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The reformation of catalyst:From a trial-and-error synthesis to rational design

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Nano Research 2024年第4期17卷 3261-3301页

作者： Ligang wang Jiabin Wu Shunwu wang Huan Liu Yao wang Dingsheng wang Department of Chemistry Tsinghua UniversityBeijing 100084China

The appropriate catalysts can accelerate the reaction rate and effectively boost the efficient conversion of various molecules,which is of great importance in the study of chemistry,chemical industry,energy,materials and environmental ***,efficient,environmentally friendly,and easy to operate synthesis methods have been used to prepare various types of *** previous studies have reported the synthesis and characterization of the aforementioned catalysts,more still remain in trial and error methods,without in-depth consideration and improvement of traditional synthesis ***,we comprehensively summarize and compare the preparation methods of the trial-and-error synthesis strategy,structure–activity relationships and density functional theory(DFT)guided catalysts rational design for nanomaterials and atomically dispersed *** also discuss in detail the utilization of the nanomaterials and single atom catalysts for converting small molecules(H_(2)O,O_(2),CO_(2),N_(2),etc.)into value-added products driven by electrocatalysis,photocatalysis,and ***,the challenges and outlooks of mass preparation and production of efficient and green catalysts through conventional trial and error synthesis and DFT theory are featured in accordance with its current development.

关键词： trial-and-error synthesis structure–activity relationships density functional theory(DFT)guidance nanomaterials atomically dispersed catalysts

Numerical Analysis of PRISM-PY Calculations for Hard-and Soft-Core Generic Polymer Models

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Chinese Journal of Polymer Science 2024年第4期42卷 532-543页

作者： Qiang wang Department of Chemical and Biological Engineering Colorado State University1370 Campus DeliveryFort CollinsCO80523-1370USA

Generic polymer models capturing the chain connectivity and excluded-volume interactions between polymer segments can be classified, according to whether or not the 3D integral of the latter diverges, into hard- and soft-core models. Taking homogeneous systems of compressible homopolymer melts (or equivalently homopolymer solutions in an implicit, good solvent) in the continuum as an example, we recently compared the correlation effects on the structural and thermodynamic properties of the hard- and soft-core models given by the polymer reference interaction site model (PRISM) theory with the Percus-Yevick (PY) closure (Polymers 2023, 15, 1180). Here we analyzed in detail the numerical errors and behavior of the interchain pair correlation functions (PCFs) given by the PRISM-PY calculations of these models using an efficient numerical approach that we proposed. Our numerical approach has the least number of independent variables to be iteratively solved, analytically treats the discontinuities caused by the non-bonded pair potential (such as that of the hard spheres) and takes only the inverse Fourier transform of the interchain indirect PCF between polymer segments (which is continuous and decays towards 0 with increasing wavenumber much faster than both the interchain direct and total PCFs), and is essential for us to accurately solve the PRISM-PY theory for chain length N as large as 106. To capture the correlation-hole effect, the real-space cut-off in the PRISM calculations should be proportional to the square root of N.

关键词： Generic polymer models Soft potentials Polymer reference interaction site model theory

Linear-Quadratic Pareto Cooperative Game for Mean-Field Backward Stochastic System

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Journal of Systems Science & Complexity 2024年第3期37卷 947-964页

作者： wang Yu School of Control Science and Engineering Shandong UniversityJinan 250061China

This paper focuses on a Pareto cooperative differential game with a linear mean-field backward stochastic system and a quadratic form cost functional. Based on a weighted sum optimality method, the Pareto game is equivalently converted to an optimal control problem. In the first place,the feedback form of Pareto optimal strategy is derived by virtue of decoupling technology, which is represented by four Riccati equations, a mean-field forward stochastic differential equation(MF-FSDE),and a mean-field backward stochastic differential equation(MF-BSDE). In addition, the corresponding Pareto optimal solution is further obtained. Finally, the author solves a problem in mathematical finance to illustrate the application of the theoretical results.

关键词： Backward stochastic differential equation linear-quadratic control mean-field Pareto optimality

A multi-source information fusion layer counting method for penetration fuze based on TCN-LSTM

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Defence Technology（防务技术） 2024年第3期33卷 463-474页

作者： Yili wang Changsheng Li Xiaofeng wang Nanjing University of Science and Technology Nanjing 210094JiangsuChina State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

When employing penetration ammunition to strike multi-story buildings,the detection methods using acceleration sensors suffer from signal aliasing,while magnetic detection methods are susceptible to interference from ferromagnetic materials,thereby posing challenges in accurately determining the number of *** address this issue,this research proposes a layer counting method for penetration fuze that incorporates multi-source information fusion,utilizing both the temporal convolutional network(TCN)and the long short-term memory(LSTM)recurrent *** leveraging the strengths of these two network structures,the method extracts temporal and high-dimensional features from the multi-source physical field during the penetration process,establishing a relationship between the multi-source physical field and the distance between the fuze and the target plate.A simulation model is developed to simulate the overload and magnetic field of a projectile penetrating multiple layers of target plates,capturing the multi-source physical field signals and their patterns during the penetration *** analysis reveals that the proposed multi-source fusion layer counting method reduces errors by 60% and 50% compared to single overload layer counting and single magnetic anomaly signal layer counting,*** model's predictive performance is evaluated under various operating conditions,including different ratios of added noise to random sample positions,penetration speeds,and spacing between target *** maximum errors in fuze penetration time predicted by the three modes are 0.08 ms,0.12 ms,and 0.16 ms,respectively,confirming the robustness of the proposed ***,the model's predictions indicate that the fitting degree for large interlayer spacings is superior to that for small interlayer spacings due to the influence of stress waves.

关键词： Penetration fuze Temporal convolutional network(TCN) Long short-term memory(LSTM) Layer counting Multi-source fusion

FlowGANAnomaly: Flow-Based Anomaly Network Intrusion Detection with Adversarial Learning

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Chinese Journal of Electronics 2024年第1期33卷 58-71页

作者： Zeyi LI Pan wang Zixuan wang School of Computer Science Nanjing University of Posts and Telecommunications School of Modern Posts Nanjing University of Posts and Telecommunications School of Internet of Things Nanjing University of Posts and Telecommunications

In recent years, low recall rates and high dependencies on data labelling have become the biggest obstacle to developing deep anomaly detection(DAD) techniques. Inspired by the success of generative adversarial networks(GANs) in detecting anomalies in computer vision and imaging, we propose an anomaly detection model called Flow GANAnomaly for detecting anomalous traffic in network intrusion detection systems(NIDS). Unlike traditional GAN-based approaches, which are composed of a flow encoder, a convolutional encoder-decoder-encoder, a flow decoder and a convolutional encoder, the architecture of this model consists of a generator(G) and a discriminator(D).Flow GANAnomaly maps the different types of traffic feature data from separate datasets to a uniform feature space,thus can capture the normality of network traffic data more accurately in an adversarial manner to mitigate the problem of the high dependence on data labeling. Moreover, instead of simply detecting the anomalies by the output of D, we proposed a new anomaly scoring method that integrates the deviation between the output of two Gs’ convolutional encoders with the output of D as weighted scores to improve the low recall rate of anomaly detection. We conducted several experiments comparing existing machine learning algorithms and existing deep learning methods(Auto Encoder and VAE) on four public datasets(NSL-KDD, CIC-IDS2017, CIC-DDo S2019, and UNSW-NB15). The evaluation results show that Flow GANAnomaly can significantly improve the performance of anomaly-based NIDS.

关键词： Deep learning Machine learning algorithms Computational modeling Network intrusion detection Imaging Telecommunication traffic Generative adversarial networks

Framework for Preventive Control of Power Systems to Defend Against Extreme Events

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 856-870页

作者： Yuwei Xiang Tong wang Zengping wang State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources North China Electric Power UniversityBeijing 102206China

Enhancing power system resilience against extreme events is becoming increasingly critical. This paper discusses a unified framework for preventive control of power systems to enhance system resilience, which includes three parts: resilience assessment, resilience grading, and resilience enhancement. First, the resilience assessment contains facility-level and system-level resilience assessment. The concept of fragility curve is used in the facility-level resilience assessment. Various resilience indices are developed in system-level resilience assessment to roundly depict the impacts of extreme events on power systems and determine the system resilience. On this basis, the resilience is divided into different levels by resilience grading strategy, which can efficiently quantify the severity of the impact of extreme events and provide decision-making for the resilience enhancement strategies. Then, control strategies for enhancing power system resilience are also divided according to different resilience levels. A controlled islanding based preventive control is proposed to enhance system resilience, which aims to strengthen the first defensive line of power systems to deal with extreme events. Finally, taking the typhoon disaster in extreme events as an example, two tests carried out with two typhoons demonstrate the efficiency of the proposed method.

关键词： Controlled islanding extreme events power system resilience preventive control

Assessment of tree-ring mercury radial translocation and age effect in Masson pine:Implications for historical atmospheric mercury reconstruction

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Journal of Environmental Sciences 2024年第4期138卷 266-276页

作者： Xu Liu Xun wang Dingyong wang College of Resources and Environment Southwest UniversityChongqing 400715China State Key Laboratory of Environmental Geochemistry Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China

The tree ring has been regarded as an emerging archive to reconstruct historical atmospheric mercury(Hg)trends,but with the large knowledge gaps in the *** this study,we comprehensively evaluated the Hg source,radial translocation and age effect of Masson pine(Pinus massoniana)tree ring at *** in Chongqing,to assess the suitability of such tree ring as the archive of atmospheric *** showed that distinct variabilities among Masson pine tree-ring Hg concentration *** Hg concentration significantly increased along with stem height(P<0.05),indicating the Hg in tree rings mainly derived from foliage uptake atmospheric *** found a distinct age effect that the tree ring of young trees had the higher Hg ***,we used the advection-diffusion model to demonstrate how Hg concentration shifted by the advection or/and diffusion in tree *** modeling results showed that the advection induced radial translocation during the young growth period of tree was a plausible mechanism to result in the tree-ring Hg record largely different from the trend of anthropogenic Hg emissions in *** finally suggest that in further Hg dendrochemistry,better discarding the tree-ring Hg profile of the young growth period to reduce impacts of the radial translocation and age effect.

关键词： Masson pine Tree-ring mercury Radial translocation Tree age effect

Toward tunable shape memory effect of NiTi alloy by grain size engineering:A phase field study

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Journal of Materials Science & Technology 2024年第1期168卷 276-289页

作者： Bo Xu Chong wang Qingyuan wang Failure Mechanics and Engineering Disaster Prevention Key Laboratory of Sichuan ProvinceSichuan UniversityChengdu 610065China Department of Mechanical Science and Engineering College of Architecture and EnvironmentSichuan UniversityChengdu 610065China Key Laboratory of Deep Underground Science and Engineering (Sichuan University)Ministry of EducationChengdu 610065China

The inelastic deformations of shape memory alloys(SMAs)always show poor controllability due to the avalanche-like martensite transformation,and the effective control for the deformation of precision de-vices has been not yet *** this work,the phase field method was used to investigate the shape memory effects(SMEs)of NiTi SMAs undergoing grain size(GS)engineering,to obtain tunable one-way and stress-assisted two-way SMEs(OWSME and SATWSME).The OWSME and SATWSME of the systems with various gradient-nanograin structures and bimodal grain structure,as well as that with geometric gradients were *** simulated results indicate that due to the GS dependences of martensite transformation and reorientation,the occurrence and expansion of martensite reorientation,martensite transformation and its reverse can be efficaciously controlled via the GS *** combining the GS engineering and geometric gradient design,since the effects of GS and stress gradient can be su-perimposed or competing,and the responses of martensite reorientation,martensite transformation and its reverse to this are different,the OWSME and SATWSME of the geometrically graded systems with various nanograin structures can exhibit different improvements in *** short,the reorienta-tion hardening modulus during OWSME is increased and the transformation temperature window during SATWSME is widened by GS engineering,indicating the improved controllability of *** optimal GS engineering schemes revealed in this work provide the basic reference and guidance for designing tun-able SMEs and producing NiTi-based driving devices catering to desired functional performance in various engineering fields.

关键词： Phase field NiTi Shape memory effect Grain size engineering Geometric gradient

Sub-Nyquist sampling-based wideband spectrum sensing:a compressed power spectrum estimation approach

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Frontiers of Computer Science 2024年第2期18卷 139-145页

作者： Jilin wang Yinsen HUANG Bin wang National Key Laboratory of Science and Technology on Communications University of Electronic Science and Technology of ChinaChengdu 611731China

In this paper,we introduce a sub-Nyquist sampling-based receiver architecture and method for wideband spectrum *** of recovering the original wideband analog signal,the proposed method aims to directly reconstruct the power spectrum of the wideband analog signal from sub-Nyquist *** that power spectrum alone is sufficient for wideband spectrum *** only the covariance matrix of the wideband signal is needed,the proposed method,unlike compressed sensing-based methods,does not need to impose any sparsity requirement on the frequency *** proposed method is based on a multi-coset sampling *** exploiting the inherent sampling structure,a fast compressed power spectrum estimation method whose primary computational task consists of fast Fourier transform(FFT)is *** results are presented to show the effectiveness of the proposed method.

关键词： wideband spectrum sensing sub-Nyquist multicoset sampling FCPSE