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arXiv 2024年

作者： Zheng, Yitong Wang, Dong Beeghly, Garrett Fischbach, Claudia Shattuck, Mark D. O’Hern, Corey S. Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Nancy E. and Peter C. Meinig School of Biomedical Engineering Cornell University IthacaNY14853 United States Benjamin Levich Institute Physics Department City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States

Breast cancer invasion into adipose tissue strongly influences disease progression and metastasis. The degree of cancer cell invasion into adipose tissue depends on numerous biochemical and physical properties of cancer cells, adipocytes, and other key components of adipose tissue. We model breast cancer invasion into adipose tissue as a physical process by carrying out simulations of active, cohesive spherical particles (cancer cells) invading into confluent packings of deformable polyhedra (adipocytes). We quantify the degree of invasion by calculating the interfacial area At between cancer cells and adipocytes. We determine the long-time value of At versus the activity and strength of the cohesion between cancer cells, as well as mechanical properties of the adipocytes and extracellular matrix (ECM) in which the adipocytes are embedded. We show that the degree of invasion collapses onto a master curve by plotting it versus a dimensionless energy scale Ec, which grows linearly with mean-square fluctuations and persistence time of the cancer cell velocities, is inversely proportional to the pressure of the system, and has an offset that increases with the cancer cell cohesive energy. The condition, Ec 1, indicates that cancer cells will invade the adipose tissue, whereas for Ec 1, the cancer cells and adipocytes remain demixed. We also show that constraints on adipocyte positions by the ECM decrease At relative to that obtained for unconstrained adipocytes. Finally, spatial heterogeneity in structural and mechanical properties of the adipocytes in the presence of ECM impedes invasion relative to adipose tissue with uniform properties. © 2024, CC BY-NC-ND.

关键词： Cancer cells

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Optimal Planning of Hybrid Energy Storage Systems using Curtailed Renewable Energy through Deep Reinforcement Learning

arXiv

引用

arXiv 2022年

作者： Kang, Dongju Kang, Doeun Hwangbo, Sumin Niaz, Haider Lee, Won Bo Liu, J. Jay Na, Jonggeol School of Chemical and Biological Engineering Seoul National University Gwanak-ro 1 Gwanak-gu Seoul08826 Korea Republic of Department of Chemical Engineering and Materials Science Ewha Womans University Seoul03760 Korea Republic of Graduate Program in System Health Science and Engineering Ewha Womans University Seoul03760 Korea Republic of Department of Chemical Engineering Pukyong National University Busan48513 Korea Republic of

Energy management systems (EMS) are becoming increasingly important in order to utilize the continuously growing curtailed renewable energy. Promising energy storage systems (ESS), such as batteries and green hydrogen should be employed to maximize the efficiency of energy stakeholders. However, optimal decision-making, i.e., planning the leveraging between different strategies, is confronted with the complexity and uncertainties of large-scale problems. Here, we propose a sophisticated deep reinforcement learning (DRL) methodology with a policy-based algorithm to realize the real-time optimal ESS planning under the curtailed renewable energy uncertainty. A quantitative performance comparison proved that the DRL agent outperforms the scenario-based stochastic optimization (SO) algorithm, even with a wide action and observation space. Owing to the uncertainty rejection capability of the DRL, we could confirm a robust performance, under a large uncertainty of the curtailed renewable energy, with a maximizing net profit and stable system. Action-mapping was performed for visually assessing the action taken by the DRL agent according to the state. The corresponding results confirmed that the DRL agent learns the way like what a human expert would do, suggesting reliable application of the proposed methodology. Copyright © 2022, The Authors. All rights reserved.

关键词： Reinforcement learning

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Zwitterionic modified and freeze-thaw reinforced foldable hydrogel as intraocular lens for posterior capsule opacification prevention

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Biomaterials 2024年 309卷 122593-122593页

作者： Yang, Cheng-Jui Huang, Wei-Lun Yang, Yu Kuan, Chen-Hsiang Tseng, Ching-Li Wang, Tzu-Wei Department of Materials Science and Engineering National Tsing Hua University Hsinchu Taiwan Department of Ophthalmology National Taiwan University Hospital Hsin-Cchu Branch Hsinchu Taiwan Interdisciplinary Program of Life Science and Medicine National Tsing Hua University Hsinchu Taiwan Division of Plastic Surgery Department of Surgery National Taiwan University Hospital Taipei Taiwan Graduate Institute of Clinical Medicine College of Medicine National Taiwan University Taipei Taiwan Research Center for Developmental Biology and Regenerative Medicine National Taiwan University Taipei Taiwan Graduate Institute of Biomedical Materials and Tissue Engineering Taipei Medical University Taipei Taiwan

Posterior capsule opacification (PCO) is a predominant postoperative complication, often leading to visual impairment due to the aberrant proliferation and adhesion of lens epithelial cells (LECs) and protein precipitates subsequent to intraocular lens (IOL) implantation. To address this clinical issue, a foldable and antifouling sharp-edged IOL implant based on naturally-derived cellulose hydrogel is synthesized. The mechanical strength and transparency of the hydrogel is enhanced via repeated freeze-thaw (FT) cycles. The incorporated zwitterionic modifications can remarkably prevent the incidence of PCO by exhibiting proteins repulsion and cell anti-adhesion properties. The graft of dopamine onto both the haptic and the periphery of the posterior surface ensures the adhesion of the hydrogel to the posterior capsule and impedes the migration of LECs without compromising transparency. In in vivo study, the zwitterionic modified foldable hydrogel exhibits uveal and capsular biocompatibility synchronously with no signs of inflammatory response and prevent PCO formation, better than that of commercialized and PEG-modified IOL. With foldability, endurability, antifouling effect, and adhesive to posterior capsule, the reported hydrogel featuring heterogeneous surface design displays great potential to eradicate PCO and attain post-operative efficacy after cataract surgery. © 2024 Elsevier Ltd

关键词： Hydrogels

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Hybridization of colloidal handlebodies with singular defects and topological solitons in chiral liquid crystals

arXiv

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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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Estimation of the main air pollutants from different biomasses under combustion atmospheres by artificial neural networks

引用

Chemosphere 2024年 352卷 141484页

作者： Monteiro, Thalyssa Oliveira Alves, Pedro Augusto Araújo da Silva de Almeida Nava Barradas Filho, Alex Oliveira Villa-Vélez, Harvey Alexander Cruz, Glauber Postgraduate Program in Mechanical Engineering (PPGMEC) Department of Mechanics and Materials Federal Institute of Education Science and Technology of Maranhão (IFMA) Maranhão São Luís Brazil Postgraduate Program in Computer Science and Computational Mathematics (PPG-CCMC) Department of Computer Science University of São Paulo (USP) São Carlos São Paulo Brazil Data Analysis and Artificial Intelligence Laboratory (DARTi) Department of Computational Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Department of Chemical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Processes and Thermal Systems Laboratory (LPSisTer) Department of Mechanical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO2, NOx, SOx, and other pollutants), affecting living organisms and requiring careful assessments. H... 详细信息

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO₂, NO_x, SO_x, and other pollutants), affecting living organisms and requiring careful assessments. However, obtaining such information experimentally for data evaluation is costly and time-consuming and its in situ obtaining for regional biomasses (e.g., those from Northeast Brazil (NEB) is still a major challenge. This paper reports on the application of artificial neural networks (ANNs) for the prediction of the main air pollutants (CO, CO₂, NO, and SO₂) produced during the direct biomass combustion (N₂/O₂:80/20%) with the use of ultimate analysis (carbon, hydrogen, nitrogen, sulfur, and oxygen). 116 worldwide biomasses were used as input data, which is a relevant alternative to overcome the lack of experimental resources in NEB and obtain such information. Cross-validation was conducted with k-fold to optimize the ANNs and performance was analyzed with the use of statistical errors for accuracy assessments. The results showed an acceptable statistical performance for all architectures of ANNs, with 0.001–12.41% MAPE, 0.001–5.82 mg Nm⁻³ MAE, and 0.03–52.30 mg Nm⁻³ RMSE, highlighting the high precision of the emissions studied. On average, the differences between predicted and real values for CO, CO₂, NO, and SO₂ emissions from NEB biomasses were approximately 0.01%, 10⁻⁶%, 0.14%, and 0.05%, respectively. Pearson coefficient provided consistent results of concentration of the ultimate analysis in relation to the emissions studied and effectiveness of the test set in the developed models. © 2024 Elsevier Ltd

关键词： Brazilian northeastern Environmental statistics Evaluation metrics Gaseous emissions Predictive models Thermoconversion

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Investigation of a novel biocide material for biocorrosion in simulated seawater: A case study on Tinospora cordifolia extract

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Case Studies in Chemical and Environmental engineering 2024年 10卷

作者： Royani, Ahmad Hanafi, Muhammad Aigbodion, Victor Sunday Prastya, Muhammad Eka Verma, Chandrabhan Mubarak, Nabisab Mujawar Alfantazi, Akram Manaf, Azwar Research Center for Metallurgy National Research and Innovation Agency – BRIN Kawasan Puspiptek Banten Tangerang Selatan 15314 Indonesia Postgraduate Program of Materials Science Study Department of Physics Faculty of Mathematics and Natural Sciences Universitas Indonesia Depok 16424 Indonesia Research Center for Pharmaceutical Ingredients and Traditional Medicine National Research and Innovation Agency – BRIN Kawasan Puspiptek Banten Tangerang Selatan 15314 Indonesia Department of Metallurgical and Materials Engineering University of Nigeria Nsukka 410001 Nigeria Department of Chemical and Petroleum Engineering Khalifa University of Science and Technology P.O. Box 127788 Abu Dhabi United Arab Emirates Petroleum and Chemical Engineering Faculty of Engineering Universiti Teknologi Brunei Bandar Seri Begawan BE1410 Brunei Darussalam Department of Biosciences Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences Chennai India

This case report investigates the preventive effect of Tinospora cordifolia extract on biocorrosion induced by Pseudomonas aeruginosa on mild steel API 5L in the simulated seawater medium. Electrochemical techniques, spectroscopic techniques, and surface analysis were employed to investigate biocide performance and corrosion behavior. P. aeruginosa has been shown to enhance iron dissolution in seawater medium. These findings point to the role of P. aeruginosa bacteria in forming differential oxygen, which causes corrosion. Morphology results from atomic Fourier microscopy (AFM) highlight the presence of P. aeruginosa in biotic environments, where the surface is rougher than in abiotic conditions. On the other hand, adding T. cordifolia to the biotic medium resulted in a smoother and more homogeneous surface without any significant deterioration. Electrochemical findings reveal that adding 300 mg L⁻¹ of T. cordifolia extract prevents the microbiologically influenced corrosion (MIC) of steel API 5L, with an optimum effectiveness value of 74.50 % after 21 days of incubation. This protective effect is caused by forming a more compact iron oxide surface layer and the adsorption of phenolic active compounds such as Moupinamide and others on the surface of mild steel API 5L, as detected by liquid chromatography-mass/spectrometry-mass spectrometry (LCMS-MS), Fourier-transform infrared spectroscopy (FTIR) and field emission scanning electron microscopy (FE-SEM) techniques. © 2024 The Authors

关键词： Bio-corrosion Biofilm Green biocide Plant extract Pseudomonas aeruginosa Tinospora cordifolia

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Decoupling mechanical and chemical effects on energetics of coherent nanoprecipitates with interfacial segregation

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Scripta Materialia 2024年 250卷

作者： Chiu, Yu-ning Yen, Shao-yu Yu, Chung-yi Lin, Shih-kang Department of Materials Science and Engineering National Cheng Kung University Tainan70101 Taiwan Aluminum Prod R&D Section New Materials R&D Department Kaohsiung81233 Taiwan Research Center National Cheng Kung University Tainan70101 Taiwan Program on Smart and Sustainable Manufacturing Academy of Innovative Semiconductor and Sustainable Manufacturing National Cheng Kung University Tainan70101 Taiwan Core Facility Center National Cheng Kung University Tainan70101 Taiwan

Interfacial energetics for coherent interfaces are typically calculated using two key concepts: interfacial energy and coherency strain energy. Although these calculations are well-established in pristine systems, their direct application to doped systems often leads to inaccuracies. This is primarily because foreign solute atoms not only modify interfacial energetics but also introduce additional mechanical and chemical effects within the bulk phases. To address this, our study employs the PSTRESS tag in VASP to simulate equivalent lattice stresses induced by solute atoms without physically incorporating them. This novel approach allows us to isolate the doping energy caused by the solute atoms’ mechanical and chemical effects, thereby enhancing our understanding of the impacts of dopants solely on interfacial energetics. Furthermore, we extend the calculations of interfacial energy and coherency strain energy to doped interfaces, providing a precise and effective evaluation method for both bulk and interfacial energetics in doped systems. © 2024 Acta Materialia Inc.

关键词： Interfacial energy

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Molecular Insights into the Structure-Property Relationships of 3d Printed Polyamide Reverse-Osmosis Membrane for Desalination

SSRN

引用

SSRN 2022年

作者： He, Jinlong Yang, Jason McCutcheon, Jeffrey R. Li, Ying Department of Mechanical Engineering University of Connecticut StorrsCT06269 United States Division of Chemistry and Chemical Engineering California Institute of Technology PasadenaCA91125 United States Department of Chemical & Biomolecular Engineering Center for Environmental Sciences and Engineering University of Connecticut StorrsCT06269 United States Department of Mechanical Engineering Polymer Program Institute of Materials Science University of Connecticut StorrsCT06269 United States

3D-printing is an emerging method for manufacturing polyamide (PA) reserve osmosis (RO) membranes for water treatment and desalination, which can precisely control membrane structural properties, such as thickness, roughness, and resolution. However, the synthesis-structure (i.e., degree of cross-linking (DC), m-phenylenediamine/trimesoyl chloride (MPD/TMC) ratio, and membrane thickness) to property (permeability and water-salt selectivity) relationships for these membranes has not been well understood. At the same time, a microscopic understanding of the physical mechanism of water and salt transport is needed to guide the design of high-performance 3D-printed membranes and improve printing efficiency. Thus, the atomic-scale transport features and energetics of water and salt ions are studied at high pressure for the 3D-printed PA RO membranes with the different DCs and MPD/TMC ratios through non-equilibrium molecular dynamics (NEMD) simulations. Factoring in membrane structure properties, rejection ratio of salt ions and pressure-dependent water flux, 3D-printed PA membranes having an MPD/TMC ratio of 3.0:2.0 and a DC between 80%~90% attains ideal performance: high water flux, high rejection of salt ions, and excellent structural integrity. Mechanistically, water permeability for highly cross-linked PA RO membranes depends on the temporary on-and-off channels that allow water molecules to jump from one cavity to another at high pressure. In addition, higher pressures cause a rapid compaction of PA membranes’ free volume and membrane thickness. Membrane failure at high pressure is determined by the DC and MPD/TMC ratios-dependent compressive yield strength. In short, these findings provide physical insights for optimizing existing PA membranes and designing next-generation desalination membranes at the molecular level. © 2022, The Authors. All rights reserved.

关键词： Molecular dynamics

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Natural Alkaloids (Caffeine, Theobromine and Theophylline) as Dielectric Capping Layers for Gold and Aluminum Gate Electrodes in Low Operating Voltage Organic Field-Effect Transistors

IEEE Journal on Flexible Electronics

引用

IEEE Journal on Flexible Electronics 2025年

作者： Irimia, Cristian Vlad Yumusak, Cigdem Ban, Boyuan Leeb, Elisabeth Mayr, Felix Schimanofsky, Corina Mardare, Andrei Ionut Molnar, Maximilian Alexander Teichert, Christian Sariciftci, Niyazi Serdar Irimia-Vladu, Mihai Institute of Physical Chemistry Altenberger Str. 69 Linz4040 Austria Graz University of Technology in Graz Master of Science student in Advanced Materials Science program Austria Montanuniversität Leoben Chair of Physics Department of Physics Mechanics and Electrical Engineering Franz Josef Str. 18 Leoben8700 Austria Key Lab of Photovoltaic and Energy Conservation Materials Institute of Solid-State Physics Hefei Institute of Physical Science Hefei230031 China Altenberger Str. 69 Linz4040 Austria National Institute for Lasers Plasma and Radiation Physics Magurele077125 Romania

Three natural alkaloids: caffeine, theobromine and theophylline are reported for their application as dielectric layers in organic field effect transistors (OFETs) utilizing both gold and aluminum gate electrodes. After careful purification of the materials, a detailed analysis using x-ray diffraction spectroscopy (XRD), Fourier transform infrared spectroscopy (FTIR), contact angle (CA), impedance spectroscopy, amplitude modulated kelvin probe force microscope (AM-KPFM) and cyclic voltammetry (CV) is performed. OFET devices operating at typical voltages between 2 and 4 V have been fabricated with the investigated alkaloid films processed via blade coating (caffeine) or vacuum processing (theobromine and theophylline). The dielectric properties of these three alkaloids are measured in impedance spectroscopy and negligible leakage currents are observed when deposited in thin films as dielectric layers in OFETs on aluminum electrodes. There is a high tendency of these molecules to crystallize and form uneven surfaces. When the thin film forming properties are carefully controlled, organic alkaloids can be employed in applications involving implantable, transient or even edible electronics. © 2022 IEEE.

关键词： Fourier transform infrared spectroscopy

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Nernst-Ettingshausen effect in thin Pt and W films at low temperatures

arXiv

引用

arXiv 2023年

作者： Luo, Renjie Legvold, Tanner J. Chen, Liyang Natelson, Douglas Department of Physics and Astronomy Rice University HoustonTX77005 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Electrical and Computer Engineering Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States

As spin caloritronic measurements become increasingly common techniques for characterizing material properties, it is important to quantify potentially confounding effects. We report measurements of the Nernst-Ettingshausen response from room temperature to 5 K in thin film wires of Pt and W, metals commonly used as inverse spin Hall detectors in spin Seebeck characterization. Johnson-Nyquist noise thermometry is used to assess the temperature change of the metals with heater power at low temperatures, and the thermal path is analyzed via finite-element modeling. The Nernst-Ettingshausen response of W is found to be approximately temperature-independent, while the response of Pt increases at low temperatures. These results are discussed in the context of theoretical expectations and the possible role of magnetic impurities in Pt. Copyright © 2023, The Authors. All rights reserved.

关键词： Inverse problems

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