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arXiv 2025年

作者： Lee, Jun-Yong Kumari, Asha Yuan, Ye Tasinkevych, Mykola Smalyukh, Ivan I. International Institute for Sustainability with Knotted Chiral Meta Matter Hiroshima University 1-3-1 Kagamiyama Higashi-Hiroshima Hiroshima739-8526 Japan Department of Physics and Mathematics School of Science and Technology Nottingham Trent University Clifton Lane NottinghamNG11 8NS United Kingdom Department of Physics University of Colorado BoulderCO80309 United States Department of Electrical Computer and Energy Engineering Materials Science and Engineering Program and 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

Topology can manifest itself in colloids when quantified by invariants like Euler characteristics of nonzero-genus colloidal surfaces, albeit spherical colloidal particles are most often studied, and colloidal particles with complex topology are rarely considered. On the other hand, singular defects and topological solitons often define the physical behavior of the molecular alignment director fields in liquid crystals. Interestingly, nematic liquid crystalline dispersions of colloidal particles allow for probing the interplay between topologies of surfaces and fields, but only a limited number of such cases have been explored so far. Here, we study the hybridization of topological solitons, singular defects, and topologically nontrivial colloidal particles with the genus of surfaces different from zero in a chiral nematic liquid crystal phase. Hybridization occurs when distortions separately induced by colloidal particles and LC solitons overlap, leading to energy minimization-driven redistribution of director field deformations and defects. As a result, hybrid director configurations emerge, combining topological features from both components. We uncover a host of director field configurations complying with topological theorems, which can be controlled by applying electric fields. Rotational and translational dynamics arise due to the nonreciprocal evolution of the director fields in response to alternating electric fields of different frequencies. These findings help define a platform for controlling topologically hyper-complex colloidal structures and dynamics with electrically reconfigurable singular defects and topological solitons induced by colloidal handlebodies. Copyright © 2025, The Authors. All rights reserved.

关键词： Topology

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Defect engineering Centrosymmetric 2D Material Flexocatalysts

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Small 2024年第31期20卷 2401116-2401116页

作者： Chen, Yu-Ching Chen, Po-Han Liao, Yin-Song Chou, Jyh-Pin Wu, Jyh Ming Department of Materials Science and Engineering National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan Ph.D. Program in Prospective Functional Materials Industry National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan Tsing Hua Interdisciplinary Program National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan Department of Physics National Changhua University of Education No. 1 Jin-De Road Changhua500 Taiwan High Entropy Materials Center National Tsing Hua University 101 Section 2 Kuang Fu Road Hsinchu300 Taiwan

In this study, the flexoelectric characteristics of 2D TiO2 nanosheets are examined. The theoretical calculations and experimental results reveal an excellent strain-induced flexoelectric potential (flexopotential) by an effective defect engineering strategy, which suppresses the recombination of electron–hole pairs, thus substantially improving the catalytic activity of the TiO2 nanosheets in the degradation of Rhodamine B dye and the hydrogen evolution reaction in a dark environment. The results indicate that strain-induced bandgap reduction enhances the catalytic activity of the TiO2 nanosheets. In addition, the TiO2 nanosheets degraded Rhodamine B, with kobs being ≈1.5 × 10−2 min−1 in dark, while TiO2 nanoparticles show only an adsorption effect. 2D TiO2 nanosheets achieve a hydrogen production rate of 137.9 µmol g−1 h−1 under a dark environment, 197% higher than those of TiO2 nanoparticles (70.1 µmol g−1 h−1). The flexopotential of the TiO2 nanosheets is enhanced by increasing the bending moment, with excellent flexopotential along the y-axis. Density functional theory is used to identify the stress-induced bandgap reduction and oxygen vacancy formation, which results in the self-dissociation of H2O on the surface of the TiO in the dark. The present findings provide novel insights into the role of TiO2 flexocatalysis in electrochemical reactions. © 2024 Wiley-VCH GmbH.

关键词： Titanium dioxide

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Balancing Pore Accessibility and Hydrophobicity for Enhanced Perfluorooctanoic Acid Removal: A Case Study on NU-1000

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Chemistry of materials 2025年第11期37卷 4027-4037页

作者： Nour Alkhatib A. Ozgur Yazaydin Serdal Kirmizialtin Chemistry Program Science Division New York University Abu Dhabi Abu Dhabi 129188 United Arab Emirates；Department of Chemistry New York University New York New York 10003 United States Department of Chemical Engineering University College London Gower Street London WC1E 7JE U.K. Chemistry Program Science Division New York University Abu Dhabi Abu Dhabi 129188 United Arab Emirates；Department of Chemistry New York University New York New York 10003 United States；Center for Smart Engineering Materials New York University Abu Dhabi Abu Dhabi 129188 United Arab Emirates

Perfluorooctanoic acid (PFOA), a persistent pollutant from the PFCA class, poses significant environmental and health risks due to its resistance to degradation. Metal–organic frameworks (MOFs) offer a promising solution for removing PFOA from water; however, the mechanisms underlying PFOA uptake and the optimization of MOFs for this application remain unclear. In this study, we explore the adsorption mechanism of PFOA on NU-1000, a zirconium-based MOF, using molecular dynamics (MD) simulations conducted in an explicit water environment to replicate realistic conditions. Our findings, consistent with experimental observations, provide atomistic insights into PFOA adsorption, identifying hydrophobic interactions as key drivers of its removal. Leveraging these insights, we propose two functionalization strategies using the SALI method. Among these, NU-F, the MOF functionalized with fluorobenzoate ligands, exhibits superior PFOA uptake across all tested concentrations, achieving a higher removal efficiency and faster adsorption kinetics. The enhanced performance of NU-F is attributed to its optimal balance of hydrophobic interactions and efficient pore utilization. This study underscores the importance of rational functionalization in MOF design for environmental remediation and offers a promising pathway for developing advanced adsorbents targeting PFOA and other PFCAs pollutants.

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A reduced kinetic method for investigating non-local ion heat transport in ideal multi-species plasmas

arXiv

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arXiv 2024年

作者： Mitchell, Nicholas T. Chapman, David A. McDevitt, Christopher J. Read, Martin P. Kagan, Grigory The Blackett Laboratory Imperial College LondonSW7 2AZ United Kingdom First Light Fusion Ltd. Unit 9/10 Oxford Pioneer Park Mead Road Yarnton Kidlington OX5 1QU United Kingdom Nuclear Engineering Program Department of Materials Science and Engineering University of Florida GainesvilleFL32611 United States

A reduced kinetic method (RKM) with a first-principle collision operator is introduced in a 1D2V planar geometry and implemented in a computationally inexpensive code to investigate non-local ion heat transport in multi-species plasmas. The RKM successfully reproduces local results for multi-species ion systems and the important features expected to arise due to non-local effects on the heat flux are captured. In addition to this, novel features associated with multi-species, as opposed to single species, case are found. Effects of non-locality on the heat flux are investigated in mass and charge symmetric and asymmetric ion mixtures with temperature, pressure, and concentration gradients. In particular, the enthalpy flux associated with diffusion is found to be insensitive to sharp pressure and concentration gradients, increasing its significance in comparison to the conductive heat flux driven by temperature gradients in non-local scenarios. The RKM code can be used for investigating other kinetic and non-local effects in a broader plasma physics context. Due to its relatively low computational cost it can also serve as a practical non-local ion heat flux closure in hydrodynamic simulations or as a training tool for machine learning surrogates. © 2024, CC BY.

关键词： Ions

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Sequential minimum optimization algorithm with small sample size estimators

arXiv

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arXiv 2023年

作者： Roga, Wojciech Ono, Takafumi Takeoka, Masahiro Department of Electronics and Electrical Engineering Keio University 3-14-1 Hiyoshi Kohoku Kanagawa Yokohama223-8522 Japan Program in Advanced Materials Science Faculty of Engineering and Design Kagawa University 2217-20 Hayashi-cho Kagawa Takamatsu761-0396 Japan JST PRESTO 4-1-8 Honcho Saitama Kawaguchi332-0012 Japan 4-2-1 Nukuikita Koganei Tokyo184-8795 Japan

Sequential minimum optimization is a machine-learning global search training algorithm. It is applicable when the functional dependence of the cost function on a tunable parameter given the other parameters can be cheaply determined. This assumption is satisfied by quantum circuits built of known gates. We apply it to photonics circuits where the additional challenge appears: low frequency of coincidence events lowers the speed of the algorithm. We propose to modify the algorithm such that small sample size estimators are enough to successfully run the machine learning task. We demonstrate the effectiveness of the modified algorithm applying it to a quantum optics classifier with data reuploading. © 2023, CC BY.

关键词： Machine learning

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Moiré exciton polaron engineering via twisted hBN

arXiv

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arXiv 2024年

作者： Cho, Minhyun Datta, Biswajit Han, Kwanghee Chand, Saroj B. Adak, Pratap Chandra Yu, Sichao Li, Fengping Watanabe, Kenji Taniguchi, Takashi Hone, James Jung, Jeil Grosso, Gabriele Kim, Young Duck Menon, Vinod M. Department of Physics Kyung Hee University 26 Kyungheedae-ro Seoul02447 Korea Republic of Department of Physics City College of New York New YorkNY10031 United States Photonics Initiative Advanced Science Research Center City University of New York New YorkNY10031 United States Department of Physics Department of Smart Cities University of Seoul Seoul02504 Korea Republic of Research Center for Electronic and Optical Materials National Institute for Materials Science 1-1 Namiki Tsukuba305-0044 Japan Research Center for Materials Nanoarchitectonics National Institute for Materials Science 1-1 Namiki Tsukuba305-0044 Japan Department of Mechanical Engineering Columbia University New YorkNY10027 United States Physics Program Graduate Center City University of New York New YorkNY10016 United States Department of Information Display Kyung Hee University Seoul02447 Korea Republic of

Twisted hexagonal boron nitride (thBN) exhibits emergent ferroelectricity due to the formation of moiré superlattices with alternating AB and BA domains. These domains possess electric dipoles, leading to a periodic electrostatic potential that can be imprinted onto other 2D materials placed in its proximity. Here we demonstrate the remote imprinting of moiré patterns from twisted hexagonal boron nitride (thBN) onto monolayer MoSe2 and investigate the resulting changes in the exciton properties. We confirm the imprinting of moiré patterns on monolayer MoSe2 via proximity using Kelvin probe force microscopy (KPFM) and hyperspectral photoluminescence (PL) mapping. By developing a technique to create large ferroelectric domain sizes ranging from 1 µm to 8.7 µm, we achieve unprecedented potential modulation of ∼ 387±52 meV. We observe the formation of exciton polarons due to charge redistribution caused by the antiferroelectric moiré domains and investigate the optical property changes induced by the moiré pattern in monolayer MoSe2 by varying the moiré pattern size down to ∼110 nm. Our findings highlight the potential of twisted hBN as a platform for controlling the optical and electronic properties of 2D materials for optoelectronic and valleytronic applications. © 2024, CC BY-NC-ND.

关键词： Boron nitride

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Controlling and measuring a superposition of position and momentum

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Physical Review A 2023年第1期108卷 012215-012215页

作者： Takafumi Ono Nigam Samantarray John G. Rarity Quantum Engineering Technology Laboratories H. H. Wills Physics Laboratory and Department of Electrical & Electronic Engineering University of Bristol Bristol BS8 1FD United Kingdom Program in Advanced Materials Science Faculty of Engineering and Design Kagawa University 2217-20 Hayashi-cho Takamatsu Kagawa 761-0396 Japan JST PRESTO 4-1-8 Honcho Kawaguchi Saitama 332-0012 Japan Department of Physics University of Strathclyde John Anderson Building 107 Rottenrow Glasgow G4 0NG United Kingdom

We present an observation of quantum interference between position and momentum with photons. We prepared a superposition of position and momentum states by using slits, lenses, and an interferometer. The precise control and measuring of propagation time of the photon results in a clear quantum interference of 85% visibility. The generated quantum state is then used to verify the violation of particle propagation inequality proposed by Hofmann [Phys. Rev. A 96, 020101(R) (2017)], resulting in 5.9% below the statistically predicted lower bound. We believe that this result is a major step towards further developments in quantum theory, such as fundamental modifications to the interpretation of quantum mechanics.

关键词： Quantum control Quantum information theory Quantum measurements Quantum metrology

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Rapid Electronic Transport Channel of Co-P with Mo in a Heterostructure Embedded with P, N Dual Doped Porous Carbon for Electrocatalytic Oxygen and Hydrogen Evolution

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ChemNanoMat 2024年第7期10卷

作者： Dey, Tapan Rajput, Anubha Jhaa, Gaurav Matsagar, Babasahab M. Chen, Norman C.-R Kumar, Nitish Salunkhe, Rahul Wu, Kevin C.-W. Chakraborty, Biswarup Dutta, Saikat Electrochemical Energy & Sensor Research Laboratory Amity Institute of Click Chemistry Research & Studies Amity University Noida India Department of Chemistry Indian Institute of Technology Delhi Hauz Khas New Delhi110016 India Chemical Information Sciences Laboratory Department of Chemistry Pondicherry University Kalapet Pondicherry605014 India Department of Chemical Engineering National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taiwan Materials Research Laboratory Department of Physics Indian Institute of Technology Jammu Jammu India Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan Chung-Li Taiwan Department of Chemical Engineering Chung Yuan Christian University No. 200 Zhongbei Rd. Zhongli Dist. Taoyuan City320 Taiwan

We developed a molybdenum (Mo)-doped cobalt (Co)-heterostructure embedded on a phosphorous (P) and nitrogen (N) dual-doped porous carbon which exhibits an intrinsic electronic transport channel of Co to Mo and P. The P,Mo,O−Co/PNC/NF (NF=Nickel foam) electrode offers 335 mV overpotential at 10 mA cm−2 in OER as compared with PMA-ZIF67-NC/NF and ZIF67-NC/NF electrode with an overpotential of 357 and 373 mV respectively. Linear sweep voltammetry (LSV) of overall water splitting (OWS) supports that the current density gradually increased at a cell potential of 1.6 V with a maximum of 40 mA with a corresponding cell potential of 1.79 V at a current density of 10 mA cm−2. Density functional theory (DFT) calculations for water adsorption on optimized [111] surface of Co, CoMo, and CoMoP2 with adsorbed H2O and corresponding lattice determine the electron density difference of [111] surface with adsorbed H2O for Eads (eV) 4.23 corresponds to adsorption energy for CoMoP2. XANE-EXAFS spectroscopy of P,Mo,O−Co/PNC at Co K edge and Mo K edge suggests the presence of higher valence of both Cox+ and Mox+ without metallic Co and Mo and Co−P and Mo−P bonds as major structural units due to phosphidation as determined by R-space FT-EXAFS spectra. © 2024 Wiley-VCH GmbH.

关键词： Cobalt

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Interaction-driven transport of dark excitons in 2D semiconductors with phonon-mediated optical readout

arXiv

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arXiv 2022年

作者： Chand, Saroj B. Woods, John M. Quan, Jiamin Mejia, Enrique Taniguchi, Takashi Watanabe, Kenji Alù, Andrea Grosso, Gabriele Photonics Initiative Advanced Science Research Center City University of New York New YorkNY10031 United States International Center for Materials Nanoarchitectonics National Institute for Materials Science 1-1 Namiki Tsukuba305-0044 Japan Research Center for Functional Materials National Institute for Materials Science 1-1 Namiki Tsukuba305-0044 Japan Department of Electrical Engineering City College of the City University of New York New YorkNY10031 United States Physics Program Graduate Center City University of New York New YorkNY10016 United States

The growing field of quantum information technology requires propagation of information over long distances with efficient readout mechanisms. Excitonic quantum fluids have emerged as a powerful platform for this task due to their straightforward electro-optical conversion. In two-dimensional transition metal dichalcogenides, the coupling between spin and valley provides exciting opportunities for harnessing, manipulating and storing bits of information. However, the large inhomogeneity of single layers cannot be overcome by the properties of bright excitons, hindering spin-valley transport. Nonetheless, the rich band structure supports dark excitonic states with strong binding energy and longer lifetime, ideally suited for long-range transport. Here we show that dark excitons can diffuse over several micrometers and prove that this repulsion-driven propagation is robust across non-uniform samples. The long-range propagation of dark states with an optical readout mediated by chiral phonons provides a new concept of excitonic devices for applications in both classical and quantum information technology. Copyright © 2022, The Authors. All rights reserved.

关键词： Sulfur compounds

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Large-Scale Distributed Multidisciplinary Design Optimization of the NASA Lift-Plus-Cruise Air Taxi Concept

Large-Scale Distributed Multidisciplinary Design Optimizatio...

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AIAA science and Technology Forum and Exposition, AIAA SciTech Forum 2025

作者： van Schie, Sebastiaan P. C. Ruh, Marius L. Fletcher, Andrew Warner, Michael Sperry, Mark Scotzniovsky, Luca Orndorff, Nicholas C. Xiang, Ru Yan, Jiayao Zhao, Han Krokowski, Joshua J. Chen, J.S. Sarojini, Darshan Gill, Hyunjune Lee, Seongkyu Tagg, Andrew Anderson, Ryan Green, Eric Joseph, Cibin Ning, Andrew Cheng, Zeyu Cao, Zhi Mi, Chunting Guibert, Alexandre T. R. Cronk, Ashley Kim, H. Alicia Meng, Y. Shirley Silva, Christopher Hwang, John T. University of California San Diego 9500 Gilman Dr La Jolla CA92093 United States Department of Mechanical and Aerospace Engineering University of California San Diego 9500 Gilman Dr La Jolla CA92093 United States Department of Structural Engineering University of California San Diego 9500 Gilman Dr La Jolla CA92093 United States Aerospace and Ocean Engineering Department Virginia Tech 1600 Innovation Dr BlacksburgVA24060 United States Department of Mechanical and Aerospace Engineering University of California Davis 1 Shields Avenue DavisCA95616 United States Mechanical Engineering Brigham Young University ProvoUT84602 United States Department of Electrical & Computer Engineering San Diego State University 5500 Campanile Dr San Diego92182 United States Structural Engineering Department University of California San Diego 9500 Gilman Dr La Jolla CA92093 United States Materials Science & Engineering Program University of California San Diego 9500 Gilman Dr La Jolla CA92093 United States Pritzker School of Molecular Engineering The University of Chicago ChicagoIL60607 United States NASA Ames Research Center Moffett FieldCA94035 United States

ISBN: (数字)9781624107238

ISBN: (纸本)9781624107238

Large-scale gradient-based Multidisciplinary Design Optimization (MDO) can aid in the exploration of high-dimensional design spaces for novel air vehicle concepts, thereby leading to more efficient and economic designs. This paper builds on past works where we demonstrated large-scale physics-based MDO capabilities and applied these to NASA’s lift-plus-cruise electric air taxi concept. We extend this comprehensive mid-fidelity system-level optimization problem with high(er)-fidelity subsystem-level optimizations of various aircraft systems and mission phases, with the aim of further enhancing the accuracy and scope of the aforementioned system-level optimization problem: 1) Power minimization during the transition mission phase;2) Electrical powertrain topology optimization;3) Cell chemistry modeling and thermomechanical battery pack topology optimization;4) Shell-based coupled aero-elastic wing structure optimization. An Analytical Target Cascading-like distributed MDO architecture allows us to couple the system- and subsystem-level optimizations in order to arrive at a consistent and feasible design. We find that the system-level design is most heavily impacted by the reduced battery pack-level energy densities that stem from power peaks in the mission profile. These power peaks seem to result from the inefficient lift rotor blade designs that are needed to satisfy noise constraints. We draw conclusions based on trends in our results and give recommendations for future MDO studies of electrical air taxi vehicle concepts. © 2025, American Institute of Aeronautics and Astronautics Inc, AIAA. All rights reserved.

关键词： Shape optimization

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