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arXiv 2022年

作者： Yang, Lin Guo, Shuai Hou, Chengyu Li, Jiacheng Shi, Liping Liao, Chenchen Shi, Rongchun Ma, Xiaoliang Zheng, Bing Fang, Yi Ye, Lin He, Xiaodong National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Center for Composite Materials and Structures Harbin Institute of Technology Harbin150080 China School of Aerospace Mechanical and Mechatronic Engineering The University of Sydney NSW2006 Australia School of Electronics and Information Engineering Harbin Institute of Technology Harbin150080 China School of Chemistry and Materials Science Heilongjiang University Harbin150001 China Mathematical Science Institute The Australian National University CanberraACT0200 Australia Shenzhen STRONG Advanced Materials Research Institute Co. Ltd. Shenzhen518035 China

The infectivity of SARS-CoV-2 depends on the binding affinity of the receptor-binding domain (RBD) of the spike protein with the angiotensin converting enzyme 2 (ACE2) receptor. The calculated RBD-ACE2 binding energies indicate that the difference in transmission efficiency of SARS-CoV-2 variants cannot be fully explained by electrostatic interactions, hydrogen-bond interactions, van der Waals interactions, internal energy, and nonpolar solvation energies. Here, we demonstrate that low-entropy regions of hydration shells around proteins drive hydrophobic attraction between shape-matched low-entropy regions of the hydration shells, which essentially coordinates protein-protein binding in rotational-configurational space of mutual orientations and determines the binding affinity. An innovative method was used to identify the low-entropy regions of the hydration shells of the RBDs of multiple SARS-CoV-2 variants and the ACE2. We observed integral low-entropy regions of hydration shells covering the binding sites of the RBDs and matching in shape to the low-entropy region of hydration shell at the binding site of the ACE2. The RBD-ACE2 binding is thus found to be guided by hydrophobic collapse between the shape-matched low-entropy regions of the hydration shells. A measure of the low-entropy of the hydration shells can be obtained by counting the number of hydrophilic groups expressing hydrophilicity within the binding sites. The low-entropy level of hydration shells at the binding site of a spike protein is found to be an important indicator of the contagiousness of the coronavirus. © 2022, CC BY.

关键词： SARS

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Annealing-induced evolution of boron-doped polycrystalline diamond

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Physical Review Materials 2024年第4期8卷 044802-044802页

作者： Gufei Zhang Ramiz Zulkharnay Fabian Ganss Yujie Guo Mohammed Alkhalifah Limin Yang Sen Zhang Shengqiang Zhou Peng Li Yejun Li Victor V. Moshchalkov Jiaqi Zhu Paul W. May National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology 150080 Harbin China Zhengzhou Research Institute Harbin Institute of Technology 450000 Zhengzhou China POLIMA—Center for Polariton-Driven Light-Matter Interactions and Danish Institute for Advanced Study University of Southern Denmark Campusvej 55 DK-5230 Odense M Denmark School of Chemistry University of Bristol Bristol BS8 1TS United Kingdom Institute of Ion Beam Physics and Materials Research Helmholtz-Zentrum Dresden-Rossendorf Bautzner Landstraße 400 01328 Dresden Germany Photonics Research Group Department of Information Technology Ghent University-IMEC 9052 Ghent Belgium Department of Chemical Engineering Shandong University of Technology 255000 Zibo China Hunan Key Laboratory of Nanophotonics and Devices School of Physics and Electronics and School of Materials Science and Engineering Central South University 410083 Changsha China Department of Physics and Astronomy KU Leuven B-3001 Heverlee Belgium

Diamond shows great promise for opening up new paradigms in the semiconductor industry and quantum electronics. Here, we investigate the influence of thermal annealing on the structural and electrical transport properties of heavily boron-doped polycrystalline diamond (BPD) thin films. Our structural analyses show that annealing beyond 600∘C can induce severe local amorphization in a BPD thin film and transform it into a binary mixture of spatially separate domains of amorphous carbon (a-C) and diamond grains. Due to this annealing-induced morphology and phase segregation, the BPD thin films demonstrate a significant decrease of the electron localization radius and a distinct increase of the Ginzburg-Landau coherence length. Our research provides physical insight into the conversion of diamond to a-C and aids in defining the application scope of BPD by revealing its heat tolerance.

关键词： Electrical properties Localization Phase transitions Polycrystals Structural properties Amorphous materials Diamond Doped semiconductors Granular solids Low-temperature superconductors Semiconductors Superconductors Annealing Chemical vapor deposition Raman spectroscopy

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Photopolymerization and reaction sintering of ZrC/SiC ultra-high-temperature ceramics fabricated by 3D printing

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Ceramics International 2025年

作者： Wang, P. Zhu, S.S. Zhang, S.P. Su, F. Yuan, J.K. Jia, Y.J. Fu, Y.Q. Li, T. Zhang, Y.L. Ramasamy, P. Eckert, J. Lao, C.S. Chen, Z.W. Henan Key Laboratory of High Performance Carbon Fiber Reinforced Composites Institute of Carbon Matrix Composites Henan Academy of Sciences Zhengzhou450046 China Additive Manufacturing Institute Shenzhen University Nanhai Avenue 3688 Shenzhen518060 China Zhengzhou Research Institute Harbin Institute of Technology Zhengzhou450000 China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin150080 China Department of Mechanical Engineering City University of Hong Kong Tat Chee Avenue Kowloon Tong Kowloon Hong Kong Erich Schmid Institute of Materials Science Austrian Academy of Sciences Jahnstraße 12 LeobenA-8700 Austria Department of Materials Science Chair of Materials Physics Montanuniversität Leoben Jahnstraße 12 LeobenA-8700 Austria

Zr-based ultra-high temperature ceramics (UHTCs) are widely used as the key parts of aircrafts in thermal protection systems. However, such materials usually have a high sintering temperature and it is difficult to obtain complex parts using traditional manufacturing methods. This study reports on the success preparation of complex Zr-based UHTCs by a light-curing 3D printing process. The results indicate that the smaller the precursor particle size, the higher is the viscosity of the slurry used for printing. Slurries with a better curing performance can be prepared by mixing various active diluents and photoinitiators with an optimized certain proportion. The stability of the slurry can be improved by adding coupling agents and dispersants. The main components of the 3D printed green parts are ZrC, SiC and pyrolytic carbon at 1800 °C, yielding a high compressive strength (102 ± 2 MPa) and elastic modulus (65 ± 1 GPa). ZrC/SiC composite ceramic parts with low open porosity (3.99 %) were obtained by 3D printing after heat treatment, which provides an effective way to design complex UHTC parts for extreme environment applications. © 2025

关键词： Compressive strength

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Bilayer Thermal Metadevices that Mold Transient Heat Flows

SSRN

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SSRN 2023年

作者： Ji, Qingxiang Zhang, Qi Guenneau, Sébastien Kadic, Muamer Wang, Changguo National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin150001 China UMI 2004 Abraham de Moivre-CNRS Imperial College LondonSW7 2AZ United Kingdom The Blackett Laboratory Department of Physics Imperial College London LondonSW7 2AZ United Kingdom Université de Franche-Comté Institute FEMTO-ST CNRS Besançon25000 France

Thermal manipulation has been widely researched due to its potential in novel functions, such as cloaking, illusion and sensing. To avoid the spatially inhomogeneous and anisotropic heat conductivity tensors (introduced by transformational thermodynamics), several thermal cloaks based on scattering cancellation (SC) approach are designed and experimentally demonstrated. However, the current SC cloak are only effective in the steady-state heat transfer condition as the heat capacity terms are neglected by the requirement of constant external fields. In order to expand the SC cloak to the transient regime, a bilayer scheme is introduced to achieve the accurate solutions of the camouflage equations considering time factors. Indeed, there are two equations to solve with two unknown quantities: first the thermal conductivity and second the product of specific heat capacity by the density. We construct thermal camouflage devices and verify their ability to mold dynamic heat flows both by simulations and experiments. Our proposed method paves an efficient avenue to extend SC approach to dynamic heat transfer regime. © 2023, The Authors. All rights reserved.

关键词： Thermal conductivity

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High temperature tensile strength analysis of C/SIC composite and superalloy bolted joint structure 22

High temperature tensile strength analysis of C/SIC composit...

引用

22nd International Conference on composite Materials, ICCM 2019

作者： Zhao, Shuyuan Li, Zhengyu Pu, Zeliang Science and Technology on Advanced Composites in Special Environments Laboratory Harbin Institute of Technology Harbin China

Ceramic composite Materials (CMC) and superalloy bolted joint structures have received considerable attention for propulsion system and vehicle hot structure applications. In their service conditions, the hybrid bolted joint structures are subjected to superimposed thermal and mechanical loads. The thermal expansion mismatch between CMC and superalloy plates will cause complex thermal stress and strain distribution at hole-edge area and significant changes in assembly parameters of the joint. These effects might lead to early damage of joint structure, which will endanger the structural integrity and load carrying capacity of aircraft components. To address this issue, in this work, a progressive damage model for 2D woven C/SiC composite including a nonlinear macroscopic constituent model and Tsai-Wu failure criterion was established to predict high temperature tensile performance and failure behavior of single-lap, single-bolt 2D C/SiC composite and superalloy joint. The variations of failure strength with imposed temperature and bolt preload were discussed for the studied bolted joint. The present work provides valuable information in design of CMC joint structures on next-generation aircrafts. © 2019 International Committee on composite Materials. All rights reserved.

关键词： Finite element method

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New Equations for Describing Contact Area between Tire and Ground

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橡胶工业 2020年第9期67卷 670-676页

作者： CUI Zhibo SU Zhaoqian HOU Dandan ZHANG Chunsheng WANG Youshan LIU Yuyan WU Jian Key Laboratory of the Ministry of Industry and Information Technology New Energy Conversion and Critical Material Storage TechnologyHarbin Institute of TechnologyHarbin 150001China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of TechnologyHarbin 150001China Zhongce Rubber Group Co. LtdHangzhou 310018China

New equations are proposed to describe the shapes and sizes of the contact areas between tire and ground(the contact areas)under the conditions of static load,slip,camber,and *** equations are super ellipse and trigonometric function with four *** indicate that the contact areas under the conditions of static load,slip,camber can be well described by super ellipse,in the most complicated case,fourteen parameters are *** rolling contact area can be reconstructed by the trigonometric function *** and asymmetrical shapes can both be described *** suggested curves will make calculate size of the areas *** described shapes and sizes are in good agreement with the measured,the maximum deviation is only 2.88%.This work will provide an instrument for understanding the contact area and be helpful for analyzing tire and road.

关键词： contact areas contact shape tire and ground super ellipse equation

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Space Layout of Low-entropy Hydration Shells Guides Protein Binding

arXiv

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arXiv 2022年

作者： Yang, Lin Guo, Shuai Hou, Chengyu Liao, Chencheng Li, Jiacheng Shi, Liping Ma, Xiaoliang Jiang, Shenda Zheng, Bing Fang, Yi Ye, Lin He, Xiaodong National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Center for Composite Materials and Structures Harbin Institute of Technology Harbin150080 China School of Aerospace Mechanical and Mechatronic Engineering University of Sydney NSW2006 Australia School of Electronics and Information Engineering Harbin Institute of Technology Harbin150080 China Key Laboratory of Functional Inorganic Material Chemistry Ministry of Education School of Chemistry and Materials Science Heilongjiang University Harbin150001 China Mathematical Science Institute The Australian National University CanberraACT0200 Australia Shenzhen STRONG Advanced Materials Research Institute Co. Ltd Shenzhen518035 China

Protein-protein binding enables orderly and lawful biological self-organization, and is therefore considered a miracle of nature. Protein-protein binding is steered by electrostatic forces, hydrogen bonding, van der Waals force, and hydrophobic interactions. Among these physical forces, only the hydrophobic interactions can be considered as long-range intermolecular attractions between proteins in intracellular and extracellular fluid. Low-entropy regions of hydration shells around proteins drive hydrophobic attraction among them that essentially coordinate protein-protein docking in rotational-conformational space of mutual orientations at the guidance stage of the binding. Here, an innovative method was developed for identifying the low-entropy regions of hydration shells of given proteins, and we discovered that the largest low-entropy regions of hydration shells on proteins typically cover the binding sites. According to an analysis of determined protein complex structures, shape matching between the largest low-entropy hydration shell region of a protein and that of its partner at the binding sites is revealed as a regular pattern. Protein-protein binding is thus found to be mainly guided by hydrophobic collapse between the shape-matched low-entropy hydration shells that is verified by bioinformatics analyses of hundreds of structures of protein complexes. A simple algorithm is developed to precisely predict protein binding sites. © 2022, CC BY.

关键词： Hydrophobicity

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Corrigendum to ‘Experimental investigation of thermal architected metamaterials for regulating transient heat transfer’ [International Journal of Heat and Mass Transfer volume 193 (2022) 1–10/122960]

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International Journal of Heat and Mass Transfer 2023年 211卷

作者： Xingwei Zhang Xiao He Linzhi Wu Key Laboratory of Advanced Ship Materials and Mechanics College of Aerospace and Civil Engineering Harbin Engineering University Harbin 150001 China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin 150080 China Center for Composite Materials Harbin Institute of Technology Harbin 150001 China

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Multiscale failure analysis of 3d braided composite structure by coupling FEM and FFT method 22

Multiscale failure analysis of 3d braided composite structur...

引用

22nd International Conference on composite Materials, ICCM 2019

作者： Fang, Guodong Wang, Bing Science and Technology on Advanced Composites in Special Environments Key Laboratory Harbin Institute of Technology Harbin150001 China

The progressive damage behavior of three dimensional (3D) braided composite beam is studied by using a more efficient multiscale coupling method including fast Fourier transformation (FFT)-based method and finite element (FE) method. FFT-based method with variational principle is used to overcome the poor convergence for composites with large jumps of material properties in mesoscale. The mechanical response of the braided composites is studied using finite element (FE) method in the macro-scale. The predicted strength and dominated failure modes of the braided composites structure obtained by the proposed method are in good agreement with the experimental results. The high computation efficiency is attractive for large structure with the nonlinear mechanical behavior. © 2019 International Committee on composite Materials. All rights reserved.

关键词： Fast Fourier transforms

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Analytical and experimental study on high-temperature high-velocity impact limit for C/C composite 22

Analytical and experimental study on high-temperature high-v...

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22nd International Conference on composite Materials, ICCM 2019

作者： Weihua, Xie Fan, Yang Shuo, Han Songhe, Meng National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin China

Explosively formed debris at low earth orbit is one of the most severe hypervelocity impact loading threats to space shuttle. The collision induced crack or perforation would lead to an unzipping of the thermal protection system (TPS) of the impacted shuttle when the impact occurs in their re-entry stage. So far, SiC coated C/C composite (RCC as abbreviated) as a candidate material for TPS have not been studied sufficiently on their mechanical protection performance. The hypervelocity impact characteristics of RCC at temperatures of 25°C to 1400°C were analysed and discussed in this paper. The experimental test programs were implemented with a converted light gas gun system and results were presented with various impact factors being considered. Furthermore, corresponding simulations were carried out and the morphologies of perforated holes from numerical results were consistent with those observed from tests results. Additionally, a semi-empirical and semi-analytical model was developed and successfully used for predicting the residual velocity and trajectory of the projectiles during the impact. Eventually, comparisons of the ballistic impact response predictions with the experimental results were presented and discussed. © 2019 International Committee on composite Materials. All rights reserved.

关键词： Space shuttles

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