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arXiv 2023年

作者： Anantharaman, Surendra B. Lynch, Jason Stevens, Christopher E. Munley, Christopher Li, Chentao Hou, Jin Zhang, Hao Torma, Andrew Darlington, Thomas Coen, Francis Li, Kevin Majumdar, Arka Schuck, P. James Mohite, Aditya Harutyunyan, Hayk Hendrickson, Joshua R. Jariwala, Deep Department of Electrical and Systems Engineering University of Pennsylvania PhiladelphiaPA19104 United States KBR Inc. BeavercreekOH45431 United States Air Force Research Laboratory Sensors Directorate Wright-Patterson Air Force Base OH45433 United States Department of Physics University of Washington SeattleWA98195 United States Department of Physics Emory University AtlantaGA30322 United States Department of Chemical and Biomolecular Engineering Rice University HoustonTX77005 United States Department of Materials Science and Nanoengineering Rice University HoustonTX77005 United States Applied Physics Program Smalley‐Curl Institute Rice University HoustonTX77005 United States Department of Mechanical Engineering Columbia University New YorkNY10027 United States Department of Electrical and Computer Engineering University of Washington SeattleWA98195 United States

Excitons, bound electron-hole pairs, in Two-Dimensional Hybrid Organic Inorganic Perovskites (2D HOIPs) are capable of forming hybrid light-matter states known as exciton-polaritons (E-Ps) when the excitonic medium is confined in an optical cavity. In the case of 2D HOIPs, they can self-hybridize into E-Ps at specific thicknesses of the HOIP crystals that form a resonant optical cavity with the excitons. However, the fundamental properties of these self-hybridized E-Ps in 2D HOIPs, including their role in ultrafast energy and/or charge transfer at interfaces, remain unclear. Here, we demonstrate that > 0.5 µm thick 2D HOIP crystals on Au substrates are capable of supporting multiple-orders of self-hybridized E-P modes. These E-Ps have high Q factors (> 100) and modulate the optical dispersion for the crystal to enhance sub-gap absorption and emission. Through varying excitation energy and ultrafast measurements, we also confirm energy transfer from higher energy upper E-Ps to lower energy, lower E-Ps. Finally, we also demonstrate that E-Ps are capable of charge transport and transfer at interfaces. Our findings provide new insights into charge and energy transfer in E-Ps opening new opportunities towards their manipulation for polaritonic devices. © 2023, CC BY.

关键词： Charge transfer

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A Nodal Immersed Finite Element-Finite Difference Method

SSRN

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SSRN 2022年

作者： Wells, David Vadala-Roth, Ben Lee, Jae Ho Griffith, Boyce E. Department of Mathematics University of North Carolina Chapel HillNC United States U.S. Army Corps of Engineers Engineer Research and Development Center Coastal and Hydraulic Laboratory VicksburgMS United States Department of Mechanical Engineering Institute for Computational Medicine Johns Hopkins University BaltimoreMD United States Departments of Mathematics Applied Physical Sciences and Biomedical Engineering University of North Carolina Chapel HillNC United States Carolina Center for Interdisciplinary Applied Mathematics University of North Carolina Chapel HillNC United States Computational Medicine Program University of North Carolina Chapel HillNC United States McAllister Heart Institute University of North Carolina Chapel HillNC United States

The immersed finite element-finite difference (IFED) method is a computational approach to modeling interactions between a fluid and an immersed structure. The IFED method uses a finite element (FE) method to approximate the stresses and forces on a structural mesh and a finite difference (FD) method to approximate the momentum of the entire fluid-structure system on a Cartesian grid. The fundamental approach used by this method follows the immersed boundary framework for modeling fluid-structure interaction (FSI), in which a force spreading operator prolongs structural forces to a Cartesian grid, and a velocity interpolation operator restricts a velocity field defined on that grid back onto the structural mesh. With an FE structural mechanics framework, force spreading first requires that the force itself be projected onto the finite element space. Similarly, velocity interpolation requires projecting velocity data onto the FE basis functions. Consequently, evaluating either coupling operator requires solving a matrix equation at every time step. Mass lumping, in which the projection matrices are replaced by diagonal approximations, has the potential to accelerate this method considerably. This paper provides both numerical and computational analyses of the effects of this replacement for evaluating the force projection and for the IFED coupling operators. Constructing the coupling operators also requires determining the locations on the structure mesh where the forces and velocities are sampled. Here we show that sampling the forces and velocities at the nodes of the structural mesh is equivalent to using lumped mass matrices in the IFED coupling operators. A key theoretical result of our analysis is that if both of these approaches are used together, the IFED method permits the use of lumped mass matrices derived from nodal quadrature rules for any standard interpolatory element. This is different from standard FE methods, which require specialized treatments to

关键词： Fluid structure interaction

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Enhancing Stability and Performance in Perovskite Solar Cells Through Rationally Designed Phenanthro[9,10-D]Imidazole Derivatives for Tailored Interfacial engineering

SSRN

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SSRN 2024年

作者： Sun, Shih-Sheng Ramanujam, Rajarathinam Shi, Zhong-En Lung, Chien-Yu Li, Sie-Rong Wei, William Wu Wang, Chi-Chun Chen, Chih Ping Institute of Chemistry Academia Sinica Nankang Taipei11529 Taiwan Taiwan International Graduate Program Sustainable Chemical Science and Technology Academia Sinica Nankang Taipei11529 Taiwan Department of Applied Chemistry National Yang Ming Chiao Tung University Hsinchu30050 Taiwan Department of Materials Engineering Organic Electronics Research Center Ming Chi University of Technology 84 Gunjuan Road Taishan New Taipei City24301 Taiwan Taipei Fuhsing Private School 262 Section 1 Dun-Hua South Road Taipei Taiwan College of Engineering Center for Sustainability and Energy Technologies Chang Gung University Taoyuan City33302 Taiwan

Interfacial engineering techniques play a significant role in the development of perovskite solar cells (PSCs). In inverted PSCs, nickel oxide (NiOx) is commonly used as a hole transport material (HTM). The poor interactions at the NiOx/CH3NH3PbI3 (MAPbI3) interface contributed to the low stability and power conversion efficiency (PCE) in devices. To address this issue, dopant-free ultrathin interfacial layers (IFLs) have been introduced between the NiOx and perovskite. These IFLs enhance the chemical interaction between the NiOx and perovskite interfaces and result in improved device performance. Herein, T-shape phenanthro[9,10-d]imidazole derivatives, SR-1 and SR-2, were designed and synthesized. The SR-molecules were employed as IFL materials in p-i-n devices with a device configuration of ITO/NiOx/IFL/MAPbI3/PCBM/BCP/Ag. Notably, the IFLs serve multiple functions: modifying the energy levels of NiOx, improving the surface roughness and crystallinity of MAPbI3, passivating defects, enhancing charge extraction, and reducing trap density at the NiOx/MAPbI3 interface. As a result, the PCEs of both devices with SR-1 and SR-2 IFLs outperformed that of the pristine device. The best performance of 20.3% efficiency with nearly negligible hysteresis was achieved from the device with SR-1. The devices with SR-molecules achieved remarkable thermal stability under ambient air conditions and continuous heating at 60 °C with 50-60% relative humidity. © 2024, The Authors. All rights reserved.

关键词： Thermodynamic stability

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Plant-Zno Nanoparticles Interaction: An Approach to Improve Guinea Grass (Panicum Maximum) Productivity and Evaluation of the Impacts of its Ingestion by Freshwater Teleost Fish

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SSRN 2023年

作者： Gomes, Alex Rodrigues de Matos, Letícia Paiva Batista Guimarães, Abraão Tiago Freitas, Ítalo Nascimento da Luz, Thiarlen Marinho Silva, Abner Marcelino da Silva Matos, Stênio Gonçalves de Lima Rodrigues, Aline Sueli de Oliveira Ferreira, Raíssa Towfiqul Islam, Abu Reza Md. Rahman, Md. Mostafizur Ragavendran, Chinnasamy Kamaraj, Chinnaperumal Mubarak, Nabisab Mujawar Arias, Andrés Hugo Silva, Fabiano Guimarães Malafaia, Guilherme Laboratory of Toxicology Applied to the Environment Goiano Federal Institute GO Urutaí Brazil Post-Graduation Program in Ecology Conservation and Biodiversity Federal University of Uberlândia MG Uberlândia Brazil Post-Graduation Program in Agronomy Goiano Federal Institute Campus Rio Verde GO Brazil Post-Graduation Program in Conservation of Cerrado Natural Resources Goiano Federal Institute GO Urutaí Brazil Begum Rokeya University Department of Disaster Management Rangpur5404 Bangladesh Laboratory of Environmental Health and Ecotoxicology Department of Environmental Sciences Jahangirnagar University Dhaka1342 Bangladesh Chennai India Tamil Nadu Kattankulathur603203 India Petroleum and Chemical Engineering Faculty of Engineering Universiti Teknologi Brunei Bandar Seri Begawan Brunei DarussalamBE1410 Brunei Argentina Post-Graduation Program in Biotechnology and Biodiversity Federal University of Goiás GO Goiânia Brazil Brazil

We aimed to evaluate the possible effects of the application of ZnO NPs (in the substrate, at 100 and 500 mg/kg) in the cultivation of Panicum maximum (Guinea grass), using biometric, morphological, biochemical, and productivity biomarkers in addition to evaluating the uptake of Zn by the plants. Furthermore, we assessed the possible transfer of ZnO NPs from P. maximum leaves to zebrafish and their effects on the health of the animals. Plants cultivated in substrates enriched with ZnO NPs at 500 mg/kg showed a lower germination rate and affected germination and plant growth. However, P. maximum grown on substrate enriched with ZnO NPs (at 100 mg/kg) showed higher biomass and productivity, associated with higher Zn uptake, without inducing redox imbalance and nitrosative stress. PCA analysis and cluster analysis confirmed the differential performance of the crop in substrate containing ZnO NPs at 100 mg/kg. Zinc content in zebrafish was not associated with ingesting leaves of P. maximum in substrate containing ZnCl2 or ZnO NPs or with genotoxic, mutagenic, and biochemical effects. In conclusion, ZnO NPs (at 100 mg/kg) are promising in the cultivation of P. maximum, and their ingestion by zebrafish did not cause significant ecotoxicological effects from the evaluated biomarkers. © 2023, The Authors. All rights reserved.

关键词： II-VI semiconductors

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Bayesian quantum phase estimation with fixed photon states

arXiv

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arXiv 2023年

作者： Zhou, Boyu Guha, Saikat Gagatsos, Christos N. Department of Physics The University of Arizona 1118 E 4th St TucsonAZ85721 United States Department of Electrical and Computer Engineering University of Maryland 2410 A.V. Williams Building College ParkMD20742 United States Wyant College of Optical Sciences The University of Arizona 1630 E University Blvd TucsonAZ85721 United States Department of Electrical and Computer Engineering The University of Arizona 1230 E Speedway Blvd TucsonAZ85721 United States Program in Applied Mathematics The University of Arizona 617 N. Santa Rita TucsonAZ85721 United States

We consider a two-mode bosonic state with fixed photon number n ∈ N, whose upper and lower modes pick up a phase and − respectively. We compute the optimal Fock coefficients of the input state, such that the mean square error (MSE) for estimating is minimized while the minimum MSE is always attainable by a measurement. Our setting is Bayesian, i.e., we consider to be a random variable that follows a prior probability distribution function (PDF). Initially, we consider the flat prior PDF and we discuss the well-known fact that the MSE is not an informative tool for estimating a phase when the variance of the prior PDF is large. Therefore, we move on to study truncated versions of the flat prior in both single-shot and adaptive approaches. For our adaptive technique we consider n = 1 and truncated prior PDFs. Each subsequent step utilizes as prior PDF the posterior probability of the previous step and at the same time we update the optimal state and optimal measurement. Copyright © 2023, The Authors. All rights reserved.

关键词： Distribution functions

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Structured time-delay models for dynamical systems with connections to Frenet-Serret frame

arXiv

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arXiv 2021年

作者： Hirsh, Seth M. Ichinaga, Sara M. Brunton, Steven L. Kutz, J. Nathan Brunton, Bingni W. Department of Physics University of Washington SeattleWA United States Applied and Computational Mathematical Sciences Program University of Washington SeattleWA United States Department of Mechanical Engineering University of Washington SeattleWA United States Department of Applied Mathematics University of Washington SeattleWA United States Department of Biology University of Washington SeattleWA United States

Time-delay embeddings and dimensionality reduction are powerful techniques for discovering effective coordinate systems to represent the dynamics of physical systems. Recently, it has been shown that models identified by dynamic mode decomposition (DMD) on time-delay coordinates provide linear representations of strongly nonlinear systems, in the so-called Hankel alternative view of Koopman (HAVOK) approach. Curiously, the resulting linear model has a matrix representation that is approximately antisymmetric and tridiagonal with a zero diagonal;for chaotic systems, there is an additional forcing term in the last component. In this paper, we establish a new theoretical connection between HAVOK and the Frenet-Serret frame from differential geometry, and also develop an improved algorithm to identify more stable and accurate models from less data. In particular, we show that the sub- and super-diagonal entries of the linear model correspond to the intrinsic curvatures in Frenet-Serret frame. Based on this connection, we modify the algorithm to promote this antisymmetric structure, even in the noisy, low-data limit. We demonstrate this improved modeling procedure on data from several nonlinear synthetic and real-world examples. © 2021, CC BY.

关键词： Time delay

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Manifestations of metastable criticality in the long-range structure of model water glasses

arXiv

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arXiv 2021年

作者： Gartner, Thomas E. Torquato, Salvatore Car, Roberto Debenedetti, Pablo G. Department of Chemistry Princeton University PrincetonNJ United States Department of Physics Princeton University PrincetonNJ United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Princeton Institute for the Science and Technology of Materials Princeton University PrincetonNJ United States Department of Chemical and Biological Engineering Princeton University PrincetonNJ United States

Much attention has been devoted to water’s metastable phase behavior, including polyamorphism (multiple amorphous solid phases), and the hypothesized liquid-liquid transition and associated critical point. However, the possible relationship between these phenomena remains incompletely understood. Using molecular dynamics simulations of the realistic TIP4P/2005 model, we found a striking signature of the liquid-liquid critical point in the structure of water glasses, manifested as a pronounced increase in long-range density fluctuations at pressures proximate to the critical pressure. By contrast, these signatures were absent in glasses of two model systems that lack a critical point. We also characterized the departure from equilibrium upon vitrification via the non-equilibrium index;water-like systems exhibited a strong pressure dependence in this metric, whereas simple liquids did not. These results reflect a surprising relationship between the metastable equilibrium phenomenon of liquid-liquid criticality and the non-equilibrium structure of glassy water, with implications for our understanding of water phase behavior and glass physics. Our calculations suggest a possible experimental route to probing the existence of the liquid-liquid transition in water and other fluids. © 2021, CC BY.

关键词： Criticality (nuclear fission)

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Simulation of NMPC for a Laboratory Adiabatic CSTR with an Exothermic Reaction 18

Simulation of NMPC for a Laboratory Adiabatic CSTR with an E...

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18th European Control Conference, ECC 2020

作者： Jorgensen, John Bagterp Ritschel, Tobias K. S. Boiroux, Dimitri Schroll-Fleischer, Eskild Wahlgreen, Morten Ryberg Krogh Nielsen, Marcus Wu, Hao Huusom, Jakob Kjobsted Technical University of Denmark Department of Applied Mathematics and Computer Science LyngbyDK-2800 Kgs. Denmark 2-control ApS LyngbyDK-2800 Kgs. Denmark Department of Chemical and Biochemical Engineering Technical University of Denmark LyngbyDK-2800 Kgs. Denmark

ISBN: (纸本)9783907144015

In this paper, we present nonlinear system identification and nonlinear model predictive control (NMPC) for a laboratory-scale adiabatic continuous stirred tank reactor (CSTR) with an exothermic reaction. We describe the equipment used in the process, and we present a process model based on first principles. We use a maximum likelihood estimation (MLE) approach based on the process model and the continuous-discrete extended Kalman filter (CD-EKF) to estimate four model parameters. The NMPC is based on the process model (with the estimated model parameters), the CD-EKF, and a nonlinear least-squares regulator with input (Tikhonov) and rate-of-movement regularization. We present simulations demonstrating that the NMPC (implemented in Python and C) can track any stable and unstable steady state for this system with multiple steady states in some operational regions. © 2020 EUCA.

关键词： Parameter estimation

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Outcoupling Hyperbolic Modes from Aligned Carbon Nanotube Films

Outcoupling Hyperbolic Modes from Aligned Carbon Nanotube Fi...

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Conference on Lasers and Electro-Optics (CLEO)

作者： Bryant Jerome Ciril S. Prasad Jacques Doumani Oliver S. Dewey Andrey Baydin Matteo Pasquali Junichiro Kono Weilu Gao Alessandro Alabastri Gururaj V. Naik Department of Electrical and Computer Engineering Rice University Houston TX USA Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston TX USA Department of Chemical and Biomolecular Engineering Rice University Houston TX USA Smalley-Curl Institute Rice University Houston TX USA Department of Chemistry Rice University Houston TX USA Department of Materials Science and NanoEngineering Rice University Houston TX USA Department of Physics and Astronomy Rice University Houston TX USA Department of Electrical and Computer Engineering University of Utah Salt Lake City UT USA

Aligned carbon nanotube films make an excellent hyperbolic material plat-form in the infrared. Here, we experimentally demonstrate the presence of high-k modes in aligned carbon nanotube films and outcouple them to fr... 详细信息

ISBN: (数字)9781957171050

ISBN: (纸本)9781665466660

关键词： Films Carbon nanotubes Lasers and electrooptics Laser modes High-k dielectric materials Gratings Laser applications

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Manipulation of the nanoscale heliconical structure of a twist-bend nematic material with polarized light

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Physical Review Research 2020年第3期2卷 032004(R)-032004(R)页

作者： C. Feng J. Feng R. Saha Y. Arakawa J. Gleeson S. Sprunt C. Zhu A. Jákli Chemical Physics Interdisciplinary Program Advanced Materials and Liquid Crystal Institute Kent State University Kent Ohio 44242 USA Advanced Light Source Lawrence Berkeley National Lab Berkeley California 94720 USA Department of Physics Kent State University Kent Ohio 44242 USA Department of Applied Chemistry and Life Science Graduate School of Engineering Toyohashi University of Technology Toyohashi 441-8580 Japan

The effect of polarized violet light on the alignment and the heliconical pitch of a liquid crystal dimer containing both sulfur atoms and an azo linkage has been studied by tender resonant x-ray scattering. The results provide evidence of the manipulation of the nanoscale heliconical structure by polarized light. In addition to the bulk alignment of the heliconical nanostructure, the value of the heliconical pitch can be varied as well. After turning the light on, an increase of the pitch is observed in two steps. The increase with a subsecond timescale is attributed to the reduced heliconical order related to trans-cis photoisomerization. This is followed by a smaller increase over a 10-s timescale, which is likely related to the annihilation of defects. After turning the light off, the pitch first decreases within a few seconds to a value larger than the original (before illumination), and then relaxes further on a much longer (hours) timescale.

关键词： Chiral symmetry Dynamical phase transitions Twist deformation

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