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Translation of a sphere towards a rigid plane in an Oldroyd-B fluid

Physical Review Fluids 2024年第8期9卷 083303页

作者： Tachin Ruangkriengsin Rodolfo Brandão Bimalendu Mahapatra Evgeniy Boyko Howard A. Stone Program in Applied and Computational Mathematics Department of Mechanical and Aerospace Engineering Faculty of Mechanical Engineering

We analyze the low-Reynolds-number translation of a sphere towards or away from a rigid plane in an Oldroyd-B fluid under two scenarios: prescribing the sphere's translational velocity, and prescribing the force on the sphere. Leveraging the lubrication approximation and a perturbation expansion in powers of the Deborah number, we develop a comprehensive theoretical analysis that yields analytical approximations for velocity fields, pressures, and forces acting on the sphere. Our framework aids in understanding temporal microstructural changes as the particle-wall gap evolves over time. In particular, we show that alterations in the polymer conformation tensor in response to geometric changes induce additional forces on the sphere. For cases with prescribed velocity, we present a theoretical approach for calculating resistive forces at any order in the Deborah number and utilize a reciprocal theorem to obtain higher-order corrections based on velocity fields in the previous orders. When the sphere translates with a constant velocity, the fluid viscoelasticity decreases the resistive force at the first order. However, at the second-order correction, the direction of the sphere's movement determines whether viscoelasticity increases or decreases the resistive force. For cases with prescribed force, we show that understanding the influence of viscoelasticity on the sphere's translational velocity necessitates a more intricate analysis even at low Deborah numbers. Specifically, we introduce an ansatz for constant force scenarios, and we derive solution forms for general prescribed forces using the method of multiple scales. We find that when a sphere undergoes sedimentation due to its own weight, the fluid viscoelasticity results in a slower settling process, reducing the leading-order sedimentation rate.

关键词： Complex fluids Low Reynolds number flows Lubrication theory Polymer conformation changes Rheology

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Our Role in Solving Global Challenges: An Opinion

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JOURNAL OF THE AMERICAN chemical SOCIETY 2024年第31期146卷 21193-21195页

作者： Carter, Emily A. Department of Mechanical and Aerospace Engineering Program in Applied and Computational Mathematics and the Andlinger Center for Energy and the Environment Princeton University Princeton New Jersey 08544-5263 United States Princeton Plasma Physics Laboratory Princeton New Jersey 08540-6655 United States

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Semi-analytical finite element method applied for characterizing micropolar fibrous composites

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applied mathematics and Mechanics(English Edition) 2024年第12期45卷 2147-2164页

作者： J.A.OTERO Y.ESPINOSA-ALMEYDA R.RODRIGUEZ-RAMOS J.MERODIO School of Engineering and Sciences Monterrey Institute of TechnologyEstado de Mexico 52926Mexico Institute of Engineering and Technology Autonomous University of Ciudad JuarezCiudad JuarezChihuahua 32310Mexico Postgraduate Program in Computational Modeling in Science and Technology Federal Fluminense UniversityRıo de Janeiro 27255-125Brazil Faculty of Mathematics and Computer Science University of HavanaLa Habana 10400Cuba Department of Mathematics Applied to ICT School of Informatics Systems EngineeringTechnical University of MadridMadrid 28031Spain

A semi-analytical finite element method(SAFEM),based on the two-scale asymptotic homogenization method(AHM)and the finite element method(FEM),is implemented to obtain the effective properties of two-phase fiber-reinforced composites(FRCs).The fibers are periodically distributed and unidirectionally aligned in a homogeneous *** framework addresses the static linear elastic micropolar problem through partial differential equations,subject to boundary conditions and perfect interface contact *** mathematical formulation of the local problems and the effective coefficients are presented by the *** local problems obtained from the AHM are solved by the FEM,which is denoted as the *** numerical results are provided,and the accuracy of the solutions is analyzed,indicating that the formulas and results obtained with the SAFEM may serve as the reference points for validating the outcomes of experimental and numerical computations.

关键词： semi-analytical approach fiber-reinforced composite(FRC) effective property finite element method(FEM) asymptotic homogenization method(AHM) micropolar elasticity

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An Iterative Thresholding Method for the Minimum Compliance Problem

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Communications in computational Physics 2023年第4期33卷 1189-1216页

作者： Luyu Cen Wei Hu Dong Wang Xiaoping Wang Department of Mathematics Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina The Program in Applied and Computational Mathematics Princeton UniversityPrincetonNew JerseyUSA School of Science and Engineering The Chinese University of Hong KongShenzhenGuangdong 518172China Shenzhen International Center for Industrial and Applied Mathematics Shenzhen Research Institute of Big DataGuangdong 518172China

In this paper,we propose a simple energy decaying iterative thresholding algorithm to solve the two-phase minimum compliance *** material domain is implicitly represented by its characteristic function,and the problem is formulated into a minimization problem by the principle of minimum complementary *** prove that the energy is decreasing in each *** effective continuation schemes are proposed to avoid trapping into the local *** results on 2D isotropic linear material demonstrate the effectiveness of the proposed methods.

关键词： Minimum compliance convolution thresholding linear elasticity

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LATTICE-VALUED BOTTLENECK DUALITY

arXiv

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arXiv 2024年

作者： Ghrist, Robert Gould, Julian Lopez, Miguel Department of Mathematics Department of Electrical & Systems Engineering and Program in Applied Mathematics & Computational Science University of Pennsylvania United States

This note reformulates certain classical combinatorial duality theorems in the context of order lattices. For source-target networks, we generalize bottleneck path-cut and flow-cut duality results to edges with capacities in a distributive lattice. For posets, we generalize a bottleneck version of Dilworth’s theorem, again weighted in a distributive lattice. These results are applicable to a wide array of non-numerical network flow problems, as shown. All results, proofs, and applications were created in collaboration with AI language models. An appendix documents their role and *** Codes 06D05, 90C35, 06A07 © 2024, CC BY.

关键词： Combinatorial optimization

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MEAN FIELD GAMES WITH COMMON NOISE VIA MALLIAVIN CALCULUS

arXiv

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arXiv 2024年

作者： Tangpi, Ludovic Wang, Shichun Princeton University Department of Operations Research and Financial Engineering and Program in Computational and Applied Mathematics United States

We present a simpler proof of the existence of equilibria for a class of mean field games with common noise, where players interact through the conditional law given the current value of the common noise rather than its entire path. By extending a compactness criterion for Malliavin-differentiable random variables to processes, we establish existence of strong equilibria, where the conditional law and optimal control are adapted to the common noise filtration and defined on the original probability space. Notably, our approach only requires measurability of the drift and cost functionals with respect to the state *** Codes 91A16, 60H07 Copyright © 2024, The Authors. All rights reserved.

关键词： Cost functions

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Inferring System and Optimal Control Parameters of Closed-Loop Systems from Partial Observations 63

Inferring System and Optimal Control Parameters of Closed-Lo...

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63rd IEEE Conference on Decision and Control, CDC 2024

作者： Geadah, Victor Arbelaiz, Juncal Ritz, Harrison Daw, Nathaniel D. Cohen, Jonathan D. Pillow, Jonathan W. Princeton University Department of Mechanical and Aerospace Engineering PrincetonNJ United States Princeton University Program in Applied and Computational Mathematics PrincetonNJ United States Princeton Neuroscience Institute Princeton University PrincetonNJ United States

ISBN: (纸本)9798350316339

We consider the joint problem of system identification and inverse optimal control for discrete-time stochastic Linear Quadratic Regulators. We analyze finite and infinite time horizons in a partially observed setting, where the state is observed noisily. To recover closed-loop system parameters, we develop inference methods based on probabilistic statespace model (SSM) techniques. First, we show that the system parameters exhibit non-identifiability in the infinite-horizon from closed-loop measurements, and we provide exact and numerical methods to disentangle the parameters. Second, to improve parameter identifiability, we show that we can further enhance recovery by either (1) incorporating additional partial measurements of the control signals or (2) moving to the finitehorizon setting. We further illustrate the performance of our methodology through numerical examples. © 2024 IEEE.

关键词： Stochastic systems

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DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials

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Journal of Physical Chemistry A 2022年第49期126卷 9154-9164页

作者： Li, Wenfei Ou, Qi Chen, Yixiao Cao, Yu Liu, Renxi Zhang, Chunyi Zheng, Daye Cai, Chun Wu, Xifan Wang, Han Chen, Mohan Zhang, Linfeng AI for Science Institute Beijing100080 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States HEDPS CAPT College of Engineering School of Physics Peking University Beijing100871 China Department of Physics Temple University PhiladelphiaPA19122 United States Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Huayuan Road 6 Beijing100088 China DP Technology Beijing100080 China

Recently, the development of machine learning (ML) potentials has made it possible to perform large-scale and long-time molecular simulations with the accuracy of quantum mechanical (QM) models. However, for different levels of QM methods, such as density functional theory (DFT) at the meta-GGA level and/or with exact exchange, quantum Monte Carlo, etc., generating a sufficient amount of data for training an ML potential has remained computationally challenging due to their high cost. In this work, we demonstrate that this issue can be largely alleviated with Deep Kohn-Sham (DeePKS), an ML-based DFT model. DeePKS employs a computationally efficient neural network-based functional model to construct a correction term added upon a cheap DFT model. Upon training, DeePKS offers closely matched energies and forces compared with high-level QM method, but the number of training data required is orders of magnitude less than that required for training a reliable ML potential. As such, DeePKS can serve as a bridge between expensive QM models and ML potentials: one can generate a decent amount of high-accuracy QM data to train a DeePKS model and then use the DeePKS model to label a much larger amount of configurations to train an ML potential. This scheme for periodic systems is implemented in a DFT package ABACUS, which is open source and ready for use in various applications. © 2022 The Journal of Physical Chemistry A. All right reserved.

关键词： Density functional theory

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Synergetic effects of multiple junction and surface hydroxyl in Cu/CuO/Cu2O/TiO2 heterostructures towards highly efficient photocatalysts for hydrogen generation

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Materials Science for Energy Technologies 2025年 8卷 131-142页

作者： Subagyo, Riki Anindika, Garcelina Rizky Aufkani, Afif Akmal Zhang, Lei Ardhyananta, Hosta Burhan, R.Y. Perry Nugraheni, Zjahra Vianita Akhlus, Syafsir Bahruji, Hasliza Prasetyoko, Didik Wellia, Diana Vanda Ivansyah, Atthar Luqman Arramel Kusumawati, Yuly Department of Chemistry Faculty of Science and Analytic Data Institut Teknologi Sepuluh Nopember Surabaya60111 Indonesia Center of Excellence Applied Physics and Chemistry Nano Center Indonesia Jl PUSPIPTEK South Tangerang Banten15314 Indonesia Department of Physics National University of Singapore Singapore117551 Singapore Department of Materials and Metallurgical Engineering Faculty of Industrial Technology and Systems Engineering Institut Teknologi Sepuluh Nopember Surabaya60111 Indonesia Centre of Advanced Material and Energy Science Universiti Brunei Darussalam Jalan Tungku Link BE 1410 Brunei Department of Chemistry Faculty of Mathematics and Natural Sciences Universitas Andalas Padang25163 Indonesia Master Program in Computational Science Faculty of Mathematics and Natural Science Institut Teknologi Bandung Jalan Ganesha No. 10 Bandung40132 Indonesia Instrumentation and Computational Physics Research Group Department of Physics Faculty of Mathematics and Natural Sciences Institut Teknologi Bandung Jalan Ganesha No.10 West Java Bandung40132 Indonesia

The implementation of titanium dioxide (TiO2) as a photocatalyst material in hydrogen (H2) evolution reaction (HER) has embarked renewed interest in the past decade. Rapid electron-hole pairs recombination and wide band gap of a photo-sensitive material of TiO2 are detrimental toward the targeted catalytical reaction. In this study, we present the rational design, fabrication, photocatalytic performance of TiO2-Cu/CuO/Cu2O heterostructures (CuTi) using viable chemical reduction method. The Z-scheme and S-scheme are succesfully generated across the TiO2/CuO/Cu2O interfaces, while the Schottky junction arises on the Cu perimeters. This is evidenced from the blue shifted about 0.3 eV of Cu 2p core level determined by using X-ray photoemission spectroscopy (XPS), in combination with the formation of inverse V-shape of the Mott-Schottky plots. In addition, we find that Cu/CuO/Cu2O facilitates photon absorption range up to the visible region. The multiple heterojunction and the large number of OHsurface enhanced charge carrier transfer are associated to the suppression of photoluminescence (PL) intensity, high surface hydroxyl (OHsurface) density in CuTi probed by XPS, and fast electron transfer based on the electrochemical measurements. The presence of OHsurface inhibits the recombination of electron. A significant H2 photogeneration rate enhancement is achieved when an optimized 5 wt% Cu/CuO/Cu2O concentration is used on TiO2 to achieve 7,157.19 μmol·g−1 (1,789.30 μmol·g−1·h−1). Based on this finding, zero emission energy innitiative could be materialized under multiple heterojunctions in photocatalytic process is beneficial for enhancing the H2 production. © 2025 The Authors

关键词： Titanium dioxide

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Revealing Actual Viscoelastic Relaxation Times in Capillary Breakup

arXiv

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arXiv 2025年

作者： Hu, Nan Hwang, Jonghyun Ruangkriengsin, Tachin Stone, Howard A. Department of Mechanical and Aerospace Engineering Princeton University NJ08544 United States Program in Applied and Computational Mathematics Princeton University NJ08544 United States

We use experiments and theory to elucidate the size effect in capillary breakup rheometry, where pre-stretching in the visco-capillary stage causes the apparent relaxation time to be consistently smaller than the actual value. We propose a method accounting for both the experimental size and the finite extensibility of polymers to extract the actual relaxation time. A phase diagram characterizes the expected measurement variability and delineates scaling law conditions. The results refine capillary breakup rheometry for viscoelastic fluids and advance the understanding of breakup dynamics across scales. Copyright © 2025, The Authors. All rights reserved.

关键词： Relaxation time

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