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Development of diabetic complications and influencing factors among 32653 type 2 diabetes patients:retrospective cohort study using a multi-state Markov
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作者 Shu-Yuan Shi Hou-Yu Zhao +5 位作者 Zhi-Ke Liu Ruo-Gu Meng Peng Shen Si-Yan Zhan Hong-Bo Lin Feng Sun 《Medical Data Mining》 2024年第2期1-8,共8页
Background:Patients with type 2 diabetes are at high risk for developing multiple chronic complications.However,there is a lack of studies of the cumulative number of diabetic complications in China.Methods:A retrospe... Background:Patients with type 2 diabetes are at high risk for developing multiple chronic complications.However,there is a lack of studies of the cumulative number of diabetic complications in China.Methods:A retrospective cohort study was performed from 2009 to 2021.Type 2 diabetes patients who were first diagnosed after the age of 35 years between January 1,2009,and December 31,2017,were included.Five states were defined according to the number of chronic complications:no(S0),one(S1),two(S2),three(S3),and four or more complications(S4).A multi-state Markov model was constructed to estimate transition probability,transition intensity,mean sojourn time,and the possible factors for each state.Results:The study included 32653 type 2 diabetes patients(mean age,59.59 years;15929(48.8%)male),and mean follow-up time of 7.75 years.In all,4375 transitions were observed.The 12-year transition probability of from state S0 to S1 was the lowest at 16.4%,while that from S2 to S3 was the highest,at 45.6%.Higher fasting blood glucose,lower high-density lipoprotein cholesterol,higher total cholesterol,and an unhealthy diet were associated with higher risk of progression from S0 to S1.Being female,less than 60 years old,weekly physical activity,and vegetarian diet decreased this risk.Being female and less than 60 years old reduced the likelihood of transition from S1 to S2,whereas lower high-density lipoprotein cholesterol increased this likelihood.Conclusions:Following the occurrence of two complications in type 2 diabetes patients,the risk for accumulating a third complication within a short time is significantly increased.It is important to take advantage of the stable window period when patients have fewer than two complications,strengthen the monitoring of blood glucose and blood lipids,and encourage patients to maintain good living habits to prevent further deterioration. 展开更多
关键词 multi-state Markov model transition probability type 2 diabetes diabetic chronic complications
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A Two-Step Algorithm to Estimate Variable Importance for Multi-State Data:An Application to COVID-19
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作者 Behnaz Alafchi Leili Tapak +2 位作者 Hassan Doosti Christophe Chesneau Ghodratollah Roshanaei 《Computer Modeling in Engineering & Sciences》 SCIE EI 2023年第6期2047-2064,共18页
Survival data with amulti-state structure are frequently observed in follow-up studies.An analytic approach based on a multi-state model(MSM)should be used in longitudinal health studies in which a patient experiences... Survival data with amulti-state structure are frequently observed in follow-up studies.An analytic approach based on a multi-state model(MSM)should be used in longitudinal health studies in which a patient experiences a sequence of clinical progression events.One main objective in the MSM framework is variable selection,where attempts are made to identify the risk factors associated with the transition hazard rates or probabilities of disease progression.The usual variable selection methods,including stepwise and penalized methods,do not provide information about the importance of variables.In this context,we present a two-step algorithm to evaluate the importance of variables formulti-state data.Three differentmachine learning approaches(randomforest,gradient boosting,and neural network)as themost widely usedmethods are considered to estimate the variable importance in order to identify the factors affecting disease progression and rank these factors according to their importance.The performance of our proposed methods is validated by simulation and applied to the COVID-19 data set.The results revealed that the proposed two-stage method has promising performance for estimating variable importance. 展开更多
关键词 multi-state data deviance residual martingale residual gradient boosting randomforest neural network variable importance variable selection
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Assessment of Wet Season Precipitation in the Central United States by the Regional Climate Simulation of the WRFG Member in NARCCAP and Its Relationship with Large-Scale Circulation Biases 被引量:1
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作者 Yating ZHAO Ming XUE +2 位作者 Jing JIANG Xiao-Ming HU Anning HUANG 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2024年第4期619-638,共20页
Assessment of past-climate simulations of regional climate models(RCMs)is important for understanding the reliability of RCMs when used to project future regional climate.Here,we assess the performance and discuss pos... Assessment of past-climate simulations of regional climate models(RCMs)is important for understanding the reliability of RCMs when used to project future regional climate.Here,we assess the performance and discuss possible causes of biases in a WRF-based RCM with a grid spacing of 50 km,named WRFG,from the North American Regional Climate Change Assessment Program(NARCCAP)in simulating wet season precipitation over the Central United States for a period when observational data are available.The RCM reproduces key features of the precipitation distribution characteristics during late spring to early summer,although it tends to underestimate the magnitude of precipitation.This dry bias is partially due to the model’s lack of skill in simulating nocturnal precipitation related to the lack of eastward propagating convective systems in the simulation.Inaccuracy in reproducing large-scale circulation and environmental conditions is another contributing factor.The too weak simulated pressure gradient between the Rocky Mountains and the Gulf of Mexico results in weaker southerly winds in between,leading to a reduction of warm moist air transport from the Gulf to the Central Great Plains.The simulated low-level horizontal convergence fields are less favorable for upward motion than in the NARR and hence,for the development of moist convection as well.Therefore,a careful examination of an RCM’s deficiencies and the identification of the source of errors are important when using the RCM to project precipitation changes in future climate scenarios. 展开更多
关键词 NARCCAP Central United states PRECIPITATION low-level jet large-scale environment diurnal variation
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Semi-analytical solution for drained expansion analysis of a hollow cylinder of critical state soils 被引量:1
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作者 He Yang Jialiang Zhang +1 位作者 Haisui Yu Peizhi Zhuang 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2024年第6期2326-2340,共15页
The expansion of a thick-walled hollow cylinder in soil is of non-self-similar nature that the stress/deformation paths are not the same for different soil material points.As a result,this problem cannot be solved by ... The expansion of a thick-walled hollow cylinder in soil is of non-self-similar nature that the stress/deformation paths are not the same for different soil material points.As a result,this problem cannot be solved by the common self-similar-based similarity techniques.This paper proposes a novel,exact solution for rigorous drained expansion analysis of a hollow cylinder of critical state soils.Considering stress-dependent elastic moduli of soils,new analytical stress and displacement solutions for the nonself-similar problem are developed taking the small strain assumption in the elastic zone.In the plastic zone,the cavity expansion response is formulated into a set of first-order partial differential equations(PDEs)with the combination use of Eulerian and Lagrangian descriptions,and a novel solution algorithm is developed to efficiently solve this complex boundary value problem.The solution is presented in a general form and thus can be useful for a wide range of soils.With the new solution,the non-self-similar nature induced by the finite outer boundary is clearly demonstrated and highlighted,which is found to be greatly different to the behaviour of cavity expansion in infinite soil mass.The present solution may serve as a benchmark for verifying the performance of advanced numerical techniques with critical state soil models and be used to capture the finite boundary effect for pressuremeter tests in small-sized calibration chambers. 展开更多
关键词 Cavity expansion Drained analysis Boundary effect Critical state soil Non-self-similar Eulerian-Lagrangian approach
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Whole-process case management effects on mental state and selfcare ability in patients with liver cancer 被引量:1
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作者 Man-Di Ju Qin Qin Meng Li 《World Journal of Gastrointestinal Surgery》 SCIE 2024年第3期833-841,共9页
BACKGROUND Regarding the incidence of malignant tumors in China,the incidence of liver cancer ranks fourth,second only to lung,gastric,and esophageal cancers.The case fatality rate ranks third after lung and cervical ... BACKGROUND Regarding the incidence of malignant tumors in China,the incidence of liver cancer ranks fourth,second only to lung,gastric,and esophageal cancers.The case fatality rate ranks third after lung and cervical cancer.In a previous study,the whole-process management model was applied to patients with breast cancer,which effectively reduced their negative emotions and improved treatment adherence and nursing satisfaction.METHODS In this single-center,randomized,controlled study,60 randomly selected patients with liver cancer who had been admitted to our hospital from January 2021 to January 2022 were randomly divided into an observation group(n=30),who received whole-process case management on the basis of routine nursing mea-sures,and a control group(n=30),who were given routine nursing measures.We compared differences between the two groups in terms of anxiety,depression,the level of hope,self-care ability,symptom distress,sleep quality,and quality of life.RESULTS Post-intervention,Hamilton anxiety scale,Hamilton depression scale,memory symptom assessment scale,and Pittsburgh sleep quality index scores in both groups were lower than those pre-intervention,and the observation group had lower scores than the control group(P<0.05).Herth hope index,self-care ability assessment scale-revision in Chinese,and quality of life measurement scale for patients with liver cancer scores in both groups were higher than those pre-intervention,with higher scores in the observation group compared with the control group(P<0.05).CONCLUSION Whole-process case management can effectively reduce anxiety and depression in patients with liver cancer,alleviate symptoms and problems,and improve the level of hope,self-care ability,sleep quality,and quality of life,as well as provide feasible nursing alternatives for patients with liver cancer. 展开更多
关键词 Liver cancer Mental state Self-care ability Whole-process case management Life quality NURSING
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Geometric Error Identification of Gantry-Type CNC Machine Tool Based on Multi-Station Synchronization Laser Tracers
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作者 Jun Zha Huijie Zhang 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2024年第2期150-162,共13页
Laser tracers are a three-dimensional coordinate measurement system that are widely used in industrial measurement.We propose a geometric error identification method based on multi-station synchronization laser tracer... Laser tracers are a three-dimensional coordinate measurement system that are widely used in industrial measurement.We propose a geometric error identification method based on multi-station synchronization laser tracers to enable the rapid and high-precision measurement of geometric errors for gantry-type computer numerical control(CNC)machine tools.This method also improves on the existing measurement efficiency issues in the single-base station measurement method and multi-base station time-sharing measurement method.We consider a three-axis gantry-type CNC machine tool,and the geometric error mathematical model is derived and established based on the combination of screw theory and a topological analysis of the machine kinematic chain.The four-station laser tracers position and measurement points are realized based on the multi-point positioning principle.A self-calibration algorithm is proposed for the coordinate calibration process of a laser tracer using the Levenberg-Marquardt nonlinear least squares method,and the geometric error is solved using Taylor’s first-order linearization iteration.The experimental results show that the geometric error calculated based on this modeling method is comparable to the results from the Etalon laser tracer.For a volume of 800 mm×1000 mm×350 mm,the maximum differences of the linear,angular,and spatial position errors were 2.0μm,2.7μrad,and 12.0μm,respectively,which verifies the accuracy of the proposed algorithm.This research proposes a modeling method for the precise measurement of errors in machine tools,and the applied nature of this study also makes it relevant both to researchers and those in the industrial sector. 展开更多
关键词 Multi-point positioning multi-station synchronization CNC machine tool Geometric error Error separation
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Machine-learning-assisted efficient reconstruction of the quantum states generated from the Sagnac polarization-entangled photon source
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作者 毛梦辉 周唯 +3 位作者 李新慧 杨然 龚彦晓 祝世宁 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期50-54,共5页
Neural networks are becoming ubiquitous in various areas of physics as a successful machine learning(ML)technique for addressing different tasks.Based on ML technique,we propose and experimentally demonstrate an effic... Neural networks are becoming ubiquitous in various areas of physics as a successful machine learning(ML)technique for addressing different tasks.Based on ML technique,we propose and experimentally demonstrate an efficient method for state reconstruction of the widely used Sagnac polarization-entangled photon source.By properly modeling the target states,a multi-output fully connected neural network is well trained using only six of the sixteen measurement bases in standard tomography technique,and hence our method reduces the resource consumption without loss of accuracy.We demonstrate the ability of the neural network to predict state parameters with a high precision by using both simulated and experimental data.Explicitly,the mean absolute error for all the parameters is below 0.05 for the simulated data and a mean fidelity of 0.99 is achieved for experimentally generated states.Our method could be generalized to estimate other kinds of states,as well as other quantum information tasks. 展开更多
关键词 machine learning state estimation quantum state tomography polarization-entangled photon source
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Target layer state estimation in multi-layer complex dynamical networks considering nonlinear node dynamics
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作者 吴亚勇 王欣伟 蒋国平 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期245-252,共8页
In many engineering networks, only a part of target state variables are required to be estimated.On the other hand,multi-layer complex network exists widely in practical situations.In this paper, the state estimation ... In many engineering networks, only a part of target state variables are required to be estimated.On the other hand,multi-layer complex network exists widely in practical situations.In this paper, the state estimation of target state variables in multi-layer complex dynamical networks with nonlinear node dynamics is studied.A suitable functional state observer is constructed with the limited measurement.The parameters of the designed functional observer are obtained from the algebraic method and the stability of the functional observer is proven by the Lyapunov theorem.Some necessary conditions that need to be satisfied for the design of the functional state observer are obtained.Different from previous studies, in the multi-layer complex dynamical network with nonlinear node dynamics, the proposed method can estimate the state of target variables on some layers directly instead of estimating all the individual states.Thus, it can greatly reduce the placement of observers and computational cost.Numerical simulations with the three-layer complex dynamical network composed of three-dimensional nonlinear dynamical nodes are developed to verify the effectiveness of the method. 展开更多
关键词 multi-layer complex dynamical network nonlinear node dynamics target state estimation functional state observer
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Screening of Rodents from Rural Communities of Lagos and Ogun State Nigeria of Lassa Virus RNA
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作者 Fatai Sarafa Emmanuel Tochukwu Onyeje +3 位作者 Joseph Ojonugwa Shaibu Olumuyiwa Babalola Salu Rosemary Ajuma Audu Sunday Aremu Omilabu 《Open Journal of Medical Microbiology》 2024年第2期120-130,共11页
Background: In recent times, there has been an increase in the number of Lassa fever cases resulting from the several episodes of Lassa fever epidemics ravaging Nigeria and other West African countries. The presence o... Background: In recent times, there has been an increase in the number of Lassa fever cases resulting from the several episodes of Lassa fever epidemics ravaging Nigeria and other West African countries. The presence of Lassa virus in rodents other than the major reservoir (Mastomys natalensis) has been a public health concern as to the actual burden of the disease. It is therefore of a public health necessity to explore the LASV RNA habouring potential of several species of rodents in endemic as well as non-endemic areas for proper prevention of emergence of outbreaks in non-endemic areas. Objectives: The aim of this study was to detect the presence of LASV RNA in different species of rodents in Ikorodu, Lagos state and Abeokuta, Ogun state. Methods: A total of ninety one (91) rodents were captured from Ikorodu, Lagos State (61 rodents) and Abeokuta, Ogun State (30 rodents), euthanized, bled, and plasma obtained for the detection of LASV RNA by Reverse Transcriptase Polymerase Chain Reaction. Results: A total of 91 rodents consisting of 77 Rattus rattus and 14 Crocidura spp. The S segment of LASV RNA was not in any of the 91 rodents’ plasma samples. Conclusion: The rodents captured within the rural communities of Ikorodu, Lagos State and Abeokuta, Ogun State were found not to habour the LASV RNA. This study is limited by the relatively small sample size. Similar studies should be encouraged both in endemic and non-endemic areas in order to understand the actual burden of Lassa fever as well as put into check future epidemics. 展开更多
关键词 Lassa Virus Lassa Fever Mastomys natalensis TRANSMISSION Lagos state Ogun state
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Topological edge and corner states of valley photonic crystals with zipper-like boundary conditions
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作者 沈云峰 许孝芳 +2 位作者 孙铭 周文佶 常雅箐 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期480-491,共12页
We present a stable valley photonic crystal(VPC)unit cell with C_(3v)symmetric quasi-ring-shaped dielectric columns and realize its topological phase transition by breaking mirror symmetry.Based on this unit cell stru... We present a stable valley photonic crystal(VPC)unit cell with C_(3v)symmetric quasi-ring-shaped dielectric columns and realize its topological phase transition by breaking mirror symmetry.Based on this unit cell structure,topological edge states(TESs)and topological corner states(TCSs)are realized.We obtain a new type of wave transmission mode based on photonic crystal zipper-like boundaries and apply it to a beam splitter assembled from rectangular photonic crystals(PCs).The constructed beam splitter structure is compact and possesses frequency separation functions.In addition,we construct a box-shaped triangular PC structures with zipper-like boundaries and discover phenomena of TCSs in the corners,comparing its corner states with those formed by other boundaries.Based on this,we explore the regularities of the electric field patterns of TESs and TCSs,explain the connection between the characteristic frequencies and locality of TCSs,which helps better control photons and ensures low power consumption of the system. 展开更多
关键词 valley photonic crystal topological edge states topological corner states higher-order topological insulators topological phase transition
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Predicted Critical State Based on Invariance of the Lyapunov Exponent in Dual Spaces
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作者 刘通 夏旭 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第1期68-76,共9页
Critical states in disordered systems,fascinating and subtle eigenstates,have attracted a lot of research interests.However,the nature of critical states is difficult to describe quantitatively,and in general,it canno... Critical states in disordered systems,fascinating and subtle eigenstates,have attracted a lot of research interests.However,the nature of critical states is difficult to describe quantitatively,and in general,it cannot predict a system that hosts the critical state.We propose an explicit criterion whereby the Lyapunov exponent of the critical state should be 0 simultaneously in dual spaces,namely the Lyapunov exponent remains invariant under the Fourier transform.With this criterion,we can exactly predict a one-dimensional quasiperiodic model which is not of self-duality,but hosts a large number of critical states.Then,we perform numerical verification of the theoretical prediction and display the self-similarity of the critical state.Due to computational complexity,calculations are not performed for higher dimensional models.However,since the description of extended and localized states by the Lyapunov exponent is universal and dimensionless,utilizing the Lyapunov exponent of dual spaces to describe critical states should also be universal.Finally,we conjecture that some kind of connection exists between the invariance of the Lyapunov exponent and conformal invariance,which can promote the research of critical phenomena. 展开更多
关键词 state EXPONENT CRITICAL
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Comparative Study of the Socioeconomic Characteristics and Digital Literacy Level of Agricultural Extension Personnel in Imo and Ebonyi States, South-East, Nigeria
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作者 Ogbonnaya Okoro Aja Cyril Chigozie Asiabaka +1 位作者 Anthony Okorie Ani Edna Chioma Matthews-Njoku 《Agricultural Sciences》 2024年第2期230-245,共16页
The study comparatively analysed the socioeconomic characteristics and digital literacy level of Agricultural Extension personnel (AEP) in Ebonyi and Imo States, South-East, Nigeria. The specific objectives were to de... The study comparatively analysed the socioeconomic characteristics and digital literacy level of Agricultural Extension personnel (AEP) in Ebonyi and Imo States, South-East, Nigeria. The specific objectives were to describe the socioeconomic characteristics of agricultural extension personnel in Ebonyi and Imo States, and to ascertain the digital literacy level of AEP in the studied states. Purposive sampling technique was used to select 312 Agricultural Extension personnel (132 from Ebonyi State Agricultural Development Program and 180 from Imo State Agricultural Development Program) for the study. Data were collected through the use of validated and structured questionnaire, and administered through the help of well-trained enumerators. Data were analysed using simple descriptive statistical tools such as percentages mean score, standard deviation and weighted mean. Findings indicated that they were more male in the both States (55.3% and 57.8%) for Ebonyi and Imo State respectively and that the average age of AEP in Ebonyi and Imo States were 44.7 years and 49.2 years respectively. It was further revealed that the majority (77.3% and 82.8%) had B.Sc./HND as their highest academic qualifications, belonged to professional organisations (62.1% and 75%), and were earning an average monthly income of N58,798 and N62,648 for Ebonyi and Imo State respectively. Also, it was revealed that their mean years of service were 12.4 years and 13.4 years for Ebonyi and Imo State respectively. Almost all of them (87.9% and 95.0%) own a smartphone, had access to the internet (80.3% and 90.0%), but do not own a laptop/ipad (82.6% and 72.8%) for Ebon-yi and Imo State respectively. Results further revealed that Agricultural extension personnel in both Ebonyi and Imo State respectively had low digital literacy level ( = 2.41 and 2.32). The study concluded that AEP in Ebonyi and Imo State respectively had similar socioeconomic characteristics and low level of digital literacy. The study recommended that the management of ADPs in both Ebonyi and Imo State should ensure the training of AEP in digital skills to enhance their digital literacy level to enable them use digital technologies in their work. 展开更多
关键词 Agricultural Extension Personnel Digital Literacy Ebonyi state Imo state Socioeconomic Characteristics
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Pure State Feedback Switching Control Based on the Online Estimated State for Stochastic Open Quantum Systems
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作者 Shuang Cong Zhixiang Dong 《IEEE/CAA Journal of Automatica Sinica》 SCIE EI CSCD 2024年第10期2166-2178,共13页
For the n-qubit stochastic open quantum systems,based on the Lyapunov stability theorem and LaSalle’s invariant set principle,a pure state switching control based on on-line estimated state feedback(short for OQST-SF... For the n-qubit stochastic open quantum systems,based on the Lyapunov stability theorem and LaSalle’s invariant set principle,a pure state switching control based on on-line estimated state feedback(short for OQST-SFC)is proposed to realize the state transition the pure state of the target state including eigenstate and superposition state.The proposed switching control consists of a constant control and a control law designed based on the Lyapunov method,in which the Lyapunov function is the state distance of the system.The constant control is used to drive the system state from an initial state to the convergence domain only containing the target state,and a Lyapunov-based control is used to make the state enter the convergence domain and then continue to converge to the target state.At the same time,the continuous weak measurement of quantum system and the quantum state tomography method based on the on-line alternating direction multiplier(QST-OADM)are used to obtain the system information and estimate the quantum state which is used as the input of the quantum system controller.Then,the pure state feedback switching control method based on the on-line estimated state feedback is realized in an n-qubit stochastic open quantum system.The complete derivation process of n-qubit QST-OADM algorithm is given;Through strict theoretical proof and analysis,the convergence conditions to ensure any initial state of the quantum system to converge the target pure state are given.The proposed control method is applied to a 2-qubit stochastic open quantum system for numerical simulation experiments.Four possible different position cases between the initial estimated state and that of the controlled system are studied and discussed,and the performances of the state transition under the corresponding cases are analyzed. 展开更多
关键词 Online state estimation state feedback control stochastic open quantum systems(OQST) switching control
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The 5αcondensate state in 20Ne
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作者 Takahiro Kawabata 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第2期3-5,共3页
Theclustering phenomenon,in which nucleons are arranged intoparticles(4 He nuclei)within a nuclear system,is one of the most intriguing aspects of nuclear structure.It has been observed in various light nuclei,such as... Theclustering phenomenon,in which nucleons are arranged intoparticles(4 He nuclei)within a nuclear system,is one of the most intriguing aspects of nuclear structure.It has been observed in various light nuclei,such as^(8)Be,^(12)C,^(16)O,and^(20)Ne,and is responsible for many exotic and fascinating phenomena,such as the Hoyle state in^(12)C,which plays an essential role in stellar nucleosynthesis[1-6]as well as in heavy-ion collisions[7-9]. 展开更多
关键词 STRUCTURE state
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Effects of quantum noise on teleportation of arbitrary two-qubit state via five-particle Brown state
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作者 汪澳 魏玉震 +3 位作者 姜敏 李泳成 陈虹 黄旭 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期204-211,共8页
We propose a new protocol for quantum teleportation(QT)which adopts the Brown state as the quantum channel.This work focuses on the teleportation of a single unknown two-qubit state via a Brown state channel in an ide... We propose a new protocol for quantum teleportation(QT)which adopts the Brown state as the quantum channel.This work focuses on the teleportation of a single unknown two-qubit state via a Brown state channel in an ideal environment.To validate the effectiveness of our proposed scheme,we conduct experiments by using the quantum circuit simulator Quirk.Furthermore,we investigate the effects of four noisy channels,namely,the phase damping noise,the bit-flip noise,the amplitude damping noise,and the phase-flip noise.Notably,we employ Monte Carlo simulation to elucidate the fidelity density under various noise parameters.Our analysis demonstrates that the fidelity of the protocol in a noisy environment is influenced significantly by the amplitude of the initial state and the noise factor. 展开更多
关键词 quantum communication Brown state FIDELITY
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Microenvironment and electronic state modulation of Pd nanoparticles within MOFs for enhancing low-temperature activity towards DCPD hydrogenation
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作者 Zhiyuan Liu Changan Wang +8 位作者 Ping Yang Wei Wang Hongyi Gao Guoqing An Siqi Liu Juan Chen Tingting Guo Xinmeng Xu Ge Wang 《Chinese Journal of Catalysis》 SCIE CAS CSCD 2024年第9期112-122,共11页
Precise control of the local environment and electronic state of the guest is an important method of controlling catalytic activity and reaction pathways.In this paper,guest Pd NPs were introduced into a series of hos... Precise control of the local environment and electronic state of the guest is an important method of controlling catalytic activity and reaction pathways.In this paper,guest Pd NPs were introduced into a series of host UiO-67 MOFs with different functional ligands and metal nodes,the microenvironment and local electronic structure of Pd is modulated by introducing bipyridine groups and changing metal nodes(Ce6O6 or Zr6O6).The bipyridine groups not only promoted the dispersion Pd NPs,but also facilitated electron transfer between Pd and UiO-67 MOFs through the formation of Pd-N bridges.Compared with Zr6 clusters,the tunability and orbital hybridisation of the 4f electronic structure in the Ce6 clusters modulate the electronic structure of Pd through the construction of the Ce-O-Pd interfaces.The optimal catalyst Pd/UiO-67(Ce)-bpy presented excellent low-temperature activity towards dicyclopentadiene hydrogenation with a conversion of>99%and a selectivity of>99%(50℃,10 bar).The results show that the synergy of Ce-O-Pd and Pd-N promotes the formation of active Pdδ+,which not only enhances the adsorption of H2 and electron-rich C=C bonds,but also contributes to the reduction of proton migration distance and improves proton utilization efficiency.These results provide valuable insights for investigating the regulatory role of the host MOFs,the nature of host-guest interactions,and their correlation with catalytic performance. 展开更多
关键词 Interface regulation Pdδ+ MICROENVIRONMENT Electronic state HYDROGENATION
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Deep learning for determining pure isotropic proton spectra from solidstate spectra
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作者 Mengjie Qiu Zhong Chen Yanqin Lin 《Magnetic Resonance Letters》 2024年第1期63-64,共2页
Recently,an article on ^(1)H solid-state NMR spectra was published,in which the authors proposed a deep learning approach to infer the pure isotropic proton NMR spectra obtained at an infinite magic angle spinning(MAS... Recently,an article on ^(1)H solid-state NMR spectra was published,in which the authors proposed a deep learning approach to infer the pure isotropic proton NMR spectra obtained at an infinite magic angle spinning(MAS)rate.This approach even allowed to obtain,by far,the best resolved ^(1)H spectra of molecular solids[1](https://doi.org/10.1002/anie.202216607).Deep learning based artificial intelligence is developing rapidly,and its application is deepening.Currently,there are many applications of deep learning in the field of magnetic resonance,such as the reconstruction of the under-sampled multidimensional spectra[2-4],the deconvolution of two-dimensional NMR spectra[5]and noise suppression and weak peak retrial[6],etc. 展开更多
关键词 SPECTRA ISOTROPIC state
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Preparation and interface state of phosphate tailing-based geopolymers
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作者 ZHANG Shou-xun XIE Xian +4 位作者 XIE Rui-qi TONG Xiong WU Yu-yao LI Jia-wen LI Yue 《Journal of Central South University》 SCIE EI CAS CSCD 2024年第6期1900-1914,共15页
The long-term storage of phosphate tailings will occupy a large amount of land,pollute soil and groundwater,thus,it is crucial to achieve the harmless disposal of phosphate tailings.In this study,high-performance geop... The long-term storage of phosphate tailings will occupy a large amount of land,pollute soil and groundwater,thus,it is crucial to achieve the harmless disposal of phosphate tailings.In this study,high-performance geopolymers with compressive strength of 38.8 MPa were prepared by using phosphate tailings as the main raw material,fly ash as the active silicon-aluminum material,and water glass as the alkaline activator.The solid content of phosphate tailings and fly ash was 60% and 40%,respectively,and the water-cement ratio was 0.22.The results of XRD,FTIR,SEM-EDS and XPS show that the reactivity of phosphate tailings with alkaline activator is weak,and the silicon-aluminum material can react with alkaline activator to form zeolite and gel,and encapsulate/cover the phosphate tailings to form a dense phosphate tailings-based geopolymer.During the formation of geopolymers,part of the aluminum-oxygen tetrahedron replaced the silicon-oxygen tetrahedron,causing the polycondensation reaction between geopolymers and increasing the strength of geopolymers.The leaching toxicity test results show that the geopolymer has a good solid sealing effect on heavy metal ions.The preparation of geopolymer from phosphate tailings is an important way to alleviate the storage pressure and realize the resource utilization of phosphate tailings. 展开更多
关键词 phosphate tailing GEOPOLYMER interface state toxicity leaching
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Spectroscopy and molecule opacity investigation on excited states of SiS
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作者 李瑞 吕浩男 +3 位作者 桑纪群 刘晓华 梁桂颖 吴勇 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第5期381-387,共7页
The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molec... The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries. 展开更多
关键词 SIS OPACITY excited state spectroscopic constant configuration interaction
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Numerical simulation for the initial state of avalanche in polydisperse particle systems
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作者 韩韧 李亭 +2 位作者 迟志鹏 杨晖 李然 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第2期405-412,共8页
Numerical simulation is employed to investigate the initial state of avalanche in polydisperse particle systems.Nucleation and propagation processes are illustrated for pentadisperse and triadisperse particle systems,... Numerical simulation is employed to investigate the initial state of avalanche in polydisperse particle systems.Nucleation and propagation processes are illustrated for pentadisperse and triadisperse particle systems,respectively.In these processes,particles involved in the avalanche grow slowly in the early stage and explosively in the later stage,which is clearly different from the continuous and steady growth trend in the monodisperse system.By examining the avalanche propagation,the number growth of particles involved in the avalanche and the slope of the number growth,the initial state can be divided into three stages:T1(nucleation stage),T2(propagation stage),T3(overall avalanche stage).We focus on the characteristics of the avalanche in the T2 stage,and find that propagation distances increase almost linearly in both axial and radial directions in polydisperse systems.We also consider the distribution characteristics of the average coordination number and average velocity for the moving particles.The results support that the polydisperse particle systems are more stable in the T2 stage. 展开更多
关键词 AVALANCHE initial state polydisperse particle systems PROPAGATION
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