This paper proposes an active learning accelerated Monte-Carlo simulation method based on the modified K-nearest neighbors algorithm.The core idea of the proposed method is to judge whether or not the output of a rand...This paper proposes an active learning accelerated Monte-Carlo simulation method based on the modified K-nearest neighbors algorithm.The core idea of the proposed method is to judge whether or not the output of a random input point can be postulated through a classifier implemented through the modified K-nearest neighbors algorithm.Compared to other active learning methods resorting to experimental designs,the proposed method is characterized by employing Monte-Carlo simulation for sampling inputs and saving a large portion of the actual evaluations of outputs through an accurate classification,which is applicable for most structural reliability estimation problems.Moreover,the validity,efficiency,and accuracy of the proposed method are demonstrated numerically.In addition,the optimal value of K that maximizes the computational efficiency is studied.Finally,the proposed method is applied to the reliability estimation of the carbon fiber reinforced silicon carbide composite specimens subjected to random displacements,which further validates its practicability.展开更多
Usually, there are several methods, e.g. experiment, interpolation experiment-based, analytic function, and Monte-Carlo simulation, to calculate the response functions in LaBr3（Ce） detectors. In logging applications...Usually, there are several methods, e.g. experiment, interpolation experiment-based, analytic function, and Monte-Carlo simulation, to calculate the response functions in LaBr3（Ce） detectors. In logging applications, the experiment-based methods cannot be adopted because of their limitations. Analytic function has the advantage of fast calculating speed, but it is very difficult to take into account many effects that occur in practical applications. On the contrary, Monte-Carlo simulation can deal with physical and geometric configurations very tactfully. It has a distinct advantage for calculating the functions with complex configurations in borehole. A new application of LaBr3（Ce） detector is in natural gamma-rays borehole spectrometer for uranium well logging. Calculation of response functions must consider a series of physical and geometric factors under complex logging conditions, including earth formations and its relevant parameters, different energies, material and thickness of the casings, the fluid between the two tubes, and relative position of the LaBr3（Ce） crystal to steel ingot at the front of logging tube. The present work establishes Monte-Carlo simulation models for the above-mentioned situations, and then performs calculations for main gamma-rays from natural radio-elements series. The response functions can offer experimental directions for the design of borehole detection system, and provide technique basis and basic data for spectral analysis of natural gamma-rays, and for sonrceless calibration in uranium quantitative interpretation.展开更多
For solving higher dimensional diffusion equations with an inhomogeneous diffusion coefficient,Monte Carlo（MC） techniques are considered to be more effective than other algorithms, such as finite element method or f...For solving higher dimensional diffusion equations with an inhomogeneous diffusion coefficient,Monte Carlo（MC） techniques are considered to be more effective than other algorithms, such as finite element method or finite difference method. The inhomogeneity of diffusion coefficient strongly limits the use of different numerical techniques. For better convergence, methods with higher orders have been kept forward to allow MC codes with large step size. The main focus of this work is to look for operators that can produce converging results for large step sizes. As a first step, our comparative analysis has been applied to a general stochastic problem.Subsequently, our formulization is applied to the problem of pitch angle scattering resulting from Coulomb collisions of charge particles in the toroidal devices.展开更多
Fundamental characteristics of the plastic-scintillating fiber (PSF) for wide energy range of electromag- netic radiation (X & γ) have been studied to evaluate possibility of using the PSF as an imaging detector ...Fundamental characteristics of the plastic-scintillating fiber (PSF) for wide energy range of electromag- netic radiation (X & γ) have been studied to evaluate possibility of using the PSF as an imaging detector for industrial purposes. Monte-Carlo simulation program (GEANT4.5.1, 2003) was used to generate the data. In order to evaluate image quality of the detector, fiber array was irradiated under various energy and fluxes. Signal to noise ratio (SNR) as well as detector quantum efficiency (DQE) were obtained.展开更多
The novel coronavirus pneumonia triggered by COVID-19 is now raging the whole world.As a rapid and reliable killing COVID-19 method in industry,electron beam irradiation can interact with virus molecules and destroy t...The novel coronavirus pneumonia triggered by COVID-19 is now raging the whole world.As a rapid and reliable killing COVID-19 method in industry,electron beam irradiation can interact with virus molecules and destroy their activity.With the unexpected appearance and quickly spreading of the virus,it is urgently necessary to figure out the mechanism of electron beam irradiation on COVID-19.In this study,we establish a virus structure and molecule model based on the detected gene sequence of Wuhan patient,and calculate irradiated electron interaction with virus atoms via a Monte Carlo simulation that track each elastic and inelastic collision of all electrons.The characteristics of irradiation damage on COVID-19,atoms’ionizations and electron energy losses are calculated and analyzed with regions.We simulate the different situations of incident electron energy for evaluating the influence of incident energy on virus damage.It is found that under the major protecting of an envelope protein layer,the inner RNA suffers the minimal damage.The damage for a^100-nm-diameter virus molecule is not always enhanced by irradiation energy monotonicity,for COVID-19,the irradiation electron energy of the strongest energy loss damage is 2 keV.展开更多
Needs in scintimammography applications,especially for small animal cardiac imaging,lead to develop a small field of view,high spatial resolution gamma camera with a pinhole collimator.However the ideal pinhole collim...Needs in scintimammography applications,especially for small animal cardiac imaging,lead to develop a small field of view,high spatial resolution gamma camera with a pinhole collimator.However the ideal pinhole collimator must keep a compromise between spatial resolution and sensitivity.In order to design a pinhole collimator with an optimized sensitivity and spatial resolution,the spatial resolution and the geometric sensitivity response as a function of the source to collimator distance has been obtained by means of Monte-Carlo simulation for a small field of view gamma camera with a pinhole collimator of various-hole diameters.The results show that the camera with pinhole of 1 mm,1.5 mm and 2 mm diameter has respectively spatial resolution of 1.5 mm,2.25 mm and 3 mm and geometric sensitivity of 0.016%,0.022%and 0.036%,while the source to collimator distance is 3 cm.We chose the pinhole collimator with hole diameter size of 1.2 mm for our the gamma camera designed based on the trade-off between sensitivity and resolution.展开更多
The distribution characteristics of the neutron field in cement was simulated using the MCNP code to comply with the requirements of an online Prompt Gamma Neutron Activation Analysis system.Simulation results showed ...The distribution characteristics of the neutron field in cement was simulated using the MCNP code to comply with the requirements of an online Prompt Gamma Neutron Activation Analysis system.Simulation results showed that the neutron relative flux proportion reduced with increasing cement thickness.When the cement thickness remains unchanged,the reduced proportion of thermal neutrons increases to a small extent,but the epithermal, intermediate,and fast neutrons will decrease according to the geometric progression.H element in the cement mainly affects the reduction of fast neutrons and other single-substance elements,e.g.,O,Ca,56Fe,Si,and Al.It also slows down the reduction of the fast neutrons via inelastic scattering.O contributes more than other elements in the reduction of fast neutrons.Changing the H content affects the thermal,epithermal,intermediate,and fast neutrons, while changing the Ca,Fe,and Si contents only influences the thermal,epithermal,and intermediate neutrons;hence, there is little effect on the reduction of fast neutrons.展开更多
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of poros...Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.展开更多
Cosmic-ray muons are highly penetrating background-radiation particles found in natural environments.In this study,we develop and test a plastic scintillator muon detector based on machine-learning algorithms.The dete...Cosmic-ray muons are highly penetrating background-radiation particles found in natural environments.In this study,we develop and test a plastic scintillator muon detector based on machine-learning algorithms.The detector underwent muon position-resolution tests at the Institute of Modern Physics in Lanzhou using a multiwire drift chamber(MWDC)experimental platform.In the simulation,the same structural and performance parameters were maintained to ensure the reliability of the simulation results.The Gaussian process regression(GPR)algorithm was used as the position-reconstruction algorithm owing to its optimal performance.The results of the Time Difference of Arrival algorithm were incorporated as one of the features of the GPR model to reconstruct the muon hit positions.The accuracy of the position reconstruction was evaluated by comparing the experimental results with Geant4 simulation results.In the simulation,large-area plastic scintillator detectors achieved a position resolution better than 20 mm.In the experimental-platform tests,the position resolutions of the test detectors were 27.9 mm.We also analyzed factors affecting the position resolution,including the critical angle of the total internal reflection of the photomultiplier tubes and distribution of muons in the MWDC.Simulations were performed to image both large objects and objects with different atomic numbers.The results showed that the system could image high-and low-Z materials in the constructed model and distinguish objects with significant density differences.This study demonstrates the feasibility of the proposed system,thereby providing a new detector system for muon-imaging applications.展开更多
The Very Large Area gamma-ray Space Telescope(VLAST)is a mission concept proposed to detect gamma-ray photons through both Compton scattering and electron–positron pair production mechanisms,thus enabling the detecti...The Very Large Area gamma-ray Space Telescope(VLAST)is a mission concept proposed to detect gamma-ray photons through both Compton scattering and electron–positron pair production mechanisms,thus enabling the detection of photons with energies ranging from MeV to TeV.This project aims to conduct a comprehensive survey of the gamma-ray sky from a low-Earth orbit using an anti-coincidence detector,a tracker detector that also serves as a low-energy calorimeter,and a high-energy imaging calorimeter.We developed a Monte Carlo simulation application of the detector using the GEANT4 toolkit to evaluate the instrument performance,including the effective area,angular resolution,and energy resolution,and explored specific optimizations of the detector configuration.Our simulation-based analysis indicates that the current design of the VLAST is physically feasible,with an acceptance above 10 m^(2)sr which is four times larger than that of the Fermi-LAT,an energy resolution better than 2%at 10 GeV,and an angular resolution better than 0.2◦at 10 GeV.The VLAST project promises to make significant contributions to the field of gamma-ray astronomy and enhance our understanding of the cosmos.展开更多
In this study,circular dichroism(CD)and molecular dynamics(MD)simulation were used to investigate the thermal unfolding pathway of staphylococcal enterotoxin B(SEB)at temperatures of 298–371 and 298–500 K,and the re...In this study,circular dichroism(CD)and molecular dynamics(MD)simulation were used to investigate the thermal unfolding pathway of staphylococcal enterotoxin B(SEB)at temperatures of 298–371 and 298–500 K,and the relationship between the experimental and simulation results were explored.Our computational findings on the secondary structure of SEB showed that at room temperature,the CD spectroscopic results were highly consistent with the MD results.Moreover,under heating conditions,the changing trends of helix,sheet and random coil obtained by CD spectral fitting were highly consistent with those obtained by MD.In order to gain a deeper understanding of the thermal stability mechanism of SEB,the MD trajectories were analyzed in terms of root mean square deviation(RMSD),secondary structure assignment(SSA),radius of gyration(R_(g)),free energy surfaces(FES),solvent-accessible surface area(SASA),hydrogen bonds and salt bridges.The results showed that at low heating temperature,domain Ⅰ without loops(omitting the mobile loop region)mainly relied on hydrophobic interaction to maintain its thermal stability,whereas the thermal stability of domain Ⅱ was mainly controlled by salt bridges and hydrogen bonds.Under high heating temperature conditions,the hydrophobic interactions in domain Ⅰ without loops were destroyed and the secondary structure was almost completely lost,while domain Ⅱ could still rely on salt bridges as molecular staples to barely maintain the stability of the secondary structure.These results help us to understand the thermodynamic and kinetic mechanisms that maintain the thermal stability of SEB at the molecular level,and provide a direction for establishing safer and more effective food sterilization processes.展开更多
MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations.Using the features of the Julia programming language,MicroMagnetic.jl supports CPU and various GPU platforms,including NVIDI...MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations.Using the features of the Julia programming language,MicroMagnetic.jl supports CPU and various GPU platforms,including NVIDIA,AMD,Intel,and Apple GPUs.Moreover,MicroMagnetic.jl supports Monte Carlo simulations for atomistic models and implements the nudged-elastic-band method for energy barrier computations.With built-in support for double and single precision modes and a design allowing easy extensibility to add new features,MicroMagnetic.jl provides a versatile toolset for researchers in micromagnetics and atomistic simulations.展开更多
In order to ensure the penetrability of double-cased perforation in offshore oil and gas fields and to maximize the capacity of perforation completion, This study establishes a dynamic model of double-cased perforatio...In order to ensure the penetrability of double-cased perforation in offshore oil and gas fields and to maximize the capacity of perforation completion, This study establishes a dynamic model of double-cased perforation using ANSYS/LS-DYNA simulation technology. The combination of critical perforation parameters for double casing is obtained by studying the influencing factors of the jet-forming process,perforation depth, diameter, and stress changes of the inner and outer casing. The single-target perforation experiments under high-temperature and high-pressure(HTHP) conditions and ground full-scale ring target perforation tests are designed to verify the accuracy of numerical simulation results. The reduced factor is adopted as the quantitative measure of perforation depth and diameter for different types of perforation charge under different conditions. The results show that the perforation depth reduction increases with temperature and pressure, and the reduced factor is between 0.67 and 0.87 under HTHP conditions of 130℃/44 MPa and 137℃/60 MPa. Comparing the results of the numerical simulation and the full-scale test correction, the maximum error is less than 8.91%, and this numerical simulation has strong reliability. This research provides a basis for a reasonable range of double-cased perforation parameters and their optimal selection.展开更多
The advantages of a flat-panel X-ray source(FPXS)make it a promising candidate for imaging applications.Accurate imaging-system modeling and projection simulation are critical for analyzing imaging performance and res...The advantages of a flat-panel X-ray source(FPXS)make it a promising candidate for imaging applications.Accurate imaging-system modeling and projection simulation are critical for analyzing imaging performance and resolving overlapping projection issues in FPXS.The conventional analytical ray-tracing approach is limited by the number of patterns and is not applicable to FPXS-projection calculations.However,the computation time of Monte Carlo(MC)simulation is independent of the size of the patterned arrays in FPXS.This study proposes two high-efficiency MC projection simulators for FPXS:a graphics processing unit(GPU)-based phase-space sampling MC(gPSMC)simulator and GPU-based fluence sampling MC(gFSMC)simulator.The two simulators comprise three components:imaging-system modeling,photon initialization,and physical-interaction simulations in the phantom.Imaging-system modeling was performed by modeling the FPXS,imaging geometry,and detector.The gPSMC simulator samples the initial photons from the phase space,whereas the gFSMC simulator performs photon initialization from the calculated energy spectrum and fluence map.The entire process of photon interaction with the geometry and arrival at the detector was simulated in parallel using multiple GPU kernels,and projections based on the two simulators were calculated.The accuracies of the two simulators were evaluated by comparing them with the conventional analytical ray-tracing approach and acquired projections,and the efficiencies were evaluated by comparing the computation time.The results of simulated and realistic experiments illustrate the accuracy and efficiency of the proposed gPSMC and gFSMC simulators in the projection calculation of various phantoms.展开更多
Recently,there has been a growing prevalence in the utilization of graphdiyne(GDY)in the field of biomedicine,attributed to its distinctive physical structure and chemical properties.Additionally,its biocompatibility ...Recently,there has been a growing prevalence in the utilization of graphdiyne(GDY)in the field of biomedicine,attributed to its distinctive physical structure and chemical properties.Additionally,its biocompatibility has garnered increasing attention.However,there is a lack of research on the biological effects and physical mechanisms of GDYprotein interactions at the molecular scale.In this study,the villin headpiece subdomain(HP35)served as a representative protein model.Molecular dynamics simulations were employed to investigate the interaction process between the HP35 protein and GDY,as well as the structural evolution of the protein.The data presented in our study demonstrate that GDY can rapidly adsorb HP35 protein and induce denaturation to one of the a-helix structures of HP35 protein.This implies a potential cytotoxicity concern of GDY for biological systems.Compared to graphene,GDY induced less disruption to HP35 protein.This can be attributed to the presence of natural triangular vacancies in GDY,which prevents p–p stacking action and the limited interaction of GDY with HP35 protein is not conducive to the expansion of protein structures.These findings unveil the biological effects of GDY at the molecular level and provide valuable insights for the application of GDY in biomedicine.展开更多
As the proportion of renewable energy infiltrating the power grid increases,suppressing its randomness and volatility,reducing its impact on the safe operation of the power grid,and improving the level of new energy c...As the proportion of renewable energy infiltrating the power grid increases,suppressing its randomness and volatility,reducing its impact on the safe operation of the power grid,and improving the level of new energy consumption are increasingly important.For these purposes,energy storage stations(ESS)are receiving increasing attention.This article discusses the structure,working principle,and control methods of grid-following and grid-forming energy-storage converters,which are currently commonly used.A simulation analysis was conducted to investigate their dynamic response characteristics.The advantages and disadvantages of two types of energy storage power stations are discussed,and a configuration strategy for hybrid ESS is proposed.This paper presents research on and a simulation analysis of grid-forming and grid-following hybrid energy storage systems considering two types of energy storage according to different capacity scenarios.Finally,a comparative analysis between the systems is presented.A simulation model was established using PSD-BPA(Power System Department-Bonneville Power Administration)to analyze the impact of the capacity ratio of grid-following and grid-forming ESS on their dynamic response characteristics in a hybrid ESS.In addition,a development direction for future ESSs is indicated.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.12002246 and No.52178301)Knowledge Innovation Program of Wuhan(Grant No.2022010801020357)+2 种基金the Science Research Foundation of Wuhan Institute of Technology(Grant No.K2021030)2020 annual Open Fund of Failure Mechanics&Engineering Disaster Prevention and Mitigation,Key Laboratory of Sichuan Province(Sichuan University)(Grant No.2020JDS0022)Open Research Fund Program of Hubei Provincial Key Laboratory of Chemical Equipment Intensification and Intrinsic Safety(Grant No.2019KA03)。
文摘This paper proposes an active learning accelerated Monte-Carlo simulation method based on the modified K-nearest neighbors algorithm.The core idea of the proposed method is to judge whether or not the output of a random input point can be postulated through a classifier implemented through the modified K-nearest neighbors algorithm.Compared to other active learning methods resorting to experimental designs,the proposed method is characterized by employing Monte-Carlo simulation for sampling inputs and saving a large portion of the actual evaluations of outputs through an accurate classification,which is applicable for most structural reliability estimation problems.Moreover,the validity,efficiency,and accuracy of the proposed method are demonstrated numerically.In addition,the optimal value of K that maximizes the computational efficiency is studied.Finally,the proposed method is applied to the reliability estimation of the carbon fiber reinforced silicon carbide composite specimens subjected to random displacements,which further validates its practicability.
基金supported by Key Laboratory of Radioactive Geology and Exploration Technology Fundamental Science for National Defense(No. 2011RGET04)East China Institute of Technology, and National Natural Science Foundation of China (No. 41074078)
文摘Usually, there are several methods, e.g. experiment, interpolation experiment-based, analytic function, and Monte-Carlo simulation, to calculate the response functions in LaBr3（Ce） detectors. In logging applications, the experiment-based methods cannot be adopted because of their limitations. Analytic function has the advantage of fast calculating speed, but it is very difficult to take into account many effects that occur in practical applications. On the contrary, Monte-Carlo simulation can deal with physical and geometric configurations very tactfully. It has a distinct advantage for calculating the functions with complex configurations in borehole. A new application of LaBr3（Ce） detector is in natural gamma-rays borehole spectrometer for uranium well logging. Calculation of response functions must consider a series of physical and geometric factors under complex logging conditions, including earth formations and its relevant parameters, different energies, material and thickness of the casings, the fluid between the two tubes, and relative position of the LaBr3（Ce） crystal to steel ingot at the front of logging tube. The present work establishes Monte-Carlo simulation models for the above-mentioned situations, and then performs calculations for main gamma-rays from natural radio-elements series. The response functions can offer experimental directions for the design of borehole detection system, and provide technique basis and basic data for spectral analysis of natural gamma-rays, and for sonrceless calibration in uranium quantitative interpretation.
基金supported in part by the Higher Education Commission of Pakistan under PPCR programsupported by the National Magnetic Confinement Fusion Program under Grant No.2013GB104004Fundamental Research Fund for Chinese Central Universities
文摘For solving higher dimensional diffusion equations with an inhomogeneous diffusion coefficient,Monte Carlo（MC） techniques are considered to be more effective than other algorithms, such as finite element method or finite difference method. The inhomogeneity of diffusion coefficient strongly limits the use of different numerical techniques. For better convergence, methods with higher orders have been kept forward to allow MC codes with large step size. The main focus of this work is to look for operators that can produce converging results for large step sizes. As a first step, our comparative analysis has been applied to a general stochastic problem.Subsequently, our formulization is applied to the problem of pitch angle scattering resulting from Coulomb collisions of charge particles in the toroidal devices.
文摘Fundamental characteristics of the plastic-scintillating fiber (PSF) for wide energy range of electromag- netic radiation (X & γ) have been studied to evaluate possibility of using the PSF as an imaging detector for industrial purposes. Monte-Carlo simulation program (GEANT4.5.1, 2003) was used to generate the data. In order to evaluate image quality of the detector, fiber array was irradiated under various energy and fluxes. Signal to noise ratio (SNR) as well as detector quantum efficiency (DQE) were obtained.
基金Project supported by the National Natural Science Foundation of China(Grant No.61901360)。
文摘The novel coronavirus pneumonia triggered by COVID-19 is now raging the whole world.As a rapid and reliable killing COVID-19 method in industry,electron beam irradiation can interact with virus molecules and destroy their activity.With the unexpected appearance and quickly spreading of the virus,it is urgently necessary to figure out the mechanism of electron beam irradiation on COVID-19.In this study,we establish a virus structure and molecule model based on the detected gene sequence of Wuhan patient,and calculate irradiated electron interaction with virus atoms via a Monte Carlo simulation that track each elastic and inelastic collision of all electrons.The characteristics of irradiation damage on COVID-19,atoms’ionizations and electron energy losses are calculated and analyzed with regions.We simulate the different situations of incident electron energy for evaluating the influence of incident energy on virus damage.It is found that under the major protecting of an envelope protein layer,the inner RNA suffers the minimal damage.The damage for a^100-nm-diameter virus molecule is not always enhanced by irradiation energy monotonicity,for COVID-19,the irradiation electron energy of the strongest energy loss damage is 2 keV.
基金Supported by National Foundation of Nature Science of China(No.10275063)
文摘Needs in scintimammography applications,especially for small animal cardiac imaging,lead to develop a small field of view,high spatial resolution gamma camera with a pinhole collimator.However the ideal pinhole collimator must keep a compromise between spatial resolution and sensitivity.In order to design a pinhole collimator with an optimized sensitivity and spatial resolution,the spatial resolution and the geometric sensitivity response as a function of the source to collimator distance has been obtained by means of Monte-Carlo simulation for a small field of view gamma camera with a pinhole collimator of various-hole diameters.The results show that the camera with pinhole of 1 mm,1.5 mm and 2 mm diameter has respectively spatial resolution of 1.5 mm,2.25 mm and 3 mm and geometric sensitivity of 0.016%,0.022%and 0.036%,while the source to collimator distance is 3 cm.We chose the pinhole collimator with hole diameter size of 1.2 mm for our the gamma camera designed based on the trade-off between sensitivity and resolution.
基金Supported by National Natural Science Foundation for Distinguished Young Scholar(41025015)NSFC(40974065,11105132)+3 种基金Province Key Technology R&D Program(2011FZ0055)National High Technology Research and Development Program of China(2012AA063501)the Basic Research for Application of Sichuan Province(2012JY0109)China Postdoctoral Science Foundation(2012M520245)
文摘The distribution characteristics of the neutron field in cement was simulated using the MCNP code to comply with the requirements of an online Prompt Gamma Neutron Activation Analysis system.Simulation results showed that the neutron relative flux proportion reduced with increasing cement thickness.When the cement thickness remains unchanged,the reduced proportion of thermal neutrons increases to a small extent,but the epithermal, intermediate,and fast neutrons will decrease according to the geometric progression.H element in the cement mainly affects the reduction of fast neutrons and other single-substance elements,e.g.,O,Ca,56Fe,Si,and Al.It also slows down the reduction of the fast neutrons via inelastic scattering.O contributes more than other elements in the reduction of fast neutrons.Changing the H content affects the thermal,epithermal,intermediate,and fast neutrons, while changing the Ca,Fe,and Si contents only influences the thermal,epithermal,and intermediate neutrons;hence, there is little effect on the reduction of fast neutrons.
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
基金financial support from National Natural Science Foundation of China(Grant No.12172325)。
文摘Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.
基金supported by the National Natural Science Foundation of China(Nos.12275120,11875163)Ministry of Science and Technology of China(No.2020YFE0202001)+1 种基金Science and Technology Innovation Program of Hunan Province(No.2022RC1202)Hunan Provincial Natural Science Foundation(No.2021JJ20006).
文摘Cosmic-ray muons are highly penetrating background-radiation particles found in natural environments.In this study,we develop and test a plastic scintillator muon detector based on machine-learning algorithms.The detector underwent muon position-resolution tests at the Institute of Modern Physics in Lanzhou using a multiwire drift chamber(MWDC)experimental platform.In the simulation,the same structural and performance parameters were maintained to ensure the reliability of the simulation results.The Gaussian process regression(GPR)algorithm was used as the position-reconstruction algorithm owing to its optimal performance.The results of the Time Difference of Arrival algorithm were incorporated as one of the features of the GPR model to reconstruct the muon hit positions.The accuracy of the position reconstruction was evaluated by comparing the experimental results with Geant4 simulation results.In the simulation,large-area plastic scintillator detectors achieved a position resolution better than 20 mm.In the experimental-platform tests,the position resolutions of the test detectors were 27.9 mm.We also analyzed factors affecting the position resolution,including the critical angle of the total internal reflection of the photomultiplier tubes and distribution of muons in the MWDC.Simulations were performed to image both large objects and objects with different atomic numbers.The results showed that the system could image high-and low-Z materials in the constructed model and distinguish objects with significant density differences.This study demonstrates the feasibility of the proposed system,thereby providing a new detector system for muon-imaging applications.
基金supported by the National Key Research and Development Program of China(No.2021YFA0718404)the National Natural Science Foundation of China(Nos.12220101003,12173098,U2031149)+2 种基金the Project for Young Scientists in Basic Research of Chinese Academy of Sciences(CAS)(No.YSBR-061)the Scientific Instrument Developing Project of CAS(No.GJJSTD20210009)the Youth Innovation Promotion Association of CAS,and the Young Elite Scientists Sponsorship Program by the China Association for Science and Technology(No.YESS20220197).
文摘The Very Large Area gamma-ray Space Telescope(VLAST)is a mission concept proposed to detect gamma-ray photons through both Compton scattering and electron–positron pair production mechanisms,thus enabling the detection of photons with energies ranging from MeV to TeV.This project aims to conduct a comprehensive survey of the gamma-ray sky from a low-Earth orbit using an anti-coincidence detector,a tracker detector that also serves as a low-energy calorimeter,and a high-energy imaging calorimeter.We developed a Monte Carlo simulation application of the detector using the GEANT4 toolkit to evaluate the instrument performance,including the effective area,angular resolution,and energy resolution,and explored specific optimizations of the detector configuration.Our simulation-based analysis indicates that the current design of the VLAST is physically feasible,with an acceptance above 10 m^(2)sr which is four times larger than that of the Fermi-LAT,an energy resolution better than 2%at 10 GeV,and an angular resolution better than 0.2◦at 10 GeV.The VLAST project promises to make significant contributions to the field of gamma-ray astronomy and enhance our understanding of the cosmos.
文摘In this study,circular dichroism(CD)and molecular dynamics(MD)simulation were used to investigate the thermal unfolding pathway of staphylococcal enterotoxin B(SEB)at temperatures of 298–371 and 298–500 K,and the relationship between the experimental and simulation results were explored.Our computational findings on the secondary structure of SEB showed that at room temperature,the CD spectroscopic results were highly consistent with the MD results.Moreover,under heating conditions,the changing trends of helix,sheet and random coil obtained by CD spectral fitting were highly consistent with those obtained by MD.In order to gain a deeper understanding of the thermal stability mechanism of SEB,the MD trajectories were analyzed in terms of root mean square deviation(RMSD),secondary structure assignment(SSA),radius of gyration(R_(g)),free energy surfaces(FES),solvent-accessible surface area(SASA),hydrogen bonds and salt bridges.The results showed that at low heating temperature,domain Ⅰ without loops(omitting the mobile loop region)mainly relied on hydrophobic interaction to maintain its thermal stability,whereas the thermal stability of domain Ⅱ was mainly controlled by salt bridges and hydrogen bonds.Under high heating temperature conditions,the hydrophobic interactions in domain Ⅰ without loops were destroyed and the secondary structure was almost completely lost,while domain Ⅱ could still rely on salt bridges as molecular staples to barely maintain the stability of the secondary structure.These results help us to understand the thermodynamic and kinetic mechanisms that maintain the thermal stability of SEB at the molecular level,and provide a direction for establishing safer and more effective food sterilization processes.
基金supported by the National Key R&D Program of China(Grant No.2022YFA1403603)the Strategic Priority Research Program of Chinese Academy of Sciences(Grant No.XDB33030100)+2 种基金the National Natural Science Fund for Distinguished Young Scholar(Grant No.52325105)the National Natural Science Foundation of China(Grant Nos.12374098,11974021,and 12241406)the CAS Project for Young Scientists in Basic Research(Grant No.YSBR-084).
文摘MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations.Using the features of the Julia programming language,MicroMagnetic.jl supports CPU and various GPU platforms,including NVIDIA,AMD,Intel,and Apple GPUs.Moreover,MicroMagnetic.jl supports Monte Carlo simulations for atomistic models and implements the nudged-elastic-band method for energy barrier computations.With built-in support for double and single precision modes and a design allowing easy extensibility to add new features,MicroMagnetic.jl provides a versatile toolset for researchers in micromagnetics and atomistic simulations.
基金the support of the Foundation of Natural Science Foundation of Shaanxi Province, Grant/ Award nos. 2023-JC-YB-361National Natural Science Foundation (Number 52104033)。
文摘In order to ensure the penetrability of double-cased perforation in offshore oil and gas fields and to maximize the capacity of perforation completion, This study establishes a dynamic model of double-cased perforation using ANSYS/LS-DYNA simulation technology. The combination of critical perforation parameters for double casing is obtained by studying the influencing factors of the jet-forming process,perforation depth, diameter, and stress changes of the inner and outer casing. The single-target perforation experiments under high-temperature and high-pressure(HTHP) conditions and ground full-scale ring target perforation tests are designed to verify the accuracy of numerical simulation results. The reduced factor is adopted as the quantitative measure of perforation depth and diameter for different types of perforation charge under different conditions. The results show that the perforation depth reduction increases with temperature and pressure, and the reduced factor is between 0.67 and 0.87 under HTHP conditions of 130℃/44 MPa and 137℃/60 MPa. Comparing the results of the numerical simulation and the full-scale test correction, the maximum error is less than 8.91%, and this numerical simulation has strong reliability. This research provides a basis for a reasonable range of double-cased perforation parameters and their optimal selection.
文摘The advantages of a flat-panel X-ray source(FPXS)make it a promising candidate for imaging applications.Accurate imaging-system modeling and projection simulation are critical for analyzing imaging performance and resolving overlapping projection issues in FPXS.The conventional analytical ray-tracing approach is limited by the number of patterns and is not applicable to FPXS-projection calculations.However,the computation time of Monte Carlo(MC)simulation is independent of the size of the patterned arrays in FPXS.This study proposes two high-efficiency MC projection simulators for FPXS:a graphics processing unit(GPU)-based phase-space sampling MC(gPSMC)simulator and GPU-based fluence sampling MC(gFSMC)simulator.The two simulators comprise three components:imaging-system modeling,photon initialization,and physical-interaction simulations in the phantom.Imaging-system modeling was performed by modeling the FPXS,imaging geometry,and detector.The gPSMC simulator samples the initial photons from the phase space,whereas the gFSMC simulator performs photon initialization from the calculated energy spectrum and fluence map.The entire process of photon interaction with the geometry and arrival at the detector was simulated in parallel using multiple GPU kernels,and projections based on the two simulators were calculated.The accuracies of the two simulators were evaluated by comparing them with the conventional analytical ray-tracing approach and acquired projections,and the efficiencies were evaluated by comparing the computation time.The results of simulated and realistic experiments illustrate the accuracy and efficiency of the proposed gPSMC and gFSMC simulators in the projection calculation of various phantoms.
基金Project supported by the National Natural Science Foundation of China(Grant No.52072132).
文摘Recently,there has been a growing prevalence in the utilization of graphdiyne(GDY)in the field of biomedicine,attributed to its distinctive physical structure and chemical properties.Additionally,its biocompatibility has garnered increasing attention.However,there is a lack of research on the biological effects and physical mechanisms of GDYprotein interactions at the molecular scale.In this study,the villin headpiece subdomain(HP35)served as a representative protein model.Molecular dynamics simulations were employed to investigate the interaction process between the HP35 protein and GDY,as well as the structural evolution of the protein.The data presented in our study demonstrate that GDY can rapidly adsorb HP35 protein and induce denaturation to one of the a-helix structures of HP35 protein.This implies a potential cytotoxicity concern of GDY for biological systems.Compared to graphene,GDY induced less disruption to HP35 protein.This can be attributed to the presence of natural triangular vacancies in GDY,which prevents p–p stacking action and the limited interaction of GDY with HP35 protein is not conducive to the expansion of protein structures.These findings unveil the biological effects of GDY at the molecular level and provide valuable insights for the application of GDY in biomedicine.
基金supported by the National Key Research and Development Program of China(Gigawatt Hour Level Lithiumion Battery Energy Storage System Technology,NO.2021YFB2400100Integrated and Intelligent Management and Demonstration Application of Gigawatt Hour Level energy storage station,NO.2021YFB2400105).
文摘As the proportion of renewable energy infiltrating the power grid increases,suppressing its randomness and volatility,reducing its impact on the safe operation of the power grid,and improving the level of new energy consumption are increasingly important.For these purposes,energy storage stations(ESS)are receiving increasing attention.This article discusses the structure,working principle,and control methods of grid-following and grid-forming energy-storage converters,which are currently commonly used.A simulation analysis was conducted to investigate their dynamic response characteristics.The advantages and disadvantages of two types of energy storage power stations are discussed,and a configuration strategy for hybrid ESS is proposed.This paper presents research on and a simulation analysis of grid-forming and grid-following hybrid energy storage systems considering two types of energy storage according to different capacity scenarios.Finally,a comparative analysis between the systems is presented.A simulation model was established using PSD-BPA(Power System Department-Bonneville Power Administration)to analyze the impact of the capacity ratio of grid-following and grid-forming ESS on their dynamic response characteristics in a hybrid ESS.In addition,a development direction for future ESSs is indicated.
