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Molecular simulation-guided and physics-informed mechanistic modeling of multifunctional polymers

Acta Mechanica Sinica 2021年第5期37卷 725-745,I0002页

作者： Guang Chen Weikang Xian Qiming Wang Ying Li Department of Mechanical Engineering University of ConnecticutStorrsCT 06269USA Sonny Astani Department of Civil and Environmental Engineering University of Southern CaliforniaLos AngelesCA 90089USA Department of Mechanical Engineering and Polymer Program Institute of Materials ScienceUniversity of ConnecticutStorrsCT 06269USA

Polymeric materials have a broad range of mechanical and physical *** have been widely used in material science,biomedical engineering,chemical engineering,and mechanical *** introduction of active elements into the soft matrix of polymers has enabled much more diversified functionalities of polymeric materials,such as self-healing,electroactive,magnetosensitive,pH-responsive,and many *** further enable applications of these multifunctional polymers,a mechanistic modeling method is required and of great significance,as it can provide links between materials’micro/nano-structures and their macroscopic mechanical *** this goal,molecular simulation plays an important role in understanding the deformation and evolution of polymer networks under external loads and *** molecular insights provide physical guidance in the formulation of mechanistic-based continuum models for multifunctional *** this perspective,we present a molecular simulation-guided and physics-informed modeling framework for polymeric ***,the physical theory for polymer chains and their networks is briefly *** serves as the foundation for mechanistic-models of polymers,linking their chemistry,physics,and mechanics ***,the deformation of the polymer network is used to derive the strain energy density ***,the corresponding continuum models can capture the intrinsic deformation mechanisms of polymer *** then highlight several representative examples across multiphysics coupling problems to describe in detail for this proposed *** but not least,we discuss potential challenges and opportunities in the modeling of multifunctional polymers for future research directions.

关键词： Molecular simulation Multiphysics modeling Multiscale modeling Multifunctional polymers Soft Matter

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Corrigendum to "Effect of cell imprinting on viability and drug susceptibility of breast cancer cells to doxorubicin" [Acta Biomaterialia, 2020, 113, 119-129] (Acta Biomaterialia (2020) 113 (119–129), (S1742706120303287), (10.1016/***.2020.06.007))

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Acta Biomaterialia 2025年 198卷 571-572页

作者： Shahriyari, Fatemeh Janmaleki, Mohsen Sharifi, Shahriar Hesar, Milad Eyvazi Hoshian, Sasha Taghiabadi, Reza Razaghian, Ahmad Ghadiri, Majid Peirovi, Afshin Mahmoudi, Morteza Nezhad, Amir Sanati Khademhosseini, Ali Division of Engineering in Medicine Department of Medicine Brigham and Women's Hospital Harvard Medical School CambridgeMA United States Division of Health Sciences & Technology Harvard-Massachusetts Institute of Technology Massachusetts Institute of Technology CambridgeMA United States Department of Materials Engineering Faculty of Engineering Imam Khomeini International University Qazvin Iran Biomedical Engineering Graduate Program University of Calgary Canada Precision Health Program and Department of Radiology Michigan State University East LansingMI48824 United States RWTH Aachen University Templergraben 55 Aachen52062 Germany Department of Chemistry and Materials Science Aalto University School of Chemical Engineering Espoo Finland Department of Mechanical Engineering Faculty of Engineering Imam Khomeini International University Qazvin Iran Nano-Biotechnology Department Pasteur Institute of Iran Tehran Iran Departments of Bioengineering Chemical and Biomolecular Engineering and Radiological Sciences Center for Minimally Invasive Therapeutics California NanoSystems Institute University of California – Los Angeles Los AngelesCA United States Terasaki Institute for Biomedical Innovation Los AngelesCA United States

The authors regret to report that the images for panels h (Plain PDMS) and I (MCF7-imprinted PDMS) in Fig. 3 were mistakenly taken from the same dataset, resulting in the omission of the correct image in panel h for the Plain PDMS day 7 image. We sincerely apologize for this error. For an accurate representation, please see the corrected Fig. 3 provided here along with its original figure caption. This does not affect the validity of the statistical analyses or the overall conclusions drawn from the study. © 2025

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Measuring 3D Chemistry at 1 nm Resolution with Fused Multi-Modal Electron Tomography

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1394-1395页

作者： Schwartz, Jonathan Di, Zichao Wendy Jiang, Yi Cho, Min Gee Qian, Yiwen Gu, Junsi Rozeveld, Steve Ercius, Peter Fessler, Jeffrey A. Xu, Ting Scott, Mary Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States Mathematics and Computer Science Division Argonne National Laboratory Lemont IL United States Advanced Photon Source Argonne National Laboratory Lemont IL United States Department of Materials Science and Engineering University of California at Berkeley Berkeley CA United States National Center for Electron Microscopy Lawrence Berkeley National Laboratory Berkeley CA United States Dow Chemical Co. Midland MI United States Department of Electrical Engineering and Computer Science University of Michigan Ann Arbor MI United States Materials Science Division Lawrence Berkeley National Laboratory Berkeley CA United States Applied Physics Program University of Michigan Ann Arbor MI United States

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Optothermal multimodal manipulation of micro/nanoparticles

Optothermal multimodal manipulation of micro/nanoparticles

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Conference on Lasers and Electro-Optics (CLEO)

作者： Hongru Ding Pavana Siddhartha Kollipara Kan Yao Yuebing Zheng Walker Department of Mechanical Engineering The University of Texas at Austin Austin TX USA Materials Science & Engineering Program and Texas Materials Institute The University of Texas at Austin Austin TX USA

We report a new optical platform to achieve on-demand multimodal manipulation of micro/nanoparticles by a synergy of optical and thermal forces.

ISBN: (纸本)9781957171258

We report a new optical platform to achieve on-demand multimodal manipulation of micro/nanoparticles by a synergy of optical and thermal forces.

关键词： Laser beams Nanoparticles Optical force Optical manipulation Optical tweezers Spatial resolution

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Moderate-Refractive-Index Mie Resonators for Versatile Modulation of Two-Dimensional Excitons

Moderate-Refractive-Index Mie Resonators for Versatile Modul...

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Conference on Lasers and Electro-Optics (CLEO)

作者： Jie Fang Yuebing Zheng Materials Science & Engineering Program and Texas Materials Institute The University of Texas at Austin Austin TX USA Walker Department of Mechanical Engineering The University of Texas at Austin Austin TX USA

By coupling well-designed moderate-refractive-index Mie resonators to monolayer semiconductors, we have demonstrated efficient modulation of two-dimensional excitons in multiple dimensions: far-field excitonic radiati... 详细信息

ISBN: (纸本)9781957171258

关键词： Excitons Mie resonances Mie theory Optical resonators Refractive index Semiconductors

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Carbon nitride- and graphene-based materials for the photocatalytic degradation of emerging water pollutants

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materials Advances 2024年第7期5卷 2668-2688页

作者： Indra Jaya Budiarso Valentinus Alphano Dabur Riska Rachmantyo Hermawan Judawisastra Chechia Hu Arie Wibowo Master Program in Materials Science and Engineering Faculty of Mechanical and Aerospace Engineering Institut Teknologi Bandung Ganesha 10 Bandung 40132 West Java Indonesia Doctoral Program in Materials Science and Engineering Faculty of Mechanical and Aerospace Engineering Institut Teknologi Bandung Ganesha 10 Bandung 40132 West Java Indonesia Materials Science and Engineering Faculty of Mechanical and Aerospace Engineering Institut Teknologi Bandung Ganesha 10 Bandung 40132 West Java Indonesia ariewibowo@itb.ac.id Department of Chemical Engineering National Taiwan University of Science and Technology Taipei 106 Taiwan R&D Center for Membrane Technology Chung Yuan Christian University Taoyuan 320 Taiwan Research Center for Nanoscience and Nanotechnology Institut Teknolgi Bandung Ganesha 10 Bandung 40132 West Java Indonesia

Photocatalytic degradation is a promising way to treat emerging pollutants in wastewater. Recently, metal-free photocatalysts such as carbon nitride- and graphene-based materials have attracted much interest in the photocatalytic degradation of emerging water pollutants owing to their visible light activity and unique electrical properties, respectively. Graphitic carbon nitride (GCN) is considered a superior visible light–active photocatalyst because of its suitable bandgap (2.7 eV). Moreover, the facile synthesis process and the high chemical and thermal stability of GCN make it one of the research hotspots in photocatalytic wastewater treatment. Besides GCN, graphene and its derivatives are utilized to support main photocatalysts by enhancing their light absorption, pollutant adsorption, and photogenerated charge separation. Furthermore, the vast modification of these materials has promoted various outstanding performances in carbon nitride- and graphene-based photocatalysts in the application of pollutant degradation. In this review, we highlight recent developments in carbon nitride- and graphene-based photocatalysts (2018–2023), focusing on the strategies to improve the activity of GCN as a visible light–active photocatalyst and the role of graphene and its derivatives as supporting materials in wastewater pollutant remediation applications.

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Meta-optic accelerators for object classifier

Meta-optic accelerators for object classifier

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2023 Conference on Lasers and Electro-Optics, CLEO 2023

作者： Zheng, Hanyu Liu, Quan Zhou, You Kravchenko, Ivan I. Huo, Yuankai Valentine, Jason Department of Electrical and Computer Engineering Vanderbilt University NashvilleTN37212 United States Department of Computer Science Vanderbilt University NashvilleTN37212 United States Department of Mechanical Engineering Vanderbilt University NashvilleTN37212 United States Interdisciplinary Materials Science Program Vanderbilt University NashvilleTN37212 United States Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak RidgeTN37830 United States

A meta-optic platform for accelerating object classification is demonstrated. End-to-end design is used to co-optimize the optical and digital systems resulting in a high-speed and robust classifier with 93.1% accurac...

ISBN: (纸本)9781957171258

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Vortex Formation of Active Particles within a Confined Geometry by Velocity Alignment

Vortex Formation of Active Particles within a Confined Geome...

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Conference on Lasers and Electro-Optics (CLEO)

作者： Zhihan Chen Hongru Ding Yuebing Zheng Materials Science & Engineering Program and Texas Materials Institute The University of Texas at Austin Austin TX USA Walker Department of Mechanical Engineering The University of Texas at Austin Austin TX USA

we have developed an optical feedback control system with synchronous control of active particles to study collective motion in nature. Fish-like vortex is observed within a circular confined geometry based on the par... 详细信息

ISBN: (纸本)9781957171258

关键词： Coherence Light fields Optical feedback Polarization Rubidium Spatial light modulators

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Optothermal Manipulation at Fluid Interfaces

Optothermal Manipulation at Fluid Interfaces

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Conference on Lasers and Electro-Optics (CLEO)

作者： Youngsun Kim Carolina Ponce Zhihan Chen Yuebing Zheng Materials Science & Engineering Program Texas Materials Institute The University of Texas at Austin Austin TX USA Walker Department of Mechanical Engineering The University of Texas at Austin Austin TX USA

Optothermal manipulation of particles at fluid interfaces was studied with a film of gold nanoparticles assembled at aqueous/oil interfaces. The unique optothermal behaviors of particles and fluid interfaces under opt... 详细信息

ISBN: (纸本)9781957171258

关键词： Gold Laser beams Laser irradiation Light scattering Optical force Optical tweezers

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Phase/Interfacial-Engineered Two-Dimensional-Layered WSe2 Films by a Plasma-Assisted Selenization Process: Modulation of Oxygen Vacancies in Resistive Random-Access Memory

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ACS Applied materials and Interfaces 2023年第28期15卷 33858-33867页

作者： Chaudhary, Mayur Shih, Yu-Chuan Tang, Shin-Yi Yang, Tzu-Yi Kuo, Tzu-Wen Chung, Chia-Chen Shen, Ying-Chun Anbalagan, Aswin kumar Lee, Chih-Hao Hou, Tuo-Hung He, Jr-Hau Chueh, Yu-Lun Department of Materials Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan International Intercollegiate Ph.D. Program National Tsing Hua University Hsinchu30013 Taiwan College of Semiconductor Research National Tsing Hua University Hsinchu30013 Taiwan Department of Physics National Sun Yat-Sen University Kaohsiung80424 Taiwan Department of Engineering and System Science National Tsing Hua University Hsinchu30013 Taiwan Department of Electronic Engineering National Yang Ming Chiao Tung University Hsinchu30013 Taiwan Department of Materials Science and Engineering City University of Hong Kong Hong Kong999077 Hong Kong Frontier Research Center on Fundamental and Applied Sciences of Matters National Tsing Hua University Hsinchu30013 Taiwan Semiconductor Research Center Hon Hai Research Institute Taipei11492 Taiwan

Here, we propose phase and interfacial engineering by inserting a functional WO3 layer and selenized it to achieve a 2D-layered WSe2/WO3 heterolayer structure by a plasma-assisted selenization process. The 2D-layered WSe2/WO3 heterolayer was coupled with an Al2O3 film as a resistive switching (RS) layer to form a hybrid structure, with which Pt and W films were used as the top and bottom electrodes, respectively. The device with good uniformity in SET/RESET voltage and high low-/high-resistance window can be obtained by controlling a conversion ratio from a WO3 film to a 2D-layered WSe2 thin film. The Pt/Al2O3/(2D-layered WSe2/WO3)/W structure shows remarkable improvement to the pristine Pt/Al2O3/W and Pt/Al2O3/2D-layered WO3/W in terms of low SET/RESET voltage variability (−20/20)%, multilevel characteristics (uniform LRS/HRS distribution), high on/off ratio (104-105), and retention (∼105 s). The thickness of the obtained WSe2 was tuned at different gas ratios to optimize different 2D-layered WSe2/WO3 (%) ratios, showing a distinctive trend of reduced and uniform SET/RESET voltage variability as 2D-layered WSe2/WO3 (%) changes from 90/10 (%) to 45/55 (%), respectively. The electrical measurements confirm the superior ability of the metallic 1T phase of the 2D-layered WSe2 over the semiconducting 2H phase. Through systemic studies of RS behaviors on the effect of 1T/2H phases and 2D-layered WSe2/WO3 ratios, the low-temperature plasma-assisted selenization offers compatibility with the temperature-limited 3D integration process and also provides much better thickness control over a large area. © 2023 American Chemical Society.

关键词： Aluminum oxide

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