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arXiv 2019年

作者： Boromand, Arman Signoriello, Alexandra Lowensohn, Janna Orellana, Carlos S. Weeks, Eric R. Ye, Fangfu Shattuck, Mark D. O’Hern, Corey S. Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Beijing National Laboratory for Condensed Matter Physics CAS Key Laboratory of Soft Matter Physics Institute of Physics Chinese Academy of Sciences Beijing China Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Department of Physics Emory University AtlantaGA30322 United States School of Physical Sciences University of Chinese Academy of Sciences Beijing China Benjamin Levich Institute and Physics Department City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

We perform computational studies of jammed particle packings in two dimensions undergoing isotropic compression using the well-characterized soft particle (SP) model and deformable particle (DP) model that we developed for bubbles and emulsions. In the SP model, circular particles are allowed to overlap, generating purely repulsive forces. In the DP model, particles minimize their perimeter, while deforming at fixed area to avoid overlap during compression. We compare the structural and mechanical properties of jammed packings generated using the SP and DP models as a function of the packing fraction ρ, instead of the reduced number density φ. We show that near jamming onset the excess contact number ∆z = z−zJ and shear modulus G scale as ∆ρ0.5 in the large system limit for both models, where ∆ρ = ρ−ρJ and zJ ≈4 and ρJ ≈0.842 are the values at jamming onset. ∆z and G for the SP and DP models begin to differ for ρ & 0.88. In this regime, ∆z∼G can be described by a sum of two power-laws in ∆ρ, i.e. ∆z∼G ∼C0∆ρ0.5+C1∆ρ1.0 to lowest order. We show that the ratio C1/C0 is much larger for the DP model compared to to that for the SP model. We also characterize the void space in jammed packings as a function of ρ. We find that the DP model can describe the formation of Plateau borders as ρ → 1. We further show that the results for z and the shape factor A versus ρ for the DP model agree with recent experimental studies of foams and emulsions. Copyright © 2019, The Authors. All rights reserved.

关键词： Jamming

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Author Correction: Stretchable, dynamic covalent polymers for soft, long-lived bioresorbable electronic stimulators designed to facilitate neuromuscular regeneration

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Nature communications 2021年第1期12卷 415页

作者： Yeon Sik Choi Yuan-Yu Hsueh Jahyun Koo Quansan Yang Raudel Avila Buwei Hu Zhaoqian Xie Geumbee Lee Zheng Ning Claire Liu Yameng Xu Young Joong Lee Weikang Zhao Jun Fang Yujun Deng Seung Min Lee Abraham Vázquez-Guardado Iwona Stepien Ying Yan Joseph W Song Chad Haney Yong Suk Oh Wentai Liu Hong-Joon Yoon Anthony Banks Matthew R MacEwan Guillermo A Ameer Wilson Z Ray Yonggang Huang Tao Xie Colin K Franz Song Li John A Rogers Center for Bio-Integrated Electronics Northwestern University Evanston IL 60208 USA. Querrey Simpson Institute for Biotechnology Northwestern University Evanston IL 60208 USA. Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA. Department of Bioengineering University of California Los Angeles Los Angeles CA 90095 USA. Division of Plastic and Reconstructive Surgery Department of Surgery National Cheng Kung University Hospital College of Medicine National Cheng Kung University Tainan 70456 Taiwan. International Research Center for Wound Repair and Regeneration National Cheng Kung University Tainan 70456 Taiwan. School of Biomedical Engineering Korea University Seoul 02841 Republic of Korea. Interdisciplinary Program in Precision Public Health Korea University Seoul 02841 Republic of Korea. Department of Mechanical Engineering Northwestern University Evanston IL 60208 USA. Department of Medicine University of California Los Angeles Los Angeles CA 90095 USA. State Key Laboratory of Structural Analysis for Industrial Equipment Dalian University of Technology 116024 Dalian China. Department of Engineering Mechanics Dalian University of Technology 116024 Dalian China. International Research Center for Computational Mechanics Dalian University of Technology 116024 Dalian China. State Key Laboratory of Chemical Engineering College of Chemical and Biological Engineering Zhejiang University 310027 Hangzhou China. Department of Biomedical Engineering Northwestern University Evanston IL 60208 USA. State Key Laboratory of Mechanical System and Vibration Shanghai Jiao Tong University 200240 Shanghai China. Center for Developmental Therapeutics Chemistry Life Processes Institute Northwestern University Evanston IL 60208 USA. Department of Neurological Surgery Washington University School of Medicine St. Louis MO 63110 USA. Center for Advanced Molecular Imaging Northwestern University Evanston IL

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Atomic and electronic reconstruction at van der Waals interface in twisted bilayer graphene

arXiv

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arXiv 2018年

作者： Yoo, Hyobin Engelke, Rebecca Carr, Stephen Fang, Shiang Zhang, Kuan Cazeaux, Paul Sung, Suk Hyun Hovden, Robert Tsen, Adam W. Taniguchi, Takashi Watanabe, Kenji Yi, Gyu-Chul Kim, Miyoung Luskin, Mitchell Tadmor, Ellad B. Kaxiras, Efthimios Kim, Philip Department of Physics Harvard University CambridgeMA02138 United States Aerospace Engineering and Mechanics University of Minnesota MinneapolisMN55455 United States Department of Mathematics University of Kansas LawrenceKS66045 United States Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Institute for Quantum Computing and Department of Chemistry University of Waterloo WaterlooONN2L 3G1 Canada National Institute for Materials Science Namiki 1-1 Ibaraki305-0044 Japan Department of Physics and Astronomy Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Department of Materials Science and Engineering Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of School of Mathematics University of Minnesota MinneapolisMN55455 United States John A. Paulson School of Engineering and Applied Sciences Harvard University

Control of the interlayer twist angle in two-dimensional (2D) van der Waals (vdW) heterostructures enables one to engineer a quasiperiodic moiré superlattice of tunable length scale1-7. In twisted bilayer graphene (TBG), the simple moiré superlattice band description suggests that the electronic band width can be tuned to be comparable to the vdW interlayer interaction at a ‘magic angle’8, exhibiting strongly correlated behavior. However, the vdW interlayer interaction can also cause significant structural reconstruction at the interface by favoring interlayer commensurability, which competes with the intralayer lattice distortion9-15. Here we report the atomic scale reconstruction in TBG and its effect on the electronic structure. We find a gradual transition from incommensurate moiré structure to an array of commensurate domain structures as we decrease the twist angle across the characteristic crossover angle, θc ~1°. In the twist regime smaller than θc where the atomic and electronic reconstruction become significant, a simple moiré band description breaks down. Upon applying a transverse electric field, we observe electronic transport along the network of one-dimensional (1D) topological channels that surround the alternating triangular gapped domains, providing a new pathway to engineer the system with continuous tunability. Copyright © 2018, The Authors. All rights reserved.

关键词： Van der Waals forces

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N-Graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability

arXiv

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arXiv 2018年

作者： Mortazavi, Bohayra Makaremi, Meysam Shahrokhi, Masoud Fan, Zheyong Rabczuk, Timon Institute of Structural Mechanics Bauhaus-Universität Weimar Marienstr. 15 WeimarD-99423 Germany Department of Materials Science and Engineering University of Toronto 184 College Street TorontoONM5S 3E4 Canada Institute of Chemical Research of Catalonia ICIQ Barcelona Institute of Science and Technology Av. Països Catalans 16 TarragonaES-43007 Spain QTF Centre of Excellence Department of Applied Physics Aalto University AaltoFI-00076 Finland College of Civil Engineering Department of Geotechnical Engineering Tongji University Shanghai China

Most recently, N-graphdiyne two-dimensional (2D) nanomaterials were successfully experimentally realized at the gas/liquid and liquid/liquid interfaces. We accordingly conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of uniaxial tensile simulations reveal that these monolayers can yield remarkably high stretchability or tensile strength depending on the atomic structure and loading direction. Studied N-graphdiyne nanomembranes were found to exhibit semiconducting electronic character, with band-gap values ranging from 0.98 eV to 3.33 eV, based on the HSE06 estimations. The first absorption peak suggests that these 2D structures can absorb visible, IR and NIR light. Ab initio molecular dynamics results reveal that N-graphdiyne 2D structures can withstand at high temperatures, like 2000 K. Thermal conductivities of suspended single-layer N-graphdiyne sheets were predicted to be almost temperature independent and about three orders of magnitude smaller than that of the graphene. The comprehensive insight provided by this work highlights the outstanding physics of N-graphdiyne 2D nanomaterials, and suggest them as highly promising candidates for the design of novel stretchable nanodevices. Copyright © 2018, The Authors. All rights reserved.

关键词： Density functional theory

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Innentitelbild: Diels–Alder Conversion of Acrylic Acid and 2,5-Dimethylfuran topara-Xylene Over Heterogeneous Bi-BTC Metal-Organic Framework Catalysts Under Mild Conditions (Angew. Chem. 2/2021)

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Angewandte Chemie 2020年第2期133卷

作者： Jyun-Yi Yeh Season S. Chen Shih-Cheng Li Celine H. Chen Dr. Tetsuya Shishido Dr. Daniel C. W. Tsang Dr. Yusuke Yamauchi Yi-Pei Li Prof. Kevin C.-W. Wu International Graduate Program of Molecular Science and Technology (NTU-MST) National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan Taiwan International Graduate Program (TIGP) Academia Sinica No. 128 Sec. 2 Academia Road Taipei 11529 Taiwan Department of Chemical Engineering National (Taiwan) University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan School of Engineering Brown University Providence RI 02912 USA Department of Applied Chemistry for Environment Tokyo Metropolitan University 1-1 Minami-osawa Hachioji Tokyo 192-0397 Japan Department of Civil and Environmental Engineering The Hong Kong Polytechnic University Hung Hom Kowloon Hong Kong China JST-ERATO Yamauchi Materials Space-Tectonics Project Kagami Memorial Research Institute for Materials Science and Technology Waseda University 2-8-26 Nishiwaseda Shinjuku-ku Tokyo 169-0051 Japan Australian Institute for Bioengineering and Nanotechnology (AIBN) School of Chemical Engieering The University of Queensland Brisbane QLD 4072 Australia Center of Atomic Initiative for New Materials National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan

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Inside Cover: Diels–Alder Conversion of Acrylic Acid and 2,5-Dimethylfuran topara-Xylene Over Heterogeneous Bi-BTC Metal-Organic Framework Catalysts Under Mild Conditions (Angew. Chem. Int. Ed. 2/2021)

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Angewandte Chemie International Edition 2020年第2期60卷

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Diels–Alder Conversion of Acrylic Acid and 2,5-Dimethylfuran topara-Xylene Over Heterogeneous Bi-BTC Metal-Organic Framework Catalysts Under Mild Conditions

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Angewandte Chemie 2020年第2期133卷

The heterogeneous metal-organic framework Bi-BTC successfully catalyzed the synthesis of para -xylene from bio-based 2,5-dimethylfuran and acrylic acid in a promising yield (92 %), under relatively mild conditions (160 °C, 10 bar), and with a low reaction-energy barrier (47.3 kJ mol −1 ). The proposed reaction strategy also demonstrates a remarkable versatility for furan derivatives such as furan and 2-methylfuran.

关键词： 2,5-dimethylfuran acrylic acid Bi-BTC metal-organic frameworks para-xylene

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The mechanics while bridging pristine graphene patches for large area or 3-Dimensional structure

The mechanics while bridging pristine graphene patches for l...

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第二十一届国际复合材料大会

作者： Yujie Wei JiangtaoWu Hanqing Yin Xinghua Shi Ronggui Yang Mildred Dresselhaus LNM Institute of MechanicsChinese Academy of Sciences Department of Mechanical Engineering and Materials Science and Engineering Program University of Colorado Department of Physics and EECS Massachusetts Institute of Technology

Like most crystalline materials,two-dimensional materials exhibit rich mechanical behavior which heavily depends on their crystalline orientations and the arrangement existing *** we illustrate in detail how the strength and the fracture behavior are influenced by crystalline orientations in pristine *** reveal the crack kinking behavior as well as the orientation dependence of apparent fracture *** addition,we show how typical defects

关键词： The mechanics while bridging pristine graphene patches for large area or 3-Dimensional structure

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Modified Transport-of-Intensity Approach for Mapping In-situ Magnetic Induction

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Microscopy and Microanalysis 2017年第S1期23卷 930-931页

作者： C. Phatak V. Brajuskovic F. Barrows A. Petford-Long Materials Science Division Argonne National Laboratory Lemont IL 60439 USA Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA Applied Physics Program Northwestern University Evanston IL 60208 USA

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Photovoltaic Devices: High Performance Roll‐to‐Roll Produced Fullerene‐Free Organic Photovoltaic Devices via Temperature‐Controlled Slot Die Coating (Adv. Funct. Mater. 6/2019)

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Advanced Functional materials 2019年第6期29卷

作者： Seok‐In Na You‐Hyun Seo Yoon‐Chae Nah Seok‐Soon Kim Hyojung Heo Jueng‐Eun Kim Nicholas Rolston Reinhold H. Dauskardt Mei Gao Youngu Lee Doojin Vak CSIRO Manufacturing Bag 10 Clayton South Victoria 3168 Australia Professional Graduate School of Flexible and Printable Electronics and Polymer Materials Fusion Research Center Chonbuk National University Deokjin‐dong 664‐14 Jeonju‐si Jeollabuk‐do 561‐756 Republic of Korea Interdisciplinary Program in Creative Engineering School of Energy Materials and Chemical Engineering Korea University of Technology and Education Cheonan 31253 Korea Department of Nano & Chemical Engineering Kunsan National University 290–2 Miryong‐dong Gunsan‐si Jeollabuk‐do 573‐701 Republic of Korea Department of Energy Science and Engineering Daegu Gyeongbuk Institute of Science and Technology (DGIST) Daegu 42988 Korea Department of Applied Physics Stanford University Stanford CA 94305 USA Department of Materials Science and Engineering Stanford University Stanford CA 94305 USA

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