Two-dimensional C_(2)N-based single-atom catalyst with complex microenvironment for enhanced electrochemical nitrogen reduction:A descriptor-based design

The catalytic descriptor with operational feasibility is highly desired towards rational design of high-performance catalyst especially the electrode/electrolyte solution interface working under mild conditions.Herein,we demonstrate that the descriptorΩparameterized by readily accessible intrinsic properties of metal center and coordination is highly operational and efficient in rational design of single-atom catalyst(SAC)for driving electrochemical nitrogen reduction(NRR).Using twodimensional metal(M)-B_(x)P_(y)S_(z)N_m@C_(2)N as prototype SAC models,we reveal that^(*)N_(2)+(H~++e~-)→^(*)N_(2)H acts predominantly as the potential-limiting step(PLS)of NRR on M-B_(2)P_(2)S_(2)@C_(2)N and M-B_(1)P_(1)S_(1)N_(3)@C_(2)N regardless of the distinction in coordination microenvironment.Among the 28 screened M active sites,withΩvalues close to the optimal 4,M-B_(2)P_(2)S_(2)@C_(2)N(M=V(Ω=3.53),Mo(Ω=5.12),and W(Ω=3.92))and M-B_(1)P_(1)S_(1)N_(3)@C_(2)N(M=V(Ω=3.00),Mo(Ω=4.34),and W(Ω=3.32))yield the lowered limiting potential(U_(L))as-0.45,-0.54.-0.36,-0.58,-0.25,and-0.24 V,respectively,thus making them the promising NRR catalysts.More importantly,these SACs are located around the top of volcano-shape plot of U_(L) versusΩ,re-validatingΩas an effective descriptor for accurately predicting the high-activity NRR SACs even with complex coordination.Our study unravels the relationship between active-site structure and NRR performance via the descriptorΩ,which can be applied to other important sustainable electrocatalytic reactions involving activation of small molecules viaσ-donation andπ^(*)-backdonation mechanism.

Robust zero-watermarking algorithm based on discrete wavelet transform and daisy descriptors for encrypted medical image

In the intricate network environment,the secure transmission of medical images faces challenges such as information leakage and malicious tampering,significantly impacting the accuracy of disease diagnoses by medical professionals.To address this problem,the authors propose a robust feature watermarking algorithm for encrypted medical images based on multi-stage discrete wavelet transform(DWT),Daisy descriptor,and discrete cosine transform(DCT).The algorithm initially encrypts the original medical image through DWT-DCT and Logistic mapping.Subsequently,a 3-stage DWT transformation is applied to the encrypted medical image,with the centre point of the LL3 sub-band within its low-frequency component serving as the sampling point.The Daisy descriptor matrix for this point is then computed.Finally,a DCT transformation is performed on the Daisy descriptor matrix,and the low-frequency portion is processed using the perceptual hashing algorithm to generate a 32-bit binary feature vector for the medical image.This scheme utilises cryptographic knowledge and zero-watermarking technique to embed watermarks without modifying medical images and can extract the watermark from test images without the original image,which meets the basic re-quirements of medical image watermarking.The embedding and extraction of water-marks are accomplished in a mere 0.160 and 0.411s,respectively,with minimal computational overhead.Simulation results demonstrate the robustness of the algorithm against both conventional attacks and geometric attacks,with a notable performance in resisting rotation attacks.

Building Facade Point Clouds Segmentation Based on Optimal Dual-Scale Feature Descriptors

To address the current issues of inaccurate segmentation and the limited applicability of segmentation methods for building facades in point clouds, we propose a facade segmentation algorithm based on optimal dual-scale feature descriptors. First, we select the optimal dual-scale descriptors from a range of feature descriptors. Next, we segment the facade according to the threshold value of the chosen optimal dual-scale descriptors. Finally, we use RANSAC (Random Sample Consensus) to fit the segmented surface and optimize the fitting result. Experimental results show that, compared to commonly used facade segmentation algorithms, the proposed method yields more accurate segmentation results, providing a robust data foundation for subsequent 3D model reconstruction of buildings.

Combining descriptor-based analyses and mean-field modeling of the electrochemical interface to comprehend trends of catalytic processes at the solid/liquid interface

Electrocatalysis is undergoing a renaissance due to its central importance for a sustainable energy economy,relying on green(electro-)chemical processes to harvest,convert,and store energy.Theoretical considerations by electronic structure methods are key to identify potential material motifs for electrocatalytic processes at the solid/liquid interface.Most commonly,heuristic concepts in the realm of materials screening by the compilation of volcano plots are used,which rely on a plethora of simplifications and approximations of the complex electrochemical interface.While the investigation of the catalytic processes at the solid/liquid interface mainly relies on descriptor-based approaches,in the present future article it is discussed that the inclusion of the liquid part of the interface by mean-field models is crucial to elevate screening approaches to the next level.

Design of novel transition-metal-doped C_(4)N_(4) as highly effective electrocatalysts for nitrogen fixation with a new intrinsic descriptor

Electrocatalytic nitrogen reduction reaction(NRR) is an efficient and green way to produce ammonia,which offers an alternative option to the conventional Haber-Bosch process.Unfortunately,the large-scale industrial application of NRR processes is still hindered by poor Faraday efficiency and high overpotential,which need to be overcome urgently.Herein,combined with density functional theory and particle swarm optimization algorithm for the nitrogen carbide monolayer structural search(C_mN_(8-m),m=1-7),the surprising discovery is that single transition metal-atom-doped C_(4)N_(4) monolayers(TM@C_(4)N_(4)) could effectively accelerate nitrogen reduction reaction.TM@C_(4)N_(4)(TM=29 transition metals) as single-atom catalysts are evaluated via traditional multi-step screening method,and their structures,NRR activity,selectivity and solvation effect are investigated to evaluate their NRR performance,Through the screening steps,W@C_(4)N_(4) possesses the highest activity for NRR with a very low limiting potential of-0.29 V.Moreover,an intrinsic descriptor φ is proposed with machine learning,which shortens the screening process and provides a new idea for finding efficient SACs.This work not only offers promising catalysts W@C_(4)N_(4) for NRR process but also offers a new intrinsic and universal descriptor φ.

Degree-Based Entropy Descriptors of Graphenylene Using Topological Indices

Graph theory plays a significant role in the applications of chemistry,pharmacy,communication,maps,and aeronautical fields.The molecules of chemical compounds are modelled as a graph to study the properties of the compounds.The geometric structure of the compound relates to a few physical properties such as boiling point,enthalpy,π-electron energy,andmolecular weight.The article aims to determine the practical application of graph theory by solving one of the interdisciplinary problems describing the structures of benzenoid hydrocarbons and graphenylene.The topological index is an invariant of a molecular graph associated with the chemical structure,which shows the correlation of chemical structures using many physical,chemical properties and biological activities.This study aims to introduce some novel degree-based entropy descriptors such as ENTSO,ENTGH,ENTHG,ENTSS,ENTNSO,ENTNReZ1,ENTNReZ2 and ENTNSS using the respective topological indices.Also,the above-mentioned entropy measures and physico-chemical properties of benzenoid hydrocarbons are fitted using linear regression models and calculated for graphenylene structure.

Novel 3D local feature descriptor of point clouds based on spatial voxel homogenization for feature matching

Obtaining a 3D feature description with high descriptiveness and robustness under complicated nuisances is a significant and challenging task in 3D feature matching.This paper proposes a novel feature description consisting of a stable local reference frame(LRF)and a feature descriptor based on local spatial voxels.First,an improved LRF was designed by incorporating distance weights into Z-and X-axis calculations.Subsequently,based on the LRF and voxel segmentation,a feature descriptor based on voxel homogenization was proposed.Moreover,uniform segmentation of cube voxels was performed,considering the eigenvalues of each voxel and its neighboring voxels,thereby enhancing the stability of the description.The performance of the descriptor was strictly tested and evaluated on three public datasets,which exhibited high descriptiveness,robustness,and superior performance compared with other current methods.Furthermore,the descriptor was applied to a 3D registration trial,and the results demonstrated the reliability of our approach.

W-系统矩和Fourier变换下Volume Descriptors不变特征的三维模型检索

针对V-系统矩难以构造快速算法的不足,提出一种W-系统矩及其快速算法,并融合volume descriptors不变特征应用于三维模型检索.首先对模型体素化;其次计算体素模型的W-系统矩和物体运动不变量,得到特征向量;最后进行特征融合及匹配.实验结果表明,该算法的检索效率和性能均优于三维球面调和函数方法和三维Legendre矩方法.

Static Output Feedback H_∞ Controllers Design for Descriptor Linear Systems Based on LMI

This paper considers the design problem of static output feedback H ∞ controllers for descriptor linear systems with linear matrix inequality (LMI) approach. Necessary and sufficient conditions for the existence of a static output feedback H ∞ controller are given in terms of LMIs. Furthermore, the design method of H ∞ controllers is provided using the solutions to the LMIs.

An Angle Structure Descriptor for Image Retrieval

This paper presents an efficient image feature representation method, namely angle structure descriptor(ASD), which is built based on the angle structures of images. According to the diversity in directions, angle structures are defined in local blocks. Combining color information in HSV color space, we use angle structures to detect images. The internal correlations between neighboring pixels in angle structures are explored to form a feature vector. With angle structures as bridges, ASD extracts image features by integrating multiple information as a whole, such as color, texture, shape and spatial layout information. In addition, the proposed algorithm is efficient for image retrieval without any clustering implementation or model training. Experimental results demonstrate that ASD outperforms the other related algorithms.

Shape Descriptor with Morphology Method for Color-based Tracking

Tracking images using shape descriptor can be more accurate than using other existing methods and it is most useful when the environment is complex. However the existing methods with shape descriptor get more labeled parts to compare and detect the object in an image, which makes the computation more complicated. Thus, we need a trade-off between the accuracy and efficiency requirements. This paper aims to bridge this gap between the accuracy and efficiency requirements by using morphology method. To improve the original monochromatic object detecting system, we propose a new color descriptor to preprocess the image with polychromatic object. Experiments have been conducted and shown the proposed method has made a great improvement in the time complexity minimization comparing with the performances of the original detection algorithm.

Extract the Output Signal Characteristics of DC-DC Converter Based on Fourier Descriptor

The precondition of realizing feedback controlling DC DC converter to avoid chaotic state is to judge the behavior of the converter and take corresponding measures. In this paper, the output signals under different circuit parameters of the PWM buck converter have been analyzed. The method of using Fourier descriptor to extract output signals characteristics is put forward and proved to be a gist of identifying and classifying the behavior of DC DC converter. This method can establish a good foundation fo...

Shape retrieval using multi-level included angle functions-based Fourier descriptor

An effective shape signature namely multi-level included angle functions MIAFs is proposed to describe the hierarchy information ranging from global information to local variations of shape.Invariance to rotation translation and scaling are the intrinsic properties of the MIAFs.For each contour point the multi-level included angles are obtained based on the paired line segments derived from unequal-arc-length partitions of contour.And a Fourier descriptor derived from multi-level included angle functions MIAFD is presented for efficient shape retrieval.The proposed descriptor is evaluated with the standard performance evaluation method on three shape image databases the MPEG-7 database the Kimia-99 database and the Swedish leaf database. The experimental results of shape retrieval indicate that the MIAFD outperforms the existing Fourier descriptors and has low computational complexity.And the comparison of the MIAFD with other shape description methods also shows that the proposed descriptor has the highest precision at the same recall value which verifies its effectiveness.

Attitude sensor fault diagnosis based on Kalman filter of discrete-time descriptor system

To diagnose the fault of attitude sensors in satellites, this paper proposes a novel approach based on the Kalman filter of the discrete-time descriptor system. By regarding the sensor fault term as the auxiliary state vector, the attitude measurement system subjected to the attitude sensor fault is modeled by the discrete-time descriptor system. The condition of estimability of such systems is given. And then a Kalman filter of the discrete-time descriptor system is established based on the methodology of the maximum likelihood estimation. With the descriptor Kalman filter, the state vector of the original system and sensor fault can be estimated simultaneously. The proposed method is able to esti-mate an abrupt sensor fault as well as the incipient one. Moreover, it is also effective in the multiple faults scenario. Simulations are conducted to confirm the effectiveness of the proposed method.

Delay-dependent H-infinity control for linear descriptor systems with delay in state

A deky-dependent H-infinity control for descriptor systems with a state-delayis investigated. The purpose of the problem is to design a linear memoryless state-feedbackcontroller such that the resulting closed-loop system is regular, impulse free and stable with anH-infinity norm bound. Firstly, a deky-dependent bounded real lemma(BRL) of the time-deky descriptorsystems is presented in terms of linear matrix inequalities(LMIs) by using a descriptor modeltransformation of the system and by taking a new Lyapunov-Krasovsii functional. The introducedfunctional does not require bounding for cross terms, so it has less conservation. Secondly, withthe help of the obtained bounded real lemma, a sufficient condition for the existence of a newdeky-dependent H-infinity state-feedback controller is shown in terms of nonlinear matrixinequalities and the solvability of the problem can be obtained by using an iterative algorithminvolving convex optimization. Finally, numerical examples are given to demonstrate theeffectiveness of the new method presented.

Robust H-infinity fault-tolerant control for uncertain descriptor systems by dynamical compensators

The problem of robust H-infinity fault-tolerant control against sensor failures for a class of uncertain descriptor systems via dynamical compensators is considered. Based on H-infinity theory in descriptor systems, a sufficient condition for the existence of dynamical compensators with H-infinity fault-tolerant function is derived and expressions for the gain matrices in the compensators are presented. The dynamical compensator guarantees that the resultant colsed-loop system is admissible; furthermore, it maintains certain H-infinity norm performance in the normal condition as well as in the event of sensor failures and parameter uncertainties. A numerical example shows the effect of the proposed method.

Decentralized robust H-infinity descriptor output feedback control for value-bounded uncertain descriptor large-scale systems

For a class of value-bounded uncertain descriptor large-scale interconnected systems, the decentralized robust H∞ descriptor output feedback control problem is investigated. A design method based on the bounded real lemma is developed for a decentralized descriptor dynamic output feedback controller, which is reduced to a feasibility problem for a nonlinear matrix inequality （NLMI）. It is proposed to solve the NLMI iteratively by the idea of homotopy, where some of the variables are fixed alternately at each iteration to reduce the NLMI to a linear matrix inequality （LMI）. A given example shows the efficiency of this method .

Eigenstructure Assignment in a Class of Second-order Descriptor Linear Systems: A Complete Parametric Approach

In this paper eigenstructure assignment via proportional-plus-derivative feedback is investigated for a class of second-order descriptor linear systems. Under certain conditions, simple, general and complete parametric solutions of both finite closed-loop eigenvector matrices and feedback gain matrices are derived. The parametric approach utilizes directly original system data, involves manipulations only on n-dimensional matrices, and reveals all the design degrees of freedom which can be further utilized to achieve certain additional system specifications. A numerical example shows the effect of the proposed approach.

Non-fragile observer-based passive control for descriptor systems with time-delay

This paper investigates the problem of non-fragile observer-based passive control for descriptor systems with time-delay. The perturbations in both the control gain and observer gain of the observer-based controller are considered. For the cases of the additive perturbations and multiplicative perturbations, sufficient conditions are given such that the closed-loop systems are admissible and passive with dissipation η. The observer-based controller gains could be obtained from the solutions of linear matrix inequalities （LMIs）. Moreover, the maximum dissipation of the system is provided. Simulation examples are given to show the effectiveness of the deign methods.

Passivity Control for Uncertain T-S Fuzzy Descriptor Systems

By means of matrix decomposition method a criterion is presented for the admissibility of T-S fuzzy descriptor system. Then, the problem of passivity control is studied for a kind of T-S fuzzy descriptor system with uncertain parameters, and sufficient conditions which make the closed-loop system admissible and strictly passive are obtained based on linear matrix inequality (LMI). The nonstrict LMIs restricted conditions which characterize the descriptor system are transformed into strict ones, so testing admissibility and passivity of the system can be finished simultaneously. The design scheme of state feedback controller is also obtained. Finally, a numerical example is given to show the validity and feasibility of the proposed approach.