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Analysis of pseudo-random number generators in QMC-SSE method

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Chinese Physics B 2024年第3期33卷 75-79页

作者：刘东旭徐维张学锋 Department of Physics Chongqing UniversityChongqing 401331China

In the quantum Monte Carlo(QMC)method,the pseudo-random number generator(PRNG)plays a crucial role in determining the computation ***,the hidden structure of the PRNG may lead to serious issues such as the breakdown of the Markov ***,we systematically analyze the performance of different PRNGs on the widely used QMC method known as the stochastic series expansion(SSE)*** quantitatively compare them,we introduce a quantity called QMC efficiency that can effectively reflect the efficiency of the *** testing several representative observables of the Heisenberg model in one and two dimensions,we recommend the linear congruential generator as the best choice of *** work not only helps improve the performance of the SSE method but also sheds light on the other Markov-chain-based numerical algorithms.

关键词： stochastic series expansion quantum Monte Carlo pseudo-random number generator

Glycine Attenuates Myocardial Fibrosis in Myocardial Infarction in Rats Partly through Modulating Signal Transducer and Activator of Transcription 3/Nuclear Factor-κB/Transforming Growth Factor-β axis

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World Journal of Traditional Chinese Medicine 2024年第2期10卷 263-270页

作者： Ning Li Yong Wang Chun Li Xu Chen xue-feng zhang Nan Nan Tan Yi-Qin Hong Ming-Yan Shao Bing-Hua Tang Dong-Qing Guo School of Life Science Beijing University of Chinese MedicineBeijingChina College of Traditional Chinese Medicine Beijing University of Chinese MedicineBeijingChina Modern Research Center of Traditional Chinese Medicine School of Traditional Chinese Material MedicaBeijing University of Chinese MedicineBeijingChina

Objective: Inflammation and fibrosis are strongly associated with each other. Glycine is present in various traditional Chinese medicines and exhibits anti-inflammatory activity. However, the effects of glycine on myocardial fibrosis(MF) in rats with myocardial infarction(MI) have not been reported. The purpose of this study is to investigate the effects of glycine therapy on MF and comprehend its underlying mechanisms. Materials and Methods: Left anterior descending artery ligation-induced MI in Sprague Dawley rats was leveraged to assess the therapeutic effects of Glycine. Rats received either normal saline or glycine(0.5 mg/g bodyweight) for 7 days. Results: Glycine upregulated cardiac ejection fraction and fractional shortening to improve cardiac function, as evaluated by echocardiography. Histological and immunohistochemical analyses demonstrated that glycine could decrease inflammatory cell infiltration and alleviate collagen deposition. Western blotting revealed that nuclear factor-κB(NF-κB)-mediated inflammatory signaling was also downregulated by glycine treatment. The expression of signal transducer and activator of transcription 3(STAT3), tumor necrosis factor-α, and transforming growth factor-β(TGF-β) was decreased significantly in the glycine-treated group compared to the model group. Thus, glycine plays a protective role against myocardial ischemia and subsequent MF. Conclusion: The protective effects of glycine were achieved partly through STAT3/NF-κB/TGF-β signaling pathway.

关键词： Glycine myocardial fibrosis signal transducer and activator of transcription 3/nuclear factor-κB/transforming growth factor-β

Heterostructured Co_(3)O_(4)-SnO_(2)composites containing oxygen vacancy with high activity and recyclability toward NH_(3)BH_(3)dehydrogenation

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Rare Metals 2023年第9期42卷 3013-3023页

作者： Hui-Ze Wang You-Xiang Shao Yu-Fa feng Yu-Jie Tan Qing-Yu Liao Xiao-Dong Chen xue-feng zhang Zhao-Hui Guo Hao Li School of Chemistry and Materials Engineering Huizhou UniversityHuizhou516007China Guangdong Provincial Key Laboratory for Electronic Functional Materials and Devices Huizhou UniversityHuizhou516007China

Ammonia borane(NH_(3)BH_(3),AB)has been regarded as a promising chemical hydrogen storage material owing to its high hydrogen density and superior ***,the development of low-cost and high-efficient heterogeneous catalysts for the dehydrogenation of AB has attracted considerable scholarly *** this study,heterostructured Co_(3)O_(4)-SnO_(2)catalysts containing oxygen vacancy(V_(o))with different Co/Sn atomic ratios(designated as V_(o)-Co-Sn_(5:x))were synthesized via a simple coprecipitation-calcination method under mild reaction *** catalyst containing an optimized Co/Sn atomic ratio of 5:2(V_(o)-Co-Sn_(5:2))exhibited robust catalytic performance with a turnover frequency value of 17.6mol_(H2)·mol^(-1)_(metal)·min^(-1).Moreover,82.6%of the original activity of the catalyst was retained after 14 catalytic cycles,indicating the high stability of the *** characterization combined with the density functional theory(DFT)calculation confirmed the transfer of electrons from Co_(3)O_(4)to Sn O_(2)and the distribution of the separated charges on SnO_(2)-Co_(3)O_(4)*** transfer of electrons and the distribution of charges facilitated the adsorption and activation of water on the catalyst,thus accelerating the dissociation of H_(2)O molecule(the ratedetermining step of AB hydrolysis).It was found that the V_(o)adjusted the electron structure of the catalysts rather than acted as active *** findings will provide researchers with useful information for designing cheap and highly efficient catalysts for catalytic AB hydrolysis.

关键词： Ammonia borane(AB) Cobalt-tin composite oxide Heterocatalysis Hydrogen production Oxygen vacancy

Self-Powered Flexible Multicolor Electrochromic Devices for Information Displays

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Research 2024年第2期2023卷 529-540页

作者： Wenzhao xue Yun zhang feng Liu Yao Dou Mei Yan Wenshou Wang School of Chemistry and Chemical Engineering University of JinanJinan 250022P.R.China

The development of self-powered flexible multicolor electrochromic(EC)systems that could switch different color without an external power supply has remained extremely ***,a new trilayer film structure for achieving self-powered flexible multicolor EC displays based on self-charging/discharging mechanism is proposed,which is simply assembled by sandwiching an ionic gel film between 2 cathodic nickel hexacyanoferrate(NiHCF)and Prussian blue(PB)nanoparticle films on indium tin oxide *** display exhibits independent self-powered color switching of NiHCF and PB films with fast responsive time and high reversibility by selectively connecting the Al wire as anodes with the 2 EC *** switching is thus achieved through a color overlay effect by superimposing the 2 EC films,including green,blue,yellow,and *** bleaching/coloration process of the displays is driven by the discharging/self-charging mechanism for NiHCF and PB films,respectively,ensuring the self-powered color switching of the displays reversibly without an external power *** is further demonstrated that patterns can be easily created in the self-powered EC displays by the spray-coating method,allowing multicolor changing to convey specific ***,a self-powered ionic writing board is demonstrated based on the self-powered EC displays that can be repeatedly written freehand without the need of an external power *** believe that the design concept may provide new insights into the development of self-powered flexible multicolor EC displays with self-recovered energy for widespread applications.

关键词： connecting repeatedly powered

A gating ultramicroporous metal-organic framework showing high adsorption selectivity,capacity and rate for xylene separation

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Science China Chemistry 2022年第8期65卷 1552-1558页

作者： Zi-Ming Ye xue-feng zhang De-Xuan Liu Yan-Tong Xu Chao Wang Kai Zheng Dong-Dong Zhou Chun-Ting He Jie-Peng zhang Key Laboratory of Bioinorganic and Synthetic Chemistry(Ministry of Education) School of ChemistrySun Yat-Sen UniversityGuangzhou 510275China Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education/National Engineering Research Center for Carbohydrate Synthesis Jiangxi Normal UniversityNanchang 330022China 3.Guangdong Provincial Key Laboratory of New and Renewable Energy Research and DevelopmentGuangzhou Institute of Energy ConversionChinese Academy of SciencesGuangzhou 510640China

Adsorptive separation of p-xylene(pX)from xylene isomers is a key process in chemical industry,but known adsorbents cannot simultaneously achieve high adsorption selectivity,capacity,and ***,we demonstrate gating ultramicropore as a solution for this *** modification of the synthetic condition gives rise to isomeric metal-organic frameworksα-[Zn(pba)](MAF-88,H2pba=4-(1H-pyrazol-4-yl)benzoic acid)andβ-[Zn(pba)](MAF-89)possessing similar pillared-column structures,porosities,and high pX capacities of 2.0 mmol g^(−1),but very different framework/pore topologies,pore sizes,and pX *** binary and ternary mixtures of liquid xylene isomers,MAF-88 with narrow one-dimensional(1D)channels shows pX selectivity of 11 and 1.6,while MAF-89 with 3D-connected quasi-discrete pores shows pX selectivity up to 221 and 46,***,differential scanning calorimetry,and time-dependent separation experiments reveal that the kinetic effects of the gating pores play more important roles than the thermodynamic effects,which is further confirmed by single-crystal X-ray diffraction and computational simulations.

关键词： metal-organic frameworks gating xylene adsorption separation

Exceptional electrostrain with minimal hysteresis and superior temperature stability under low electric field in KNN-based lead-free piezoceramics

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Journal of Advanced Ceramics 2024年第3期13卷 364-372页

作者： Huan Liu Yijin Hao Ziqi Yang Tianyi feng Bin Su Xin zhang Mengping xue Bo-Ping zhang Jing-feng Li Beijing Municipal Key Laboratory of New Energy Materials and Technologies School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

Over the past two decades,(K_(0.5)Na_(0.5))NbO_(3)(KNN)-based lead-free piezoelectric ceramics have made significant ***,attaining a high electrostrain with remarkable temperature stability and minimal hysteresis under low electric fields has remained a significant *** address this long-standing issue,we have employed a collaborative approach that combines defect engineering,phase engineering,and relaxation *** LKNNS-6BZH ceramic,when sintered at T_(sint)=1170℃,demonstrates an impressive electrostrain with a d_(33) value of 0.276%and 1379 pm·V^(-1)under 20 kV·cm^(-1),which is comparable to or even surpasses that of other lead-free and Pb(Zr,Ti)O_(3)***,the electrostrain performance of this ceramic remains stable up to a temperature of 125℃,with the lowest hysteresis observed at 9.73%under 40 kV·cm^(-1).These excellent overall performances are attributed to the presence of defect dipoles involving V′_(A)-V∙∙_(O) and B′_(Nb)-V∙∙O,the coexistence of R-O-T multiphase,and the tuning of the trade-off between long-range ordering and local *** work provides a lead-free alternative for piezoelectric actuators and a paradigm for designing piezoelectric materials with outstanding comprehensive performance under low electric fields.

关键词： lead-free piezoelectric ceramics temperature stability electrostrain potassium sodium niobate low hysteresis

Disclosing the active integration structure and robustness of a pseudo-tri-component electrocatalyst toward alkaline hydrogen evolution

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Journal of Energy Chemistry 2022年第9期31卷 210-216,I0007页

作者： Hong-Hong Zou Wan-Qing Li Cong-Hu Song Li-Ming Cao xue-feng zhang Xuan-Yi Zhu Zi-Yi Du Jia zhang Sheng-Liang Zhong Chun-Ting He Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education and College of Life ScienceJiangxi Normal UniversityNanchang 330022JiangxiChina Research Center for Ultrafine Powder Materials College of Chemistry and Chemical EngineeringJiangxi Normal UniversityNanchang 330022JiangxiChina

Designing multicomponent integration catalysts(MICs)has been a promising strategy for improving electrocatalytic hydrogen evolution reaction(HER)due to the highly active interfaces as well as electronic ***,many fundamental questions such as their actual active species and the influence on long-term stability remain to be ***,we present the structural evolution from a pseudotri-component electrocatalyst of nitrogen-doped carbon supported nickel/vanadium nitride/vanadium oxide(Ni-VN-V_(2)O_(3)/NC)nanorods to the heterostructural nickel/vanadium nitride(Ni-VN/NC)nanosheets during chemical or electrochemical *** self-reconstructed Ni-VN/NC exhibits a robust stability under alkaline conditions,while maintaining initial efficient HER activity with a low overpotential of 76 mV at the current density of 10 mA cm^(-2).Theoretical calculations and quasi-in-situ spectroscopic technology unveil the redistribution of electrons on the synergistic active interface,which synchronously optimizes the affinities for hydrogen,hydroxide,and water molecules,thereby remarkably accelerating the HER kinetics by reducing the barrier of Volmer step.

关键词： Hydrogen evolution reaction Multicomponent integration catalysts Structural transformation Electrocatalysis Density functional theory

A hybrid spatial-temporal deep learning prediction model of industrial methanol-to-olefins process

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Frontiers of Chemical Science and Engineering 2024年第4期18卷 73-85页

作者： Jibin Zhou xue Li Duiping Liu feng Wang Tao zhang Mao Ye Zhongmin Liu National Engineering Research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Yulin Innovation Institute for Clean Energy Clean Energy Innovation Institute of Chinese Academy of SciencesYulin 719053China xuelang Industrial Intelligence Technology Co. Ltd.Wuxi 214000China

Methanol-to-olefins,as a promising non-oil pathway for the synthesis of light olefins,has been successfully *** accurate prediction of process variables can yield significant benefits for advanced process control and *** challenge of this task is underscored by the failure of traditional methods in capturing the complex characteristics of industrial processes,such as high nonlinearities,dynamics,and data distribution shift caused by diverse operating *** this paper,we propose a novel hybrid spatial-temporal deep learning prediction model to address these ***,a unique data normalization technique called reversible instance normalization is employed to solve the problem of different data ***,convolutional neural network integrated with the self-attention mechanism are utilized to extract the temporal ***,a multi-graph convolutional network is leveraged to model the spatial ***,the extracted temporal and spatial features are fused as input into a fully connected neural network to complete the ***,the outputs are denormalized to obtain the ultimate *** monitoring results of the dynamic trends of process variables in an actual industrial methanol-to-olefins process demonstrate that our model not only achieves superior prediction performance but also can reveal complex spatial-temporal relationships using the learned attention matrices and adjacency matrices,making the model more ***,this model is deployed onto an end-to-end Industrial Internet Platform,which achieves effective practical results.

关键词： methanol-to-olefins process variables prediction spatial-temporal self-attention mechanism graph convolutional network

Multi-focus image fusion based on fractional-orderderivative and intuitionistic fuzzy sets

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Frontiers of Information Technology & Electronic Engineering 2020年第6期21卷 834-843页

作者： xue-feng zhang Hui YAN Hao HE School of Sciences Northeastern UniversityShenyang 110819China

Multi-focus image fusion is an increasingly important component in image fusion,and it plays a key role in *** this paper,we put forward a novel multi-focus image fusion method which employs fractional-order derivative and intuitionistic fuzzy *** original image is decomposed into a base layer and a detail ***,a new fractional-order spatial frequency is built to reflect the clarity of the *** fractional-order spatial frequency is used as a rule for detail layers fusion,and intuitionistic fuzzy sets are introduced to fuse base *** results demonstrate that the proposed fusion method outperforms the state-of-the-art methods for multi-focus image fusion.

关键词： Image fusion Fractional-order derivative Intuitionistic fuzzy sets Multi-focus images