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Nonreciprocal interactions induced by water in confinement

Physical Review Research 2020年第4期2卷 043244-043244页

作者： Felipe Jiménez-Ángeles Katherine J. Harmon Trung Dac Nguyen Paul Fenter Monica Olvera de la Cruz Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA Applied Physics Graduate Program Northwestern University Evanston Illinois 60208 USA Department of Chemical and Biological Engineering Northwestern University Evanston Illinois 60208 USA Chemical Sciences and Engineering Division Argonne National Laboratory Lemont Illinois 60439 USA Department of Physics and Astronomy Northwestern University Evanston Illinois 60208 USA Department of Chemistry Northwestern University Evanston Illinois 60208 USA

Water mediates electrostatic interactions via the orientation of its dipoles around ions, molecules, and interfaces. This induced water polarization consequently influences multiple phenomena. In particular, water polarization affects ion adsorption and transport, biomolecular self-assembly, and surface chemical reactions. Therefore, it is of paramount importance to understand water-mediated interactions modulated by nanoconfinement at the nanoscale. Here we investigate the effective interaction between two oppositely charged ions in different positions in water confined between two graphene surfaces. We find that the attraction between physisorbed ions is enhanced in the surface normal direction while the in-plane interaction is almost unaffected. The attraction in the surface normal direction is further enhanced by decreasing the confinement distance. Conversely, when one ion is intercalated into the graphene layers, the interaction becomes repulsive. Moreover, upon exchange of the ions' positions along the surface normal direction, the interaction energy changes by about 5kBT. The nonequivalent and directional properties found here, referred to as nonreciprocal interactions, cannot be explain by current water permittivity models in confinement. Our x-ray reflectivity experiments of the water structure near a graphene surface support our molecular dynamics simulation results. Our work shows that the water structure is not enough to infer electrostatic interactions near interfaces.

关键词： Confinement Dielectric properties Surface & interfacial phenomena Polarization Molecular dynamics X-ray reflectivity

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Under bending optical assessment of flexible glass based multilayer structures fabricated on polymeric substrates

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Optical materials: X 2023年 19卷

作者： Zanetti, Giacomo Carlotto, Alice Lam Tran, Thi Ngoc Szczurek, Anna Babiarczuk, Bartosz Sayginer, Osman Varas, Stefano Krzak, Justyna Bursi, Oreste Zonta, Daniele Baldi, Giacomo Bonomo, Matteo Galliano, Simone Barolo, Claudia Bazzanella, Nicola Pietralunga, Silvia Maria Chiasera, Alessandro IFN-CNR CSMFO Lab. and FBK Photonics Unit Via alla Cascata 56/C Povo TN 38123 Italy Dept. of Physics Politecnico di Milano P.zza L. da Vinci 32 Milan20133 Italy Dept. of Materials Technology Faculty of Applied Sciences Ho Chi Minh City University of Technology and Education Vo Van Ngan Str. 1 Thu Duc District Ho Chi Minh City720214 Viet Nam Department of Physics University of Trento Via Sommarive 14 Povo TN 38123 Italy Dept. of Mechanics Materials and Biomedical Engineering Wroclaw University of Science and Technology Smoluchowskiego 25 Wroclaw50-370 Poland Biological Imaging and TranslaTUM Technische Universität München Ismaninger Str. 22 MunichD-81675 Germany Dept. of Civil Environmental and Mechanical Engineering University of Trento via Mesiano 77 Trento38123 Italy Department of Chemistry NIS Interdepartmental Centre and INSTM Reference Centre University of Turin Via Pietro Giuria 7 Turin10125 Italy Via Granarolo 64 RA Faenza48018 Italy Department of Physics University of Trento Via Sommarive 14 Povo TN 38123 Italy IFN-CNR P.zza Leonardo da Vinci 32 Milan20133 Italy

We present the results of the spectral transmittance and reflectance of a SiO2/TiO2 1D photonic crystal deposited by Radio Frequency sputtering on a flexible polymeric substrate, which shows a blue-shift in its transmittance stopband proportional to the incidence angle when bent. An adjustable sample holder was designed to regulate the bending and keep the sample in a bent condition. Different angles of incidence were also achieved through variable angle reflectance, where an increase in incidence angle led to the blue-shift and narrowing of the transmittance stopband. We addressed the sample's resistance against bending wear and tear by comparing the transmittance spectra acquired for the flat sample before and after the measurements made in bent configurations. An important stability has been observed. © 2023 The Author(s)

关键词： Silica

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Geometric Filterless Photodetectors for Mid-infrared Spin Light

arXiv

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arXiv 2022年

作者： Wei, Jingxuan Chen, Yang Li, Ying Li, Wei Xie, Junsheng Lee, Chengkuo Novoselov, Kostya S. Qiu, Cheng-Wei Department of Electrical and Computer Engineering National University of Singapore Singapore117583 Singapore CAS Key Laboratory of Mechanical Behaviour and Design of Materials Department of Precision Machinery and Precision Instrumentation University of Science and Technology of China Hefei230026 China Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang University Hangzhou310027 China International Joint Innovation Center Key Lab of Advanced Micro/Nano Electronic Devices & Smart Systems of Zhejiang Zhejiang University Haining314400 China GPL Photonics Lab State Key Laboratory of Applied Optics Changchun Institute of Optics Fine Mechanics and Physics Chinese Academy of Sciences Changchun130033 China Center for Intelligent Sensors and MEMS National University of Singapore Singapore117608 Singapore Institute for Functional Intelligent Materials National University of Singapore Singapore117544 Singapore

Free-space circularly polarized light (CPL) detection, requiring polarizers and waveplates, has been well established, while such spatial degree of freedom is unfortunately absent in integrated on-chip optoelectronics. So far, those reported filterless CPL photodetectors suffer from the intrinsic small discrimination ratio, vulnerability to the non-CPL field components, and low responsivity. Here, we report a distinct paradigm of geometric photodetectors in mid-infrared exhibiting colossal discrimination ratio, close-to-perfect CPL-specific response, a zero-bias responsivity of 392 V/W at room temperature, and a detectivity of ellipticity down to 0.03o Hz−1/2. Our approach employs plasmonic nanostructures array with judiciously designed symmetry, assisted by graphene ribbons to electrically read their near-field optical information. This geometry-empowered recipe for infrared photodetectors provides a robust, direct, strict, and high-quality solution to on-chip filterless CPL detection and unlocks new opportunities for integrated functional optoelectronic devices. Copyright © 2022, The Authors. All rights reserved.

关键词： Photodetectors

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Additive manufacturing introduced substructure and computational determination of metamaterials parameters by means of the asymptotic homogenization

arXiv

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arXiv 2020年

作者： Abali, Bilen Emek Barchiesi, Emilio Technische Universität Berlin Institute of Mechanics MS 2 Einsteinufer 5 Berlin10587 Germany Uppsala University Division of Applied Mechanics Department of Materials Science and Engineering Box 534 UppsalaSE-751 21 Sweden International Research Center on Mathematics and Mechanics of Complex Systems Università degli Studi dell'Aquila Via Giovanni Gronchi 18 - Zona industriale di Pile L'Aquila67100 Italy

Metamaterials exhibit materials response deviation from conventional elasticity. This phenomenon is captured by the generalized elasticity as a result of extending the theory at the expense of introducing additional parameters. These parameters are linked to internal length scales. Describing on a macroscopic level a material possessing a substructure at a microscopic length scale calls for introducing additional constitutive parameters. Therefore, in principle, an asymptotic homogenization is feasible to determine these parameters given an accurate knowledge on the substructure. Especially in additive manufacturing, known under the infill ratio, topology optimization introduces a substructure leading to higher order terms in mechanical response. Hence, weight reduction creates a metamaterial with an accurately known substructure. Herein, we develop a computational scheme using both scales for numerically identifying metamaterials parameters. As a specific example we apply it on a honeycomb substructure and discuss the infill ratio. Such a computational approach is applicable to a wide class substructures and makes use of open-source codes;we make it publicly available for a transparent scientific exchange. Copyright © 2020, The Authors. All rights reserved.

关键词： Finite element method

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Predictive Scale-Bridging Simulations through Active Learning

arXiv

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arXiv 2022年

作者： Karra, Satish Mehana, Mohamed Lubbers, Nicholas Chen, Yu Diaw, Abdourahmane Santos, Javier E. Pachalieva, Aleksandra Pavel, Robert S. Haack, Jeffrey R. McKerns, Michael Junghans, Christoph Kang, Qinjun Livescu, Daniel Germann, Timothy C. Viswanathan, Hari S. Computational Earth Science Group Earth and Environmental Sciences Division Los Alamos National Laboratory NM87545 United States Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory RichlandWA99354 United States Information Sciences Group Computer Computational and Statistical Sciences Division Los Alamos National Laboratory Los AlamosNM87545 United States Department of Mechanics and Aerospace Engineering Southern University of Science and Technology Shenzen518055 China RadiaSoft LLC 6525 Gunpark Dr. Suite 370-411 BoulderCO80301 United States Applied Computer Science Group Computer Computational and Statistical Sciences Division Los Alamos National Laboratory Los AlamosNM87545 United States Computational Physics and Methods Los Alamos National Laboratory Los AlamosNM87545 United States Physics and Chemistry of Materials Group Theoretical Division Los Alamos National Laboratory Los AlamosNM87545 United States

Throughout computational science, there is a growing need to utilize the continual improvements in raw computational horsepower to achieve greater physical fidelity through scale-bridging over brute-force increases in the number of mesh elements. For instance, quantitative predictions of transport in nanoporous media, critical to hydrocarbon extraction from tight shale formations, are impossible without accounting for molecular-level interactions. Similarly, inertial confinement fusion simulations rely on numerical diffusion to simulate molecular effects such as non-local transport and mixing without truly accounting for molecular interactions. With these two disparate applications in mind, we develop a novel capability which uses an active learning approach to optimize the use of local fine-scale simulations for informing coarse-scale hydrodynamics. Our approach addresses three challenges: forecasting continuum coarse-scale trajectory to speculatively execute new fine-scale molecular dynamics calculations, dynamically updating coarse-scale from fine-scale calculations, and quantifying uncertainty in neural network models. © 2022, CC BY.

关键词： Molecular dynamics

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Large-scale lattice boltzmann method simulations of stenosed carotid bifurcation 21

Large-scale lattice boltzmann method simulations of stenosed...

引用

21st IEEE International Conference on High Performance Computing and Communications, 17th IEEE International Conference on Smart City and 5th IEEE International Conference on Data science and Systems, HPCC/SmartCity/DSS 2019

作者： Ge, Sen Xie, Jiang Wang, Haiya Zhu, Cong Zhang, Wu School of Computer Engineering and Science Shanghai University Shanghai China Geriatric Department Shanghai Jiaotong University School of Medicine Affiliated Renji Hospital Shanghai China Materials Genome Institute of Shanghai University Shanghai University Shanghai China Shanghai Institute of Applied Mathematics and Mechanics Shanghai University Shanghai China

ISBN: (纸本)9781728120584

Carotid artery diseases are extremely harmful to the human brain, especially unstable plaques. Wall shear stress is significant for clinical diagnosis of carotid plaque stability. The challenge of the traditional simulation method is that preprocessing time and computation time of large-scale simulation are relatively long. In this paper, a fast simulation procedure for two-dimensional (2D) and three-dimensional (3D) blood flow models of stenosed carotid based on parallel lattice Boltzmann method was proposed. The geometry model of carotid artery stenosis was established by medical image reconstruction method. For computational grid generation, in the 3D model, we used the wall encryption grid method to improve the precision of the near wall blood flow simulation and reduce the number of computational grids. The simulation results were compared with the analytic results to verify the rationality and accuracy of the model. In order to meet the clinical requirements, especially the limited diagnostic time, parallel optimization was carried out in high performance computing cluster. The simulation results show that the parallel algorithm with OpenMP libraries were more than 15 times faster than the serial simulations. Our method can assist doctors to diagnose carotid artery disease in a short time. © 2019 IEEE.

关键词： Diagnosis

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DeePMD-kit v2: A software package for Deep Potential models

arXiv

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arXiv 2023年

作者： Zeng, Jinzhe Zhang, Duo Lu, Denghui Mo, Pinghui Li, Zeyu Chen, Yixiao Rynik, Marián Huang, Li'ang Li, Ziyao Shi, Shaochen Wang, Yingze Ye, Haotian Tuo, Ping Yang, Jiabin Ding, Ye Li, Yifan Tisi, Davide Zeng, Qiyu Bao, Han Xia, Yu Huang, Jiameng Muraoka, Koki Wang, Yibo Chang, Junhan Yuan, Fengbo Bore, Sigbjørn Løland Cai, Chun Lin, Yinnian Wang, Bo Xu, Jiayan Zhu, Jia-Xin Luo, Chenxing Zhang, Yuzhi Goodall, Rhys E.A. Liang, Wenshuo Singh, Anurag Kumar Yao, Sikai Zhang, Jingchao Wentzcovitch, Renata Han, Jiequn Liu, Jie Jia, Weile York, Darrin M. Weinan, E. Car, Roberto Zhang, Linfeng Wang, Han Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China HEDPS CAPT College of Engineering Peking University Beijing100871 China College of Electrical and Information Engineering Hunan University Changsha China Yuanpei College Peking University Beijing100871 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ08540 United States Department of Experimental Physics Comenius University Mlynská Dolina F2 Bratislava842 48 Slovakia Center for Quantum Information Institute for Interdisciplinary Information Sciences Tsinghua University Beijing100084 China Center for Data Science Peking University Beijing100871 China ByteDance Research Zhonghang Plaza No. 43 North 3rd Ring West Road Haidian District Beijing China College of Chemistry and Molecular Engineering Peking University Beijing100871 China Baidu Inc. Beijing China Key Laboratory of Structural Biology of Zhejiang Province School of Life Sciences Westlake University Zhejiang Hangzhou China Westlake AI Therapeutics Lab Westlake Laboratory of Life Sciences and Biomedicine Zhejiang Hangzhou China Department of Chemistry Princeton University PrincetonNJ08544 United States SISSA Scuola Internazionale Superiore di Studi Avanzati Trieste34136 Italy Laboratory of Computational Science and Modeling Institute of Materials École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Department of Physics National University of Defense Technology Hunan Changsha410073 China State Key Lab of Processors Institute of Computing Technology Chinese Academy of Sciences Beijing China University of Chinese Academy of Sciences Beijing China School of Electronics Engineerin

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely used in the fields of physics, chemistry, biology, and material science for studying atomistic systems. The current version of DeePMD-kit offers numerous advanced features such as DeepPot-SE, attention-based and hybrid descriptors, the ability to fit tensile properties, type embedding, model deviation, Deep Potential - Range Correction (DPRc), Deep Potential Long Range (DPLR), GPU support for customized operators, model compression, non-von Neumann molecular dynamics (NVNMD), and improved usability, including documentation, compiled binary packages, graphical user interfaces (GUI), and application programming interfaces (API). This article presents an overview of the current major version of the DeePMD-kit package, highlighting its features and technical details. Additionally, the article benchmarks the accuracy and efficiency of different models and discusses ongoing developments. © 2023, CC BY-NC-ND.

关键词： Molecular dynamics

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A study of the initial adhesive force of cells on silk fibroin-based materials using micropipette aspiration

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Regenerative Biomaterials 2018年第3期5卷 151-157页

作者： Xiaojie Lian Shichao Liu Liming Liu Rui Xu Miaomiao Du Song Wang Hesun Zhu Qiang Lu Quanyou Zhang Yali Wu Di Huang Yan Wei Department of Biomedical Engineering Research Center for Nano-Biomaterials and Regenerative MedicineCollege of MechanicsTaiyuan University of TechnologyTaiyuan 030024China Shanxi Key Laboratory of Material Strength and Structural Impact Institute of Applied Mechanics and Biomedical EngineeringTaiyuan University of TechnologyTaiyuan 030024China Research Center of Materials Science School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China National Engineering Laboratory for Modern Silk College of Textile and Clothing EngineeringSoochow UniversitySuzhou 215123China

With the development of biomaterials,more attention is paid to the adhesion characteristics between cells and *** is necessary to study the adhesive force with a suitable *** fibroin(SF)is widely investigated in biomedical application due to its novel biocompatibility and mechanical *** this article,the micropipette aspiration method and measurement pattern of uniform cells in round shape(UCR)was used to study the initial adhesive force of three types of cells on pure silk fibroin films(SFFs).We also compared the adhesive forces of modified SFFs with that of pure *** results of adhesive force in the initial adhesive stage were in concordance with the results of MTT assay andmicroscope observation,which were confirmed by the above three cell lines and four kinds of *** results indicated UCR was an efficient and quantitative measurement pattern in initial adhesion *** article also provides a useful method in identifying initial cell-materials interactions.

关键词： silk-based materials cell initial adhesion micropipette uniform cells in round shape

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Magnetic anisotropy reversal driven by structural symmetry-breaking in monolayer α-RuCl3

arXiv

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arXiv 2022年

作者： Yang, Bowen Goh, Yin Min Sung, Suk Hyun Ye, Gaihua Biswas, Sananda Kaib, David A.S. Dhakal, Ramesh Yan, Shaohua Li, Chenghe Jiang, Shengwei Chen, Fangchu Lei, Hechang He, Rui Valentí, Roser Winter, Stephen M. Hovden, Robert Tsen, Adam W. Institute for Quantum Computing University of Waterloo WaterlooONN2L 3G1 Canada Department of Physics and Astronomy University of Waterloo WaterlooONN2L 3G1 Canada Department of Physics University of Michigan Ann ArborMI48109 United States Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Department of Electrical and Computer Engineering Texas Tech University LubbockTX79409 United States Institut für Theoretische Physik Goethe-Universität Frankfurt Max-von-Laue-Strasse 1 Frankfurt am Main60438 Germany Department of Physics Center for Functional Materials Wake Forest University Winston-SalemNC27109 United States Department of Physics Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices Renmin University of China Beijing100872 China Department of Physics Cornell University IthacaNY United States School of Physics and Astronomy Shanghai Jiao Tong University Shanghai China Applied Physics Program University of Michigan Ann ArborMI48109 United States Department of Chemistry University of Waterloo WaterlooONN2L 3G1 Canada

The Kitaev model is a celebrated spin-½ model on the two-dimensional (2D) honeycomb lattice with bond-dependent Ising interactions1, which features a highly entangled quantum spin liquid (QSL) ground state, fractionalized Majorana excitations, and a series of magnetic-field-induced quantum phase transitions1-7. The search for materials realizing the Kitaev model has been an ongoing challenge for over a decade and may potentially lead to applications in fault-tolerant topological quantum computing8. Yet, the unavoidable presence of non-Kitaev interactions (Heisenberg, off-diagonal, next-nearest neighbor, etc.) almost always drives the ground state away from the QSL phase, and a careful tuning of the exchange parameters is needed9-12. α-RuCl3 is a layered van der Waals material that is a particularly promising candidate to realize Kitaev physics13-15. Although the ground state is zigzag (ZZ) antiferromagnetic (AFM), this ordering can be suppressed with the application of an ~ 6-8T in-plane magnetic field. The presence of a half-integer thermal quantum Hall effect has been reported in this intermediate phase at low temperature16,17, while an unusual continuum of magnetic excitations can be seen even without magnetic field that persists far above the Néel temperature (TN ~ 7-8K)18,19. Both observations hint at α-RuCl3 being in proximity to a QSL, making it a current subject of intense scrutiny. Yet from a theoretical point of view, a QSL induced by in-plane field generally cannot be accounted for, as most calculations for α-RuCl3 show Kitaev phases more broadly emerging from an out-of-plane field6,20-23. Due to the strong "easy-plane" magnetic anisotropy of bulk crystals, however, prohibitively high fields above 30T are required to access such states24-26. The strong coupling between the spin, charge, and lattice degrees of freedom in α-RuCl3 presents an exciting opportunity to tune its magnetic interactions via external perturbations. Although pressure27-29, strain30,

关键词： Ground state

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Maximal Resolution from the Ronchigram: Human vs. Deep Learning

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Microscopy and Microanalysis 2019年第S2期25卷 160-161页

作者： Schnitzer, Noah Sung, Suk Hyun Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI 48019 USA Applied Physics Program University of Michigan Ann Arbor MI 48109 USA

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