smalley–Curl Institute Department of Mechanical Engineering Institute for Materials Research Department of Physics and Astronomy Department of Materials Science and NanoEngineering

Cobalt titanate, CoTiO3, is a honeycomb antiferromagnet recently confirmed experimentally to host Dirac magnons, topological spin-orbit excitons, and chiral phonons. Here, we investigate a magnon gap at the zone center which calls for a refined spin Hamiltonian. We propose a microscopic model for the magnon gap and attribute it to a lattice-distortion (phonon)-induced higher-order spin interaction. Strong magnetoelastic coupling in CoTiO3 is also evident in Raman spectra, in which the magnetic order exerts a stronger influence on phonons corresponding to in-plane ionic motions than those with out-of-plane motions. We further examine the evolution of the zone-center magnons in a high magnetic field up to 18.5 T via THz absorption spectroscopy measurements. Based on this field dependence, we propose a spin Hamiltonian that not only agrees with magnon dispersion measured by inelastic neutron scattering but also includes fewer exchange constants and a realistic anisotropy term. Our work highlights the broad implications of magnetoelastic coupling in the study of topologically protected bosonic excitations.

关键词： Magnetism Magnons Topological materials Raman spectroscopy Terahertz spectroscopy

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La_(0.7)Ca_(0.3)MnO_(3-δ):Ag nanocomposite thin films with large temperature coefficient of resistance(TCR)

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Journal of Materiomics 2022年第4期8卷 799-805页

作者： Fei Jin Duojie Wu Yani Lu Zizhao Pan Meng Gu Hong Wang State Key Laboratory for Mechanical Behavior of Materials School of Electronic and Information EngineeringXi'an Jiaotong UniversityXi'an710049China Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen518055GuangdongChina Shenzhen Engineering Research Center for Novel Electronic Information Materials and Devices&Guangdong Provincial Key Laboratory of Functional Oxide Materials and Devices Southern University of Science and TechnologyShenzhen518055GuangdongChina Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming650093YunnanChina

In this work, oxygen vacancy-regulated La_(0.7)Ca_(0.3)MnO_(3-δ):Ag (LCMO:A) nanocomposite thin films onLaAlO_(3) (001) substrates were investigated to obtain films with large temperature coefficient of resistance(TCR) values. LCMO:A nanocomposite thin films were synthesized using pulsed laser deposition, andoxygen pressures during film deposition and annealing steps were optimized. As oxygen pressuresincreased, lattice parameter increased from 70 Pa to 100 Pa, Tp increased monotonically from 168 K to282 K, and average Mn^(4+) concentration in the film increased as indicated by X-ray photoemissionspectroscopy data. Record high TCR value of ~37% K^(-1) was achieved in LCMO:A nanocomposite thin filmprepared with optimal oxygen pressures, making this film promising candidate for applications inbolometers.

关键词： La_(0.7)Ca_(0.3)MnO_(3) Metal-insulator transition temperature Oxygen vacancies Temperature coefficient of resistance

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Deep Style Transfer for Generation of Photo-realistic Synthetic Images of CNT Forests

Deep Style Transfer for Generation of Photo-realistic Synthe...

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2023 IEEE Applied Imagery Pattern Recognition Workshop, AIPR 2023

作者： Kotha, Prashanth Reddy Attari, Minasadat Maschmann, Matthew Bunyak, Filiz University of Missouri Department of Electrical Engineering and Computer Science ColumbiaMO United States University of Missouri Department of Mechanical and Aerospace Engineering ColumbiaMO United States University of Missouri MU Materials Science and Engineering Institute ColumbiaMO United States

ISBN: (纸本)9798350359527

Carbon nanotubes (CNTs) are promising nano-materials with diverse applications in various fields, ranging from electronics and energy storage to biomedical applications. Characterization of CNT forest structures and prediction of material properties through image analytics are critical for new material design and discovery. Artificial intelligence and machine learning (AI/ML) driven approaches offer promising solutions towards these goals. These data-driven approaches rely on large amounts of annotated data for robust training. However, growing, imaging, and annotation of CNT forests are complex, time consuming, expensive processes limiting availability of such data. In this paper, we propose a novel neural style transfer pipeline to generate photo-realistic and structure-Aware synthetic images of CNT forests by imposing scanning electron microscopy (SEM) like appearance to physics-based simulation results. The proposed pipeline relies on a novel wavelet-based style transfer network and a selective decision fusion mechanism that allows better preservation of the thin curvilinear structures of CNTs, particularly their intricate details and connectivity, without introducing unwanted artifacts. Experimental results and quantitative analysis demonstrate refined style transfer that generates photo-realistic images that can be used to train AI/ML-driven CNT forest image analysis systems. © 2023 IEEE.

关键词： Carbon nanotubes

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Development of High Temperature Lead-free Solders in the Al-95Zn + xSn Systems

Development of High Temperature Lead-free Solders in the Al-...

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22nd International Conference on Electronics Packaging, ICEP 2023

作者： Laksono, Andromeda Dwi Yen, Yee-Wen National Taiwan University of Science and Technology Department of Materials Science and Engineering Taipei10672 Taiwan Institut Teknologi Kalimantan Study Program of Materials and Metallurgical Engineering East Kalimantan Balikpapan76127 Indonesia

ISBN: (纸本)9784991191152

The high-temperature lead-free solder alloys of Al-95Zn with the modification of the addition of Sn have been investigated. Its proportion is used to adjust the metallographic microstructure, solidified precipitate phase, and liquidus temperature of the solder alloy. The characterization results, such as scanning electron microscope (SEM), energy dispersive spectrometer (EDS), X-ray diffraction (XRD), and differential scanning calorimeter (DSC), will be discussed in this study. The study results show that the Al-Sn-Zn-based alloy has (Zn)+β- Sn+(Al) precipitates when heat-treated at 900°C for 36 h. Its liquidus temperature of Al-95Zn + xSn is between 342-385°C, and increased Sn content will decrease its liquidus temperature. © 2023 Japan Institute of Electronics Packaging.

关键词： Zinc alloys

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Heterostructured Mn_(3)O_(4)-MnS Multi-Shelled Hollow Spheres for Enhanced Polysulfide Regulation in Lithium-Sulfur Batteries

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Energy & Environmental materials 2023年第6期6卷 436-444页

作者： Bin Qin Qun Wang Weiqi Yao Yifei Cai Yuhan Chen Pengcheng Wang Yongchun Zou Xiaohang Zheng Jian Cao Junlei Qi Wei Cai State Key Laboratory of Advanced Welding and Joining Harbin Institute of TechnologyHarbin 150001China College of Chemistry and Chemical Engineering Taiyuan University of TechnologyTaiyuan 030024China State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China Department of Mechanical Engineering City University of Hong KongHong KongChina Center of Analysis Measurement and Computing Harbin Institute of TechnologyHarbin 150001China School of Materials Science and Engineering Harbin Institute of Technology Harbin 150001China

Constructing heterojunctions and hollow multi-shelled structures can render materials with fascinating physicochemical properties,and have been regarded as two promising strategies to overcome the severe shuttling and sluggish kinetics of polysulfide in lithium-sulfur(Li-S)***,a single strategy can only take limited *** catalytic hosts with synergistic effects are urgently ***,Mn_(3)O_(4)-MnS heterogeneous multi-shelled hollow spheres are meticulously designed by controlled sulfuration of Mn2O3 hollow spheres,and then applied as advanced encapsulation hosts for Li-S *** from the separated spatial confinement by hollow multi-shelled structure,ample exposed active sites and built-in electric field by heterogeneous interface,and synergistic effects between Mn_(3)O_(4)(strong adsorption)and MnS(fast conversion)components,the assembled battery achieves prominent rate capability and decent cyclability(0.016%decay per cycle at 2 C,1000 cycles).More crucially,satisfactory areal capacity reaches up to 7.1 mAh cm^(-2)even with high sulfur loading(8.0 mg cm^(-2))and lean electrolyte(E/S=4.0 pL mg^(-1))*** work will provide inspiration for the rational design of hollow multi-shelled heterostructure for various electrocatalysis applications.

关键词： electrocatalyst heterojunction host hollow multi-shelled structure Li-S battery Mn_(3)O_(4)-MnS

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