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Classification and structural characteristics of amorphous materials based on interpretable deep learning

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Chinese Physics B 2023年第9期32卷 356-363页

作者：崔佳梅李韵洁赵偲郑文 Institute of Public Safety and Big Data College of Data ScienceTaiyuan University of TechnologyJinzhong 030600China Shanxi Engineering Research Center for Intelligent Data Assisted Treatment Changzhi Medical CollegeChangzhi 046000China

Defining the structure characteristics of amorphous materials is one of the fundamental problems that need to be solved urgently in complex materials because of their complex structure and long-range *** this study,we develop an interpretable deep learning model capable of accurately classifying amorphous configurations and characterizing their structural *** results demonstrate that the multi-dimensional hybrid convolutional neural network can classify the two-dimensional(2D)liquids and amorphous solids of molecular dynamics *** classification process does not make a priori assumptions on the amorphous particle environment,and the accuracy is 92.75%,which is better than other convolutional neural ***,our model utilizes the gradient-weighted activation-like mapping method,which generates activation-like heat maps that can precisely identify important structures in the amorphous configuration *** obtain an order parameter from the heatmap and conduct finite scale analysis of this *** findings demonstrate that the order parameter effectively captures the amorphous phase transition process across various *** results hold significant scientific implications for the study of amorphous structural characteristics via deep learning.

关键词： amorphous interpretable deep learning image classification finite scale analysis

Experimental study of the relationship between fluid density and saturation and sonic wave velocity of rock samples from the WXS Depression,South China Sea

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Petroleum science 2011年第1期8卷 43-48页

作者： Pei Fagen Zou Changchun He Tao Pan Lingzhi Xiao Kun Shi Ge Ren keying key Laboratory of Geo-detection（China University of Geosciences Beijing）Ministry of EducationBeijing 100083 China School of Earth and Space sciences Peking UniversityBeijing 100871China Zhanjiang Branch of China national Offshore Oil Corporation Ltd. Guangdong 524057China

The relationship between fluid density and saturation and sonic wave velocity of rock samples taken from the WXS Depression in the South China Sea was studied by an oil-water replacement experiment under simulated in-situ temperature and pressure *** kinds of low-density oils（0.691 and 0.749 g/cm^3） and two kinds of high-density oils（0.834 and 0.873 g/cm^3） were used to saturate the rock samples at different oil-saturation states,and the saturated P- and S-wave velocities were *** Gassmann＇s equation,the theoretical P- and S-wave velocities were also calculated by the fluid replacement *** the comparison of the measured values and the theoretical values, this study comes to the following conclusions.（1） With the increase of oil saturation and the decrease of water saturation,the P-wave velocity of rock samples saturated by low-density oil increases and the changing rule is in accord with the effective fluid theory;the P-wave velocity of rock samples saturated by high-density oil decreases and the changing rule goes against the theory.（2） With the increase of oil density（namely 0.691→0.749→0.834→0.873 g/cm^3） when oil saturation is unchanged,P-wave velocity increases gradually.（3） The S-wave velocity is always stable and is not affected by the change of oil density and *** results can be used to constrain pre-stack seismic inversion,and the variation rule of sonic wave velocity is valuable for hydrocarbon identification in the study area.

关键词： Rock physics saturation compressional wave shear wave water drive Gassmann's equation fluid replacement

Experimental and computational study of visible light-induced photocatalytic ability of nitrogen ions-implanted TiO2 nanotubes

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Chinese Physics B 2020年第4期29卷 82-88页

作者： Ruijing Zhang Xiaoli Liu Xinggang Hou Bin Liao College of Physics and Materials science Tianjin Normal UniversityTianjin 300387China key Laboratory of Beam technology and Material Modification of Ministry of Education College of Nuclear Science and TechnologyBeijing Normal UniversityBeijing 100875China

Nitrogen-doped TiO2 nanotubes(TNTs)were prepared by ion implantation and anodic *** prepared samples were applied in photocatalytic(PC)oxidation of methyl blue,rhodamine B,and bisphenol A under light *** explore the influence of doped ions on the band and electronic structure of TiO2,computer simulations were performed using the VASP code implementing spin-polarized density functional theory(DFT).Both substitutional and interstitial nitrogen atoms were *** experimental and computational results propose that the electronic structure of TiO2 was modified because of the emergence of impurity states in the band gap by introducing nitrogen into the lattice,leading to the absorption of visible *** synergy effects of tubular structures and doped nitrogen ions were responsible for highly efficient and stable PC activities induced by visible and ultraviolet(UV)light.

关键词： photocatalytic activities nitrogen ion implantation TiO2 nanotube impurity energy level light irradiation

Xiao Ke Qing improves glycometabolism and ameliorates insulin resistance by regulating the PI3K/Akt pathway in KKAy mice

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Frontiers of Medicine 2018年第6期12卷 688-696页

作者： Xiaoqing Li Xinxin Li Genbei Wang Yan Xu Yuanyuan Wang Ruijia Hao Xiaohui Ma Department of Pharmacology and Toxicology Tasly Pharmaceutical Co.Ltd.Tianjin 300410China

Xiao Ke Qing (XKQ) granule has been clinically used to treat type 2 diabetes mellitus (T2DM) for 10 years in Chinese traditional medication. However, its mechanisms against hyperglycemia remain poorly understood. This study aims to investigate XKQ mechanisms on diabetes and diabetic liver disease by using the KKAy mice model. Our results indicate that XKQ can significantly reduce food and water intake. XKQ treatment also remarkably decreases both the fasting blood glucose and blood glucose in the oral glucose tolerance test. Additionally, XKQ can significantly decrease the serum alanine aminotransferase level and liver index and can alleviate the fat degeneration in liver tissues. Moreover, XKQ can ameliorate insulin resistance and upregulate the expression of IRS-1, PI3K (p85), p-Akt, and GLUT4 in the skeletal muscle of KKAy mice. XKQ is an effective drug for T2DM by ameliorating insulin resistance and regulating the PI3K/Akt signaling pathway in the skeletal muscle.

关键词： KKAy mice PI3K/Akt pathway XKQ diabetic liver disease type 2 diabetes mellitus

Optimization of core-shell structure distribution in sintered Nd-Fe-B magnets by titanium addition

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Journal of Rare Earths 2023年第7期41卷 1068-1072,I0004页

作者： Shuwei Zhong Munan Yang Sajjad Ur Rehman Sangen Luo Longgui Li Chao Li Jiajie Li Shuhua Xiong Ihor Bulyk Bin Yang Faculty of Materials Metallurgy and Chemistry Jiangxi University of Science and TechnologyGanzhou 341000China key Laboratory of Development and Application of Ionic Rare Earth Resources Ministry of EducationJiangxi University of Science and TechnologyGanzhou 341000China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou 341000China national Rare Earth Function Materials Innovation Center Ganzhou 341000China Ganzhou Dongci Rare Earth Co. Ltd.(DMEGC)Ganzhou 341000China Jiangxi Rare Earth Functional Materials technology Co. Ltd.Ganzhou 341000China

In view of the uneven distribution of the core-shell structure of sintered Nd-Fe-B magnets after grain boundary diffusion,this study proposes to use high-melting-point and reactive element titanium(Ti)as an additive to increase the diffusion channels and to enhance the diffusion of heavy rare earth elements along the grain boundary *** adding Ti element,the diffusion depth and hence the intrinsic coercivity of magnets are increased *** addition of Ti increases the coercivity at two stages:initially from 16.07 to 16.29 kOe by addition effect,and then from 16.29 to 25.16 kOe by facilitating the diffusion of Tb *** formation of TiB_(2) phase improves the periodic arrangement of the crystal structure in the surroundings of the grain boundary phase and enhances its *** improved grain boundary diffusion and better core-shell structure distribution provide a theoretical guidance fo r solving the problem of diffusion depth in bulk magnets.

关键词： Sintered Nd-Fe-B magnets Grain boundary diffusion Core-shell structure TiB_(2)phase Rare earths

Optical and structural investigation of a-plane GaN layers on r-plane sapphire with nucleation layer optimization

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Chinese Physics B 2011年第5期20卷 409-412页

作者：张金风许晟瑞张进成郝跃 School of Microelectronics Xidian University key Laboratory of Ministry of Education for Wide Band-Gap Semiconductor Materials and Devices Xidian University

Nonpolar a-plane GaN epilayers are grown on several r-plane sapphire substrates by metal organic chemical vapour deposition using different nucleation layers：（A） a CaN nucleation layer deposited at low temperature （LT）; （B） an A1N nucleation layer deposited at high temperature; or （C） an LT thin AIN nucleation layer with an AIN layer and an A1N/A1CaN superlattice both subsequently deposited at high temperature. The samples have been characterized by Xray diffraction （XRD）, atomic force microscopy and photoluminescence. The GaN layers grown using nucleation layers B and C show narrower XRD rocking curves than that using nucleation layer A, indicating a reduction in crystal defect density. Furthermore, the GaN layer grown using nucleation layer C exhibits a surface morphology with triangular defect pits eliminated completely. The improved optical property, corresponding to the enhanced crystal quality, is also confirmed by temperature-dependent and excitation power-dependent photoluminescence measurements.

关键词： a-plane GaN metal organic chemical vapour deposition A1N/A1GaN superlattice photoluminescence

Template-free preparation of non-metal(B,P,S)doped g-C_(3)N_(4)tubes with enhanced photocatalytic H_(2)O_(2)generation

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Journal of Materials science & technology 2021年第36期95卷 127-135页

作者： Yuanyuan Liu Yanmei Zheng Weijie Zhang Zhengbin Peng Hang Xie Yi Xuan Wang Xinli Guo Ming Zhang Rui Li Ying Huang Jiangsu key Laboratory of Advanced Metallic Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China School of Energy and Environment Southeast UniversityNanjing 210096China

Developing environmentally friendly methods to produce hydrogen peroxide(H_(2)O_(2))has received increasing *** has been proved to be a sustainable technology for H_(2)O_(2)***,the novel non-metal elements(B,P,and S)doped g-C_(3)N_(4)tubes(B-CNT,P-CNT,and S-CNT)photocatalysts were obtained via a hydrothermal synthesis followed by thermal *** adjusting the precursor,the yield of g-C_(3)N_(4)tubes(CNT)materials has been greatly *** as-prepared B-CNT,P-CNT,and S-CNT photocatalysts show an enhanced photocatalytic H_(2)O_(2)production with the formation rate constants values of 42.31μM min^(-1),24.95μM min^(-1),and 24.22μM min^(-1),respectively,which is higher than that of bulk CN(16.40μM min^(-1)).The doped B,P,S elements significantly enhanced the photocatalytic activity by adjusting their electronic structures and promoting the separation of electronhole *** results have shown great potential for the practical application of CNT photocatalysts.

关键词： Template-free preparation High yield g-C_(3)N_(4)tube(CNT) Non-metal elements doping Photocatalytic H_(2)O_(2)production

Spatial distribution order parameter prediction of collective system using graph network

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Chinese Physics B 2023年第5期32卷 566-572页

作者：赵慧敏王瑞赵偲郑文 Institute of Public-Safety and Big Data College of Data ScienceTaiyuan University of TechnologyTaiyuan 030024China Center of Information Management and Development Taiyuan University of TechnologyTaiyuan 030024China Center for Healthy Big Data Changzhi Medical CollegeChangzhi 046000China

In the past few decades, the study of collective motion phase transition process has made great progress. It is also important for the description of the spatial distribution of particles. In this work, we propose a new order parameter φ to quantify the degree of order in the spatial distribution of particles. The results show that the spatial distribution order parameter can effectively describe the transition from a disorderly moving phase to a phase with a coherent motion of the particle distribution and the same conclusion could be obtained for systems with different sizes. Furthermore, we develop a powerful molecular dynamic graph network(MDGNet) model to realize the long-term prediction of the self-propelled collective system solely from the initial particle positions and movement angles. Employing this model, we successfully predict the order parameters of the specified time step. And the model can also be applied to analyze other types of complex systems with local interactions.

关键词： order parameter graph network collective system active matter

Double-authentication-preventing signatures revisited:new definition and construction from chameleon hash

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Frontiers of Information technology & Electronic Engineering 2019年第2期20卷 176-186页

作者： Fei LI Wei GAO Gui-lin WANG Ke-fei CHEN Chun-ming TANG School of Mathematics and Statistics Ludong University key Laboratory of Information Security Guangzhou University China-USA Computer science Research Center Nanjing University of Information Science and Technology Shield Lab Singapore Research Center of Huawei Department of Mathematics Hangzhou Normal University

Double-authentication-preventing signature(DAPS) is a novel signature notion proposed at ESORICS2014. The double-authentication-preventing property means that any pair of signatures on two different messages with the same subject will result in an immediate collapse of the signature system. A few potential applications of DAPS have been discussed by its inventors, such as providing a kind of self-enforcement to discourage certificate authority(CA) from misbehaving in public key infrastructure and offering CA some cryptographic arguments to resist legal coercion. In this study, we focus on some fundamental issues on DAPS. We propose a new definition,which is slightly weakened but still reasonable and strong enough to capture the DAPS concept. We develop the new notion of invertible chameleon hash functions with key exposure. Then we propose a generic DAPS scheme, which is provably secure if the underlying invertible chameleon hash function with key exposure is secure. We instantiate this general construction to obtain the DAPS schemes respectively based on the well-known assumptions of integer factorization, Rivest-Shamir-Adleman(RSA), and computational Diffie-Hellman(CDH). They are more efficient than previous DAPS schemes. Furthermore, unlike previous constructions, the trusted setup condition is not needed by our DAPS schemes based on RSA and CDH.

关键词： Double-authentication-preventing signatures Chameleon hash function Digital signature Provable security Authority trust level