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Rare Metals 2024年第7期43卷 3107-3117页

作者： Xin-Yang liu {1.-Wei liu Gang Li {1.-Xiang Zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025China

Subnanometer metal clusters play an increasingly important role in heterogeneous catalysis due to their high catalytic activity and *** this work,by means of the density functional theory(DFT) calculations,the catalytic activities of transition metal clusters with precise numbers of atoms supported on graphdiyne(TM_(1.4)@GDY,TM=V,Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Ir,Pt) were investigated for oxygen evolution reactions(OER),oxygen reduction reactions(ORR) and hydrogen evolution reactions(HER).The computed results reveal that the Pd_(2),Pd_(4) and Pt_(1. anchored graphdiyne can serve as trifunctional catalysts for OER/ORR/HER with the overpotentials of 0.49/0.37/0.06,0.45/0.33/0.1. and 0.37/0.43/0.01.V,respectively,while Pd_(1. and Pt_(2)@graphdiyne can exhibit excellent catalytic performance for water splitting(OER/HER) with the overpotentials of 0.55/0.1. and 0.43/0.03 *** addition,Ni_(1. and Pd_(3) anchored GDY can perform as bifunctional catalysts for metal-air cells(OER/ORR) and fuels cells(ORR/HER) with the overpotentials of 0.34/0.32 and 0.42/0.04 V,***,by precisely controlling the numbers of atoms in clusters,the TM_(1.4) anchored graphdiyne can serve as promising multifunctional electrocatalysts for OER/ORR/HER,which may provide an instructive strategy to design catalysts for the energy conversation and storage devices.

关键词： Density functional theory Graphdiyne Single-cluster catalysts Multifunctional electrocatalysts Overpotential

A stable staggered-grid finite-difference scheme for acoustic modeling beyond conventional stability limit

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Petroleum Science 2024年第1期21卷 182-194页

作者： jing-Yi Xu Yang {1. National Key Laboratory of Petroleum Resources and Engineering China University of Petroleum(Beijing)Beijing 102249China China University of Petroleum(Beijing) Karamay CampusKaramay 834000XinjiangChina

Staggered-grid finite-difference(SGFD)schemes have been widely used in acoustic wave modeling for geophysical *** improved methods are proposed to enhance the accuracy of numerical ***,these methods are inevitably limited by the maximum Courant-Friedrichs-Lewy(CFL)numbers,making them unstable when modeling with large time sampling intervals or small grid *** solve this problem,we extend a stable SGFD scheme by controlling SGFD dispersion relations and maximizing the maximum CFL ***,to improve modeling stability,we minimize the error between the FD dispersion relation and the exact relation in the given wave-number region,and make the FD dispersion approach a given function outside the given wave-number area,thus breaking the conventional limits of the maximum CFL ***,to obtain high modeling accuracy,we use the SGFD scheme based on the Remez algorithm to compute the FD *** addition,the hybrid absorbing boundary condition is adopted to suppress boundary reflections and we find a suitable weighting coefficient for the proposed *** derivation and numerical modeling demonstrate that the proposed scheme can maintain high accuracy in the modeling process and the value of the maximum CFL number of the proposed scheme can exceed that of the conventional SGFD scheme when adopting a small maximum effective wavenumber,indicating that the proposed scheme improves stability during the modeling.

关键词： Acoustic wave Staggered-grid finite-difference(SGFD) modeling Courant-friedrichs-lewy(CFL)number Stability

Two Matrix Theorems Arising from Nilpotent Groups

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Algebra Colloquium 2024年第3期31卷 499-504页

作者： jing Zhao Heguo {1. School of Mathematics and Statistics Hainan University Haikou 570228China

For a nilpotent group G without π-torsion,and x,y ∈ G,if x^(n)=y^(n) for a T-number n,then x=y;if x^(m)y^(n)=y^(n)x^(m) for n-numbers m,n,then xy=*** is a wellknown result in group *** this paper,we prove two analogous theorems on matrices,which have independence ***,let m be a given positive integer and A a complex square matrix satisfying that(i)all eigenvalues of A are nonnegative,and(i)rank A^(2)=rank A;then A has a unique m-th root X with rank X^(2)=rank X,all eigenvalues of X are nonnegative,and moreover there is a polynomial f(λ)with X=f(A).In addition,let A and B be complex n×n matrices with all eigenvalues nonnegative,and rank A^(2)=rank A,rank B^(2)=rank B;then(i)A=B when A^(r)=B^(r) for some positive integer r,and(i)AB=BA when A^(s)B^(t)=B^(t)A^(s) for two positive integers s and t.

关键词： nilpotent group root matrix Chinese remainder theorem

Cordyceps as potential therapeutic agents for atherosclerosis

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Journal of Integrative Medicine 2024年第2期22卷 102-114页

作者： Yi Zhang Si-jing {1. School of Marxism Chengdu University of Traditional Chinese MedicineChengdu 61137Sichuan ProvinceChina College of Medical Technology Chengdu University of Traditional Chinese MedicineChengdu 611137Sichuan ProvinceChina Chongqing Key Laboratory of Sichuan-Chongqing Co-construction for Diagnosis and Treatment of Infectious Diseases with Integrated Chinese and Western Medicine Chengdu University of Traditional Chinese MedicineChengdu 611137Sichuan ProvinceChina

Atherosclerosis is a leading cause of mortality and morbidity *** the challenges in managing atherosclerosis,researchers continue to investigate new treatments and complementary *** is a traditional Chinese medicine that has recently gained attention as a potential therapeutic agent for *** studies have demonstrated the effectiveness of cordyceps in treating atherosclerosis through various pharmacological actions,including anti-inflammatory and antioxidant activities,lowering cholesterol,inhibiting platelet aggregation,and modulating apoptosis or autophagy in vascular endothelial ***,the current misuse of the terms cordyceps and Ophiocordyceps sinensis has caused confusion among researchers,and complicated the current academic research on *** review focuses on the chemical composition,pharmacological actions,and underlying mechanisms contributing to the anti-atherosclerotic effects of cordyceps and the mycelium of Ophiocordyceps *** review provides a resource for the research on the development of new drugs for atherosclerosis from cordyceps.

关键词： Atherosclerosis Cordyceps Ophiocordyceps sinensis

Study of deep transportation and plugging performance of deformable gel particles in porous media

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Petroleum Science 2024年第2期21卷 962-973页

作者： Wen-jing Zhao jing Wang Zhong-Yang Qi Hui-Qing liu National Key Laboratory of Petroleum Resources and Engineering China University of PetroleumBeijing102249China MOE Key Laboratory of Petroleum Engineering China University of PetroleumBeijing102249China

Deformable gel particles(DGPs) possess the capability of deep profile control and flooding. However, the deep migration behavior and plugging mechanism along their path remain unclear. Breakage, an inevitable phenomenon during particle migration, significantly impacts the deep plugging effect. Due to the complexity of the process, few studies have been conducted on this subject. In this paper, we conducted DGP flow experiments using a physical model of a multi-point sandpack under various injection rates and particle sizes. Particle size and concentration tests were performed at each measurement point to investigate the transportation behavior of particles in the deep part of the reservoir. The residual resistance coefficient and concentration changes along the porous media were combined to analyze the plugging performance of DGPs. Furthermore, the particle breakage along their path was revealed by analyzing the changes in particle size along the way. A mathematical model of breakage and concentration changes along the path was established. The results showed that the passage after breakage is a significant migration behavior of particles in porous media. The particles were reduced to less than half of their initial size at the front of the porous media. Breakage is an essential reason for the continuous decreases in particle concentration, size, and residual resistance coefficient. However, the particles can remain in porous media after breakage and play a significant role in deep plugging. Higher injection rates or larger particle sizes resulted in faster breakage along the injection direction, higher degrees of breakage, and faster decreases in residual resistance coefficient along the path. These conditions also led to a weaker deep plugging ability. Smaller particles were more evenly retained along the path, but more particles flowed out of the porous media, resulting in a poor deep plugging effect. The particle size is a function of particle size before inject

关键词： Physical simulation Deformable gel particle Breakage Particle size Residual resistance coefficient

Impact of Carbon Chain Structures in the Backbone on the Flexibility of Modified Polyarylene Sulfide Resins: Molecular Dynamics Simulations and Mesoscopic Analysis

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Chinese Journal of Polymer Science 2024年第4期42卷 544-557页

作者： Chi Zhang Rong liu {1.-Yuan liu Wen-Wei Jiang Key Laboratory of Fine Chemical Engineering and Functional Materials School of Chemical EngineeringSichuan UniversityChengdu610065China

In the domain of high-performance engineering polymers, the enhancement of mechanical flexibility in poly(phenylene sulfide) (PPS) resins has long posed a significant challenge. A novel molecular structure, designated as PP-He-IS, wherein imide rings and an aliphatic hexylene chain are covalently incorporated into the PPS backbone to enhance its flexibility, is introduced in this study. Molecular dynamics (MD) simulations are employed to systematically explore the effects of diversifying the backbone chain structures by substituting phenyl units with alkyl chains of varying lengths, referred to as PP-A-IS where “A” signifies the distinct intermediary alkyl chain configurations. Computational analyses reveal a discernable decrement in the glass transition temperature (Tg) and elastic modulus, counterbalanced by an increment in yield strength as the alkyl chain length is extended. Notably, the PP-He-IS variant is shown to exhibit superior yield strength while simultaneously maintaining reduced elastic modulus and Tg values, positioning it as an advantageous candidate for flexible PPS applications. Mesoscopic analyses further indicate that structures such as PP-He-IS, PP-Pe-IS, and PP-Bu-IS manifest remarkable flexibility, attributable to the presence of freely rotatable carbon-carbon single bonds. Experimental validation confirms that a melting temperature of 504 K which is lower than that of conventional PPS, and lower crystallinity are exhibited by PP-He-IS, thereby affording enhanced processability without compromising inherent thermal stability. Novel insights into the strategic modification of PPS for mechanical flexibility are thus furnished by this study, which also accentuates the pivotal role played by molecular dynamics simulations in spearheading high-throughput investigations in polymer material modifications.

关键词： Molecular dynamics simulations Polyarylene Sulfide Main-chain modifications Flexibility Aliphatic hexylene chain

Effect of Blood Circulation in Veins on Resonance Suppression of the Dragonfly Wing Constructed by Numerical Method

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Journal of Bionic Engineering 2024年第2期21卷 877-891页

作者： Lijun Zhang Xu Zhang Kaifei Wang Zhenwei Gan Shibo liu Xiao liu Zhengjun jing Xudong Cui Jiahui Lu jing liu College of Mechanical and Electronic Engineering China University of PetroleumQingdao266580China

To reveal the resonance suppression mechanism of the blood circulation in dragonfly wings,a numerical modeling method of dragonfly wings based on Voronoi diagrams is proposed,and the changes in mass,aerodynamic damping,and natural frequencies caused by blood circulation in veins are *** equivalent mass of blood,boundary conditions,and aerodynamic damping are calculated *** analysis and harmonic response analysis of wing models with different blood circulation paths are performed using the finite-element method(FEM).The vibration reduction ratioδis introduced to compare the damping efficiency of different mass ***,a natural frequency testing device is constructed to measure the natural frequencies of dragonfly *** results indicate that the shape,mass,and natural frequencies of the dragonfly wing model constructed by numerical method agree well with *** mass distribution on the wing can be altered by blood circulation,thereby adjusting the natural frequencies and achieving resonance *** highestδof 1.01. is observed in the C region when blood circulates solely in secondary veins,but it is still lower than theδof 1.01. when blood circulates in complete *** aerodynamic damping ratio(1.1.–1.79%)should not be neglected in the vibration analysis of the beating wing.

关键词： Dragonfly wings Blood circulation Resonance suppression Voronoi diagram FEM

Highly efficient and wearable thermoelectric composites based on carbon nanotube film/polyaniline

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Journal of Materiomics 2024年第1期10卷 173-178页

作者： jing Huang Xiaohua {1. Yong Du School of Materials Science and Engineering Shanghai Institute of Technology100 Haiquan RoadShanghai201418China

Polyaniline(PANI)was prepared by in-situ polymerization and compounded on the two-dimensional network structural multi-walled carbon nanotube film(CNTF).Compared with the CNT/PANI composites fabricated by using CNT powders or dispersions,the compact and continuous network structure of CNTF/PANI is beneficial to both the thermoelectric and mechanical properties of the *** resultant CNTF/PANI composites with PANI polymerization time of 5 h obtain an electrical conductivity of 1.38.4 S/cm and Seebeck coefficient of 63.3μV/K at 360 K,which are 1.8.7%and 5.7%higher than those of the CNTF(498.1.S/cm and 59.9μV/K at 360 K).Consequently,a maximum power factor of 536.8μW·m^(−1.·K^(−2) at 360 K is acquired,which is about 2 times higher than that of CNTF(1.1.7μW·m^(−1.·K^(−2) at 360 K).The electrical conductivity of the composites could maintain 93.3%after being bent for 500 times,indicating the excellent *** tensile strength,Young's Modulus and toughness of CNTF/PANI composites(232.3 MPa,3.6 GPa and 20.1.MJ/m^(3),respectively)are 3.5,2.6 and 2.1.times of those of the *** flexible,free-standing,lightweight and high-strength CNTF/PANI composites reveal the excellent thermoelectric performance,which are promising in the applications in wearable thermoelectric devices.

关键词： Carbon nanotube film Polyaniline Thermoelectric performance Mechanical properties

An efficient parallel algorithm of variational nodal method for heterogeneous neutron transport problems

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Nuclear Science and Techniques 2024年第4期35卷 29-45页

作者： Han Yin Xiao-jing {1. Teng-Fei Zhang School of Nuclear Science and Engineering Shanghai Jiao Tong UniversityShanghai 2002040China

The heterogeneous variational nodal method(HVNM)has emerged as a potential approach for solving high-fidelity neutron transport ***,achieving accurate results with HVNM in large-scale problems using high-fidelity models has been challenging due to the prohibitive computational *** paper presents an efficient parallel algorithm tailored for HVNM based on the Message Passing Interface *** algorithm evenly distributes the response matrix sets among processors during the matrix formation process,thus enabling independent construction without *** the formation tasks are completed,a collective operation merges and shares the matrix sets among the *** the solution process,the problem domain is decomposed into subdomains assigned to specific processors,and the red-black Gauss-Seidel iteration is employed within each subdomain to solve the response matrix ***-to-point communication is conducted between adjacent subdomains to exchange data along the *** accuracy and efficiency of the parallel algorithm are verified using the KAIST and JRR-3 test *** results obtained with multiple processors agree well with those obtained from Monte Carlo *** parallelization of HVNM results in eigenvalue errors of 31.pcm/-90 pcm and fission rate RMS errors of 1.22%/0.66%,respectively,for the 3D KAIST problem and the 3D JRR-3 *** addition,the parallel algorithm significantly reduces computation time,with an efficiency of 68.51. using 36 processors in the KAIST problem and 77.1.% using 1.4 processors in the JRR-3 problem.

关键词： Neutron transport Variational nodal method Parallelization KAIST JRR-3

Reducibility of Three Dimensional Skew Symmetric System with High Dimensional Weak Liouvillean Frequencies

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Acta Mathematica Sinica,English Series 2024年第10期40卷 2388-2410页

作者： Jie liu Yuan SHAN {1. WANG School of Mathematics and Statistics Nanjing University of Science and Technology School of Statistics and Data Science Nanjing Audit University

In this paper, we consider the reducibility of three-dimensional skew symmetric *** obtain a reducibility result if the base frequency is high-dimensional weak Liouvillean and the parameter is sufficiently small. The ... 详细信息

关键词： 34C20 37J40 high-dimensional weak Liouvillean KAM theory three dimensional skew-symmetric system