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SSRN 2022年

作者： Kim, Jeehwan Gal, Chang Woo Choi, Yeong-Jin Park, Honghyun Yoon, Seog-Young Yun, Hui-Suk School of Materials Science and Engineering Pusan National University Busan46241 Korea Republic of Department of Advanced Biomaterials Research Ceramic Materials Division Korea Institute of Materials Science Gyeongsangnam-do Changwon51508 Korea Republic of Daejeon34113 Korea Republic of

Defect-free three-dimensional (3D)-printed ceramics, such as alumina, zirconia, and titania, have been successfully fabricated by controlling the initial defect formation using a non-reactive diluent, namely, polypropylene glycol (PPG), as an additive in the photocurable resin. By crosslinking with uncured monomers in 3D-printed ceramic green bodies, PPG prevented them from evaporating early, which often results in defect formation at low temperatures ( © 2022, The Authors. All rights reserved.

关键词： Zirconia

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Structural, optical, and electronic properties of barium titanate: experiment characterisation and first-principles study

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materials and Processing Report 2022年第14期37卷 2995-3005页

作者： Mohammed Tihtih Jamal Eldin F. M Ibrahim Mohamed A. Basyooni Walid Belaid László A. Gömze István Kocserha a Institute of Ceramic and Polymer Engineering University of Miskolc Miskolc Hungary b Department of Nanotechnology and Advanced Materials Graduate School of Applied and Natural Science Selçuk University Konya Turkeyc Science and Technology Research and Application Center (BITAM) Necmettin Erbakan University Konya Turkey d Department of Physics Faculty of Science Selçuk University Konya Turkey a Institute of Ceramic and Polymer Engineering University of Miskolc Miskolc Hungarye Department of Mechanics of Deformed Solids National Research Tomsk State University Tomsk Russia

ABSTRACTABSTRACTTo study the structural, electronic, and optical properties of lead-free Barium titanate BaTiO3(BT) ferroelectric material in its tetragonal structure, a combination of experimental and theoretical studies has been used and the obtained results were discussed. The studied BT compound was prepared via the sol–gel technique. The calculated bandgap energy (Eg) and structural parameters of BT are determined using four types of exchange–correlation functionals (PBE, PBEsol, LDA, and PW91) in the perspective of the density functional theory (DFT). XRD and Raman analysis have shown that BT ceramic exhibits a tetragonal phase structure without any trace of impurity phases. The UV–vis investigation showed that BT has a bandgap energy of 3.19 eV, which is larger than the theoretically calculated values. The computed lattice parameter c is overestimated (as large as ~1% deviation) when using the LDA approximation. In contrast, PBEsol proved that those lattice constants were close to the experimental values (a deviation of less than 1%).

关键词： BaTiO3 sol-gel DFT spectroscopy band structure

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A Theoretical Framework for Design and Validation of in situ Composite Manufacturing Techniques

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Funtai Oyobi Fummatsu Yakin/Journal of the Japan Society of Powder and Powder Metallurgy 2025年 72卷 S1659-S1665页

作者： Deschamps, Isadora Schramm Avila, Daniel dos Santos Piazera, Enzo Vanzuita Cruz, Robinson Dudley Aguilar, Claudio Klein, Aloisio Nelmo Campus Universitário Reitor João David Ferreira Lima s/n° Florianópolis Trindade88040-900 Brazil TU Delft Department of Materials Science and Engineering Delft University of Technology Mekelweg 2 Delft2628 CD Netherlands Caxias do Sul University Ceramic Materials Institute Caxias do Sul - RS Petrópolis95070-560 Brazil Hecílio Randon Institute Estr. Arziro Galafassi s/no - Linha Palmeiro RS Farroupilha95180-000 Brazil Universidad Técnica Federico Santa María Department of Metallurgical Engineering and Materials Valparaíso2340000 Chile

In situ composite manufacturing techniques can improve the bond between the matrix and reinforcements in a composite material. This is achieved by creating the reinforcements within the matrix through the reaction of precursor materials, which form the desired phases. Thermodynamic data and simulation tools can be used to validate the process and design variables, saving time and resources. The aim of this study is to apply a theoretical framework developed by the authors to the development of a Fe-NbC in situ metal matrix composite. The framework involves using Gibbs free energy and dissociation criteria of reinforcements to validate the feasibility of the composite system and to assess composite formation kinetics and microstructural features based on the driving force and diffusion of elements in raw materials. Here, we demonstrate the application of these tools to the development of a Fe-NbC composite, starting from validating the feasibility to selecting between elemental powders, solid solutions, and intermetallics to achieve the desired microstructure. ©2025 Japan Society of Powder and Powder Metallurgy.

关键词： Free energy

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Antiferromagnetic V2O3 based exchange coupling

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Physical Review materials 2024年第5期8卷 054407-054407页

作者： Ralph el Hage Tianxing D. Wang Junjie Li Ali C. Basaran Felipe Torres Ivan K. Schuller Department of Physics and Center for Advanced Nanoscience University of California San Diego La Jolla California 92093 USA Materials Science and Engineering Program University of California San Diego La Jolla California 92093 USA Department of Physics Universidad de Chile Santiago 7800024 Chile Center for the Development of Nanoscience and Nanotechnology CEDENNA Santiago 9170124 Chile

Vanadium sesquioxide (V2O3) is a strongly correlated electronic material that famously undergoes a triple coupled first-order transition where it transitions from a paramagnetic metal with a rhombohedral structure at high temperature to an antiferromagnetic insulator with a monoclinic structure. While several studies have used one of both electronic and structural transitions to control the properties of a heterostructure, evidence of magnetic coupling has notoriously yet to be found. In this paper, we report on a robust magnetic coupling between the antiferromagnetic (AFM) V2O3 and ferromagnetic (FM) Permalloy (Py) layers that results in a significant exchange bias and strain-induced coercivity enhancement. We provide a temperature and angle-dependent study of magnetic properties, which clearly indicates exchange bias at the AFM/FM interface that appears at the onset of the metal-insulator transition. The magnitude of the exchange bias is strongest when the field is applied along the [001] V2O3 crystallographic orientation which corresponds to an AFM spin configuration on the [110] surface. This opens the door to designing and implementing novel functionalities in transition metal oxide-based computing using the connection between magnetism and the metal-insulator transition.

关键词： First order phase transitions Magnetic anisotropy Magnetic coupling Magnetism Magnetization dynamics Antiferromagnets Magnetic thin films Thin films Kerr effect Magnetization measurements X-ray reflectivity

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Field-controlled dynamics of skyrmions and monopoles

arXiv

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arXiv 2023年

作者： Tai, Jung-Shen B. Hess, Andrew J. Wu, Jin-Sheng Smalyukh, Ivan I. Department of Physics Chemical Physics Program University of Colorado BoulderCO80309 United States Department of Electrical Computer and Energy Engineering Materials Science and Engineering Program Soft Materials Research Center University of Colorado BoulderCO80309 United States Renewable and Sustainable Energy Institute National Renewable Energy Laboratory University of Colorado BoulderCO80309 United States

Magnetic monopoles, despite their ongoing experimental search as elementary particles, have inspired the discovery of analogous excitations in condensed matter systems. In chiral condensed matter systems, emergent monopoles are responsible for the onset of transitions between topologically distinct states and phases, like in the case of transitions from helical and conical phase to A-phase comprising periodic arrays of skyrmions. By combining numerical modeling and optical characterizations, we describe how different geometrical configurations of skyrmions terminating at monopoles can be realized in liquid crystals and liquid crystal ferromagnets. We demonstrate how such complex structures can be effectively manipulated by external magnetic and electric fields. Furthermore, we discuss how our findings may hint at similar dynamics in other physical systems, and their potential applications. © 2023, CC BY.

关键词： Liquid crystals

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Phase Equilibria and Thermodynamics Assessment of the Co-Fe-Nb Ternary System

SSRN

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SSRN 2023年

作者： Hutabalian, Yohanes Hermana, Gita Novian Laksono, Andromeda Dwi Chen, Sinn-Wen Department of Chemical Engineering National Tsing Hua University Hsinchu30013 Taiwan Research and Development Center PT. Gotion Indonesia Materials Jakarta12950 Indonesia Department of Advanced Materials Engineering Bandung Polytechnic for Manufacturing West Java Bandung40135 Indonesia Department of Materials Science and Engineering National Taiwan University of Science and Technology Taipei10672 Taiwan Study Program of Materials and Metallurgical Engineering Institut Teknologi Kalimantan Soekarno-Hatta Street Km. 15 Karang Joang Balikpapan East Kalimantan76127 Indonesia High Entropy Materials Center National Tsing Hua University Hsinchu30013 Taiwan

The Co-Fe-Nb materials system is a crucial material for magnetic applications. Despite its importance, the phase equilibria and thermodynamic characteristics of this ternary system have not been explored in detail. This study employs the Calphad method to model the phase equilibria of the Co-Fe-Nb ternary system. To obtain the ternary interaction parameters, the experimental data on the isothermal sections at temperatures ranging from 700°C to 1300°C was evaluated. These findings indicate that the Co-Fe-Nb system contains no ternary compound, and the (Co,Fe)7Nb6 phase exists as a single solid solution. Significant solubility of the third element in the binary compounds of Co2Nb (laves C14) and Fe2Nb (laves C15) is also observed. The results are in good agreement with the experimental data. Furthermore, a liquidus projection of the system is presented, for the first time, revealing seven primary solidification phases in the Co-Fe-Nb ternary system. © 2023, The Authors. All rights reserved.

关键词： Ternary systems

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Unavoidable multilevel biaxial symmetry breaking in chiral hybrid liquid crystals

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Physical Review E 2025年第4期111卷 045410-045410页

作者： Jin-Sheng Wu Marina Torres Lázaro Souvik Ghosh Haridas Mundoor Henricus H. Wensink Ivan I. Smalyukh Department of Physics and Chemical Physics Program University of Colorado Boulder Colorado 80309 USA Laboratoire de Physique des Solides–UMR 8502 Université Paris-Saclay and CNRS 91405 Orsay France International Institute for Sustainability with Knotted Chiral Meta Matter Hiroshima University Higashihiroshima Japan Department of Electrical Computer and Energy Engineering Materials Science and Engineering Program and Soft Materials Research Center University of Colorado Boulder Colorado 80309 USA Renewable and Sustainable Energy Institute National Renewable Energy Laboratory and University of Colorado Boulder Colorado 80309 USA

Chiral nematic or cholesteric liquid crystals (LCs) are fluid mesophases with long-ranged orientational order featuring a quasilayered periodicity imparted by a helical director configuration but lacking long-range positional order. Doping molecular cholesteric LCs with strongly anisotropic uniaxial colloidal particles adds another level of complexity because of the interplay between weak surface-anchoring boundary conditions and bulk-based elastic distortions near the particle-LC interface. Using cylindrical colloidal disks and rods with different geometric shapes and surface conditions, we demonstrate that these colloidal inclusions generically exhibit biaxial orientational probability distributions which may impart anomalously strong local biaxiality onto the hybrid cholesteric LC structure. Unlike nonchiral hybrid molecular-colloidal LCs, where biaxial order emerges only at critical colloid volume fractions exceeding some uniaxial-biaxial transition value, the orientational probability of the colloidal inclusions immersed in chiral nematic hosts is unambiguously biaxial even at infinite dilution. We demonstrate that the colloids induce local biaxial perturbations within the molecular orientational order of the LC host medium which strongly enhances the weak but native biaxial order of chiral nematic LC induced by the chiral symmetry breaking of the director field. With the help of analytical modeling and computer simulations based on the Landau–de Gennes free energy of the host LC around the colloids, we rationalize the observed multilevel biaxial order and conclude that it is not only unavoidable but also strongly enhanced compared to both achiral hybrid LCs and purely molecular cholesteric LCs.

关键词： Cholesteric liquid crystals

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Highly Stable Silicon Anodes Enabled by Sub-10 nm Pores and Particles

arXiv

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arXiv 2025年

作者： Ghildiyal, Pankaj Wagner, Brandon Chen, Jianjun Nguyen, Tu Belamkar, Aishwarya Guo, Juchen Mangolini, Lorenzo SiLi-ion Inc. Multidisciplinary Research Building 3401 Watkins Dr RiversideCA92507 United States Materials Science and Engineering Program University of California Riverside RiversideCA92521 United States Department of Chemical and Environmental Engineering University of California Riverside RiversideCA92521 United States Department of Mechanical Engineering University of California Riverside RiversideCA92521 United States

Silicon anodes offer high energy densities for next-generation lithium-ion batteries;however, their application is limited by severe volume expansion during cycling. Making silicon porous or nanostructured mitigates this expansion but often increases lithium inventory losses due to the inherent high surface area of nanomaterials. This study introduces a simple bottom-up process that overcomes this limitation. The approach relies on small silicon particles (-3), all while maintaining good processability. The resulting silicon-dominant anodes achieve remarkable stability in full pouch cells with NMC811 and LFP cathodes, retaining ~80% capacity for more than 400 cycles without pre-lithiation, graphite blending, or pre-cycling. © 2025, CC BY.

关键词： Lithium-ion batteries

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Evolution of electronic and magnetic properties in the topological semimetal SmSbxTe2−x

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Physical Review B 2022年第15期105卷 155139-155139页

作者： Krishna Pandey Rabindra Basnet Jian Wang Bo Da Jin Hu Materials Science and Engineering Program Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 USA Department of Physics University of Arkansas Fayetteville Arkansas 72701 USA Department of Chemistry and Biochemistry Wichita State University Wichita Kansas 67260 USA Research and Services Division of Materials Data and Integrated System National Institute for Materials Science 1-1 Namiki Tsukuba Ibaraki 305-0044 Japan

The ZrSiS-type materials have attracted intensive attention due to the existence of various topological fermions. The magnetic version of the ZrSiS-type materials, LnSbTe (Ln=lanthanides), is an ideal candidate to explore novel exotic states due to the interaction between magnetism and topology. In this work, we report the experimental study on structural, magnetic, thermodynamic, and electronic properties for SmSbxTe2−x with various Sb content. The revealed evolutions of these properties with tuning the compositions would provide useful insights for the fundamental topological physics and the future applications.

关键词： Magnetic order Topological materials Topological phases of matter Antiferromagnets Single crystal materials Strongly correlated systems Crystal growth Crystal structures Energy-dispersive x-ray spectroscopy Magnetization measurements Specific heat measurements X-ray diffraction

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Three-dimensional morphology of an ultrafine Al-Si eutectic produced via laser rapid solidification

arXiv

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arXiv 2023年

作者： Zhou, Xinyi Chao, Paul Sloan, Luke Lien, Huai-Hsun Hunter, Allen H. Misra, Amit Shahani, Ashwin J. Engineering Physics Program University of Michigan Ann ArborMI48109 United States Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Michigan Center for Materials Characterization University of Michigan Ann ArborMI48109 United States Department of Chemical Engineering University of Michigan Ann ArborMI48109 United States

Al-Si alloys processed by laser rapid solidification yield eutectic microstructures with ultrafine and interconnected fibers. Such fibrous structures have long been thought to bear resemblance to those formed in impurity-doped alloys upon conventional casting. Here, we show that any similarity is purely superficial. By harnessing high-throughput characterization and computer vision techniques, we perform a three-dimensional analysis of the branching behavior of the ultrafine eutectic and compare it against an impurity-modified eutectic as well as a random fractal (as a benchmark). Differences in the branching statistics point to different microstructural origins of the impurity- and quench-modified eutectic. Our quantitative approach is not limited to the data presented here but can be used to extract abstract information from other volumetric datasets, without customization. © 2023, CC BY.

关键词： Eutectics

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