The two-component cold atom systems with anisotropic hopping amplitudes can be phenomenologically described by a two-dimensional Ising-XY coupled model with spatial anisotropy.At low temperatures,theoretical predictio...The two-component cold atom systems with anisotropic hopping amplitudes can be phenomenologically described by a two-dimensional Ising-XY coupled model with spatial anisotropy.At low temperatures,theoretical predictions[Phys.Rev.A 72053604(2005)]and[arXiv:0706.1609]indicate the existence of a topological ordered phase characterized by Ising and XY disorder but with 2XY ordering.However,due to ergodic difficulties faced by Monte Carlo methods at low temperatures,this topological phase has not been numerically explored.We propose a linear cluster updating Monte Carlo method,which flips spins without rejection in the anisotropy limit but does not change the energy.Using this scheme and conventional Monte Carlo methods,we succeed in revealing the nature of topological phases with half-vortices and domain walls.In the constructed global phase diagram,Ising and XY-type transitions are very close to each other and differ significantly from the schematic phase diagram reported earlier.We also propose and explore a wide range of quantities,including magnetism,superfluidity,specific heat,susceptibility,and even percolation susceptibility,and obtain consistent and reliable results.Furthermore,we observed first-order transitions characterized by common intersection points in magnetizations for different system sizes,as opposed to the conventional phase transition where Binder cumulants of various sizes share common intersections.The critical exponents of different types of phase transitions are reasonably fitted.The results are useful to help cold atom experiments explore the half-vortex topological phase.展开更多
Measures of irregularity of a point set or sequence, such as discrepancy and dispersion, play a central role in quasi Monte Carlo methods. In this paper, we introduce and study a new measure of irregularity, called v...Measures of irregularity of a point set or sequence, such as discrepancy and dispersion, play a central role in quasi Monte Carlo methods. In this paper, we introduce and study a new measure of irregularity, called volume dispersion. It is a measure of deviation of point sets from the uniform distribution. We then generalize the concept of volume dispersion to more general cases as measures of representation of point sets for general probability distributions. Various relations among these measures and the traditional discrepancy and dispersion are investigated.展开更多
Recently,the family of rare-earth chalcohalides were proposed as candidate compounds to realize the Kitaev spin liquid(KSL)[Chin.Phys.Lett.38047502(2021)].In the present work,we firstly propose an effective spin Hamil...Recently,the family of rare-earth chalcohalides were proposed as candidate compounds to realize the Kitaev spin liquid(KSL)[Chin.Phys.Lett.38047502(2021)].In the present work,we firstly propose an effective spin Hamiltonian consistent with the symmetry group of the crystal structure.Then we apply classical Monte Carlo simulations to preliminarily study the model and establish a phase diagram.When approaching to the low temperature limit,several magnetic long range orders are observed,including the stripe,the zigzag,the antiferromagnetic(AFM),the ferromagnetic(FM),the incommensurate spiral(IS),the multi-Q,and the 120°ones.We further calculate the thermodynamic properties of the system,such as the temperature dependence of the magnetic susceptibility and the heat capacity.The ordering transition temperatures reflected in the two quantities agree with each other.For most interaction regions,the system is magnetically more susceptible in the ab-plane than in the c-direction.The stripe phase is special,where the susceptibility is fairly isotropic in the whole temperature region.These features provide useful information to understand the magnetic properties of related materials.展开更多
We systematically test the performance of several Monte Carlo update schemes for the(2+1)d XY phase transition of quantum rotor model.By comparing the local Metropolis(LM),LM plus over-relaxation(OR),Wolff-cluster(WC)...We systematically test the performance of several Monte Carlo update schemes for the(2+1)d XY phase transition of quantum rotor model.By comparing the local Metropolis(LM),LM plus over-relaxation(OR),Wolff-cluster(WC),hybrid Monte Carlo(HM),hybrid Monte Carlo with Fourier acceleration(FA)schemes,it is clear that among the five different update schemes,at the quantum critical point,the WC and FA schemes acquire the smallest autocorrelation time and cost the least amount of CPU hours in achieving the same level of relative error,and FA enjoys a further advantage of easily implementable for more complicated interactions such as the long-range ones.These results bestow one with the necessary knowledge of extending the quantum rotor model,which plays the role of ferromagnetic/antiferromagnetic critical bosons or Z_(2)topological order,to more realistic and yet challenging models such as Fermi surface Yukawa-coupled to quantum rotor models.展开更多
Straightness error is an important parameter in measuring high-precision shafts. New generation geometrical product speeifieation(GPS) requires the measurement uncertainty characterizing the reliability of the resul...Straightness error is an important parameter in measuring high-precision shafts. New generation geometrical product speeifieation(GPS) requires the measurement uncertainty characterizing the reliability of the results should be given together when the measurement result is given. Nowadays most researches on straightness focus on error calculation and only several research projects evaluate the measurement uncertainty based on "The Guide to the Expression of Uncertainty in Measurement(GUM)". In order to compute spatial straightness error(SSE) accurately and rapidly and overcome the limitations of GUM, a quasi particle swarm optimization(QPSO) is proposed to solve the minimum zone SSE and Monte Carlo Method(MCM) is developed to estimate the measurement uncertainty. The mathematical model of minimum zone SSE is formulated. In QPSO quasi-random sequences are applied to the generation of the initial position and velocity of particles and their velocities are modified by the constriction factor approach. The flow of measurement uncertainty evaluation based on MCM is proposed, where the heart is repeatedly sampling from the probability density function(PDF) for every input quantity and evaluating the model in each case. The minimum zone SSE of a shaft measured on a Coordinate Measuring Machine(CMM) is calculated by QPSO and the measurement uncertainty is evaluated by MCM on the basis of analyzing the uncertainty contributors. The results show that the uncertainty directly influences the product judgment result. Therefore it is scientific and reasonable to consider the influence of the uncertainty in judging whether the parts are accepted or rejected, especially for those located in the uncertainty zone. The proposed method is especially suitable when the PDF of the measurand cannot adequately be approximated by a Gaussian distribution or a scaled and shifted t-distribution and the measurement model is non-linear.展开更多
A two-dimensional (2D) full band self-consistent ensemble Monte Carlo (MC) method for solving the quantum Boltzmann equation, including collision broadening and quantum potential corrections, is developed to exten...A two-dimensional (2D) full band self-consistent ensemble Monte Carlo (MC) method for solving the quantum Boltzmann equation, including collision broadening and quantum potential corrections, is developed to extend the MC method to the study of nano-scale semiconductor devices with obvious quantum mechanical (QM) effects. The quantum effects both in real space and momentum space in nano-scale semiconductor devices can be simulated. The effective mobility in the inversion layer of n and p channel MOSFET is simulated and compared with experimental data to verify this method. With this method 50nm ultra thin body silicon on insulator MOSFET are simulated. Results indicate that this method can be used to simulate the 2D QM effects in semiconductor devices including tunnelling effect.展开更多
The microstructures and their kinetics of normal grain growth are simulated using different Monte Carlo (MC) algorithms. Compared with the relative figures and the theoretical normal grain growth exponents of n =0.5...The microstructures and their kinetics of normal grain growth are simulated using different Monte Carlo (MC) algorithms. Compared with the relative figures and the theoretical normal grain growth exponents of n =0.5, the effects of some factors of MC algorithm, i.e. the lattice types, the methods of selecting lattice sites, and the neighbors selection for energy calculations, on the simulation results of grain growth are studied. Two methods of regression were compared, and the three-parameter nonlinear regression is much more suitable for fitting the grain growth kinetics. A better model with appropriate factors included triangular lattice, the attempted site randomly selected, and the first and second nearest neighbors for energy calculations is obtained.展开更多
The use of carbon-ion radiotherapy(CIRT)is gradually increasing.Owing to the generation of high-energy secondary neutrons during CIRT,its use presents new challenges in radiation protection.Thus,secondary neutron dose...The use of carbon-ion radiotherapy(CIRT)is gradually increasing.Owing to the generation of high-energy secondary neutrons during CIRT,its use presents new challenges in radiation protection.Thus,secondary neutron dose distributions must be explored and evaluated under clinical scenarios based on different treatment configurations.However,neutron dose and energy spectrum measurements are often difficult.This can be primarily attributed to the inherent limitations of most neutron detectors,such as their unsuitability for spectral measurements and inaccurate responses to neutrons with energies above 20 MeV.Numerical calculation methods based on probabilistic statistical theory are fast and convenient for neutron dose evaluation.In this study,external secondary neutron doses at the heavy ion medical machine in Wuwei,which is equipped with a passive beam delivery system,were calculated using the Monte Carlo method.The dependence of neutron doses on various treatment parameters(incident carbon-ion beam energy,spatial location,field size,and spread-out Bragg peak(SOBP)width)was investigated.Furthermore,the feasibility of applying an analytical model to predict the ambient dose equivalent was verified.For the combination involving an energy of 400 MeV=u and SOBP width of 6 cm,the ambient dose equivalent per therapeutic dose(H=D)at the isocenter was 79.87 mSv=Gy:The H=D value decreased rapidly with increasing spatial distance and slightly with increasing aperture size and SOBP width.The H=D values derived from the Monte Carlo simulations were in good agreement with the results reported in the literature.The analytical model could be used to quickly predict the H=D value along the incidence direction of the beam with an error of less than 20%.Thus,our study contributes to the understanding of the relationship between neutron radiation and treatment configuration parameters,which establishes a basis for predicting non-therapeutic radiation doses in CIRT.展开更多
In loosely coupled or large-scale problems with high dominance ratios,slow fission source convergence can take extremely long time,reducing Monte Carlo(MC)criticality calculation efficiency.Although various accelerati...In loosely coupled or large-scale problems with high dominance ratios,slow fission source convergence can take extremely long time,reducing Monte Carlo(MC)criticality calculation efficiency.Although various acceleration methods have been developed,some methods cannot reduce convergence times,whereas others have been limited to specific problem geometries.In this study,a new fission source convergence acceleration(FSCA)method,the forced propagation(FP)method,has been proposed,which forces the fission source to propagate and accelerate fission source convergence.Additionally,some stabilization techniques have been designed to render the method more practical.The resulting stabilized method was then successfully implemented in the MC transport code,and its feasibility and effectiveness were tested using the modified OECD/NEA,one-dimensional slab benchmark,and the Hoogenboom full-core problem.The comparison results showed that the FP method was able to achieve efficient FSCA.展开更多
A Monte Carlo algorithm has been developed by the authors to simulate the chemical vapor deposition (CVD) processes of diamond films. The method considers both the diffusion and the incorporation of the growth radical...A Monte Carlo algorithm has been developed by the authors to simulate the chemical vapor deposition (CVD) processes of diamond films. The method considers both the diffusion and the incorporation of the growth radicals on the growing surface in simulating the evolution of the morphology and microstructure. The calculation of configuration energy is used to determine the orientation of adsorbed growth radicals. The effect of processing variables such as nucleation density and substrate temperature on the morphology and microstructure is discussed. It is found that competitive characteristic and coarsening effect exist in the simulation results, which agree with the experimental observations.展开更多
Amorphous and crystalline poly (chloro-p-xytylene) (PPX C) membranes are constructed by using a novel com- putational technique, that is, a combined method of NVT+NPT-molecular dynamics (MD) and gradually reduc...Amorphous and crystalline poly (chloro-p-xytylene) (PPX C) membranes are constructed by using a novel com- putational technique, that is, a combined method of NVT+NPT-molecular dynamics (MD) and gradually reducing the size (GRS) methods. The related free volumes are defined as homology clusters. Then the sorption and the permeation of gases in PPX C polymers are studied using grand canonical Monte Carlo (GCMC) and NVT-MD methods. The results show that the crystalline PPX C membranes provide smaller free volumes for absorbing or transferring gases relative to the amorphous PPX C area. The gas sorption in PPX C membranes mainly belongs to the physical one, and H bonds can appear obviously in the amorphous area. By cluster analyzing on the mean square displacement of gases, we find that gases walk along the x axis in the crystalline area and walk randomly in the amorphous area. The calculated permeability coefficients are close to the experimental data.展开更多
One of the most critical and complicated steps in mine design is a selection of suitable mining method based upon geological,geotechnical,geographical,safety and economical parameters.The aim of this study is developi...One of the most critical and complicated steps in mine design is a selection of suitable mining method based upon geological,geotechnical,geographical,safety and economical parameters.The aim of this study is developing a Monte Carlo simulation to selection the optimum mining method by using effective and major criteria and at the same time,taking subjective judgments of decision makers into consideration.Proposed approach is based on the combination of Monte Carlo simulation with conventional Analytic Hierarchy Process(AHP).Monte Carlo simulation is used to determine the confdence level of each alternative’s score,is calculated by AHP,with the respect to the variance of decision makers’opinion.The proposed method is applied for Jajarm Bauxite Mine in Iran and eventually the most appropriate mining methods for this mine are ranked.展开更多
A stratified sampling Monte Carlo method to analyze the reliability of structural systems is presented. Introducing a small exploratory simulation, this method overcomes the difficulties for getting the systematic sam...A stratified sampling Monte Carlo method to analyze the reliability of structural systems is presented. Introducing a small exploratory simulation, this method overcomes the difficulties for getting the systematic sampling probability of all the strata. Several useful and efficient stratification methods are given and the strategies of stratification and simulation are studied. A general conclusion has been presented corresponding to actual engineering structures. The strict theoretical proof has been given,and it is especially effective to solve probabilistic integration. Statistic error of evaluating failure probability is reduced obviously. Especially in highly non-linear and nonreonvex problems, it is more accurate than other methods. Compared with other variance reduction techniques, this method can obtain a more obvious variance reduction and an increased sampling efficiency. Moreover, without strict limiting condition, it is convenient to use. This method is especially suitable to solve the reliability problem of structural systems with multiple failure modes and highly non-linear safety margin equations.展开更多
This paper applies a density functional theory (DFT) and grand canonical Monte Carlo simulations (GCMC) to investigate the physisorptions of molecular hydrogen in single-walled BC3 nanotubes and carbon nanotubes. ...This paper applies a density functional theory (DFT) and grand canonical Monte Carlo simulations (GCMC) to investigate the physisorptions of molecular hydrogen in single-walled BC3 nanotubes and carbon nanotubes. The DFT calculations may provide useful information about the nature of hydrogen adsorption and physisorption energies in selected adsorption sites of these two nanotubes. Furthermore, the GCMC simulations can reproduce their storage capacity by calculating the weight percentage of the adsorbed molecular hydrogen under different conditions. The present results have shown that with both computational methods, the hydrogen storage capacity of BC3 nanotubes is superior to that of carbon nanotubes. The reasons causing different behaviour of hydrogen storage in these two nanotubes are explained by using their contour plots of electron density and charge-density difference.展开更多
Considering the ocean water's optical attenuation and the roughness of the sea surface, we analyze the security of continuous-variable (CV) quantum key distribution (QKD) based Mr-to-water channel. The effects of...Considering the ocean water's optical attenuation and the roughness of the sea surface, we analyze the security of continuous-variable (CV) quantum key distribution (QKD) based Mr-to-water channel. The effects of the absorp- tion and scattering on the transmittance of underwater quantum channel and the maximum secure transmission distance are studied. Considering the roughness of the sea surface, we simulate the performance bounds of CV QKD with different wind speeds using the Monte Carlo method. The results show that even if the secret key rate gradually reduces as the wind speed increases, the maximum transmission distance will not be affected obviously. Compared to the works regarding short-distance underwater optical communication, our research represents a significant step towards establishing secure communication between air platform and submarine vehicle.展开更多
Elastic impedance inversion with high efficiency and high stability has become one of the main directions of seismic pre-stack inversion. The nonlinear elastic impedance inversion method based on a fast Markov chain M...Elastic impedance inversion with high efficiency and high stability has become one of the main directions of seismic pre-stack inversion. The nonlinear elastic impedance inversion method based on a fast Markov chain Monte Carlo (MCMC) method is proposed in this paper, combining conventional MCMC method based on global optimization with a preconditioned conjugate gradient (PCG) algorithm based on local optimization, so this method does not depend strongly on the initial model. It converges to the global optimum quickly and efficiently on the condition that effi- ciency and stability of inversion are both taken into consid- eration at the same time. The test data verify the feasibility and robustness of the method, and based on this method, we extract the effective pore-fluid bulk modulus, which is applied to reservoir fluid identification and detection, and consequently, a better result has been achieved.展开更多
Online assessment of remaining useful life(RUL) of a system or device has been widely studied for performance reliability, production safety, system conditional maintenance, and decision in remanufacturing engineering...Online assessment of remaining useful life(RUL) of a system or device has been widely studied for performance reliability, production safety, system conditional maintenance, and decision in remanufacturing engineering. However,there is no consistency framework to solve the RUL recursive estimation for the complex degenerate systems/device.In this paper, state space model(SSM) with Bayesian online estimation expounded from Markov chain Monte Carlo(MCMC) to Sequential Monte Carlo(SMC) algorithm is presented in order to derive the optimal Bayesian estimation.In the context of nonlinear & non-Gaussian dynamic systems, SMC(also named particle filter, PF) is quite capable of performing filtering and RUL assessment recursively. The underlying deterioration of a system/device is seen as a stochastic process with continuous, nonreversible degrading. The state of the deterioration tendency is filtered and predicted with updating observations through the SMC procedure. The corresponding remaining useful life of the system/device is estimated based on the state degradation and a predefined threshold of the failure with two-sided criterion. The paper presents an application on a milling machine for cutter tool RUL assessment by applying the above proposed methodology. The example shows the promising results and the effectiveness of SSM and SMC online assessment of RUL.展开更多
The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential ene...The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li^+ and F^- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions.展开更多
The ( 1 - x ) La0.67Ca0.33MnO3 ( LCMO ) + x Cr2O3 composites were synthesized by a new liquid phase method. The XRD and SEM meusurements reveal that few Cr2O3 were soluble in the LCMO structure and the lattice co...The ( 1 - x ) La0.67Ca0.33MnO3 ( LCMO ) + x Cr2O3 composites were synthesized by a new liquid phase method. The XRD and SEM meusurements reveal that few Cr2O3 were soluble in the LCMO structure and the lattice constant of LCMO almost did not change, while most Cr2O3 were distributed at the grain boundaries or on surfaces of the LCMO grains. In resistivity versus temperature meusurements, a metal-insalator transition was observed when x 〈 0.20. The resistivity increases and the metal-insalator transition temperature deereases with the increasing content of Cr2O3 . A random resistor network (RRN) model was used to simulate the transport property of the mixture samples. The simulation results agree with the experimental observations. The results show that the method is reasonable for understanding the electronic transport of the composites of the manganite.展开更多
Speckle intensity in the detector plane is deduced in the free-space optical system and imaging system based on Van Cittert-Zemike theorem. The speckle intensity images of plane target and conical target are obtained ...Speckle intensity in the detector plane is deduced in the free-space optical system and imaging system based on Van Cittert-Zemike theorem. The speckle intensity images of plane target and conical target are obtained by using the Monte Carlo method and measured experimentally. The results show that when the range extent of target is smaller, the speckle size along the same direction become longer, and the speckle size increase with increasing incident light wavelengths. The speckle size increases and the speckle intensity images of target is closer to the actual object when the aperture scale augments. These findings are useful to access the target information by speckle in laser radar systems.展开更多
基金Project supported by the Hefei National Research Center for Physical Sciences at the Microscale (Grant No.KF2021002)the Natural Science Foundation of Shanxi Province,China (Grant Nos.202303021221029 and 202103021224051)+2 种基金the National Natural Science Foundation of China (Grant Nos.11975024,12047503,and 12275263)the Anhui Provincial Supporting Program for Excellent Young Talents in Colleges and Universities (Grant No.gxyq ZD2019023)the National Key Research and Development Program of China (Grant No.2018YFA0306501)。
文摘The two-component cold atom systems with anisotropic hopping amplitudes can be phenomenologically described by a two-dimensional Ising-XY coupled model with spatial anisotropy.At low temperatures,theoretical predictions[Phys.Rev.A 72053604(2005)]and[arXiv:0706.1609]indicate the existence of a topological ordered phase characterized by Ising and XY disorder but with 2XY ordering.However,due to ergodic difficulties faced by Monte Carlo methods at low temperatures,this topological phase has not been numerically explored.We propose a linear cluster updating Monte Carlo method,which flips spins without rejection in the anisotropy limit but does not change the energy.Using this scheme and conventional Monte Carlo methods,we succeed in revealing the nature of topological phases with half-vortices and domain walls.In the constructed global phase diagram,Ising and XY-type transitions are very close to each other and differ significantly from the schematic phase diagram reported earlier.We also propose and explore a wide range of quantities,including magnetism,superfluidity,specific heat,susceptibility,and even percolation susceptibility,and obtain consistent and reliable results.Furthermore,we observed first-order transitions characterized by common intersection points in magnetizations for different system sizes,as opposed to the conventional phase transition where Binder cumulants of various sizes share common intersections.The critical exponents of different types of phase transitions are reasonably fitted.The results are useful to help cold atom experiments explore the half-vortex topological phase.
基金the Initiating Research Fund for theReturned Personnel from the State Education Ministry ofChina!( No. 1996-664)
文摘Measures of irregularity of a point set or sequence, such as discrepancy and dispersion, play a central role in quasi Monte Carlo methods. In this paper, we introduce and study a new measure of irregularity, called volume dispersion. It is a measure of deviation of point sets from the uniform distribution. We then generalize the concept of volume dispersion to more general cases as measures of representation of point sets for general probability distributions. Various relations among these measures and the traditional discrepancy and dispersion are investigated.
基金Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0302904 and 2016YFA0300504)the National Natural Science Foundation of China (Grant Nos. U1932215, 11774419, 11574392, and 11974421)+4 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB33010100)the Fundamental Research Funds for the Central Universities,Chinathe Research Funds of Renmin University of China (Grant No. 19XNLG11)the support from Users with Excellence Program of Hefei Science CenterHigh Magnetic Field Facility,CAS
文摘Recently,the family of rare-earth chalcohalides were proposed as candidate compounds to realize the Kitaev spin liquid(KSL)[Chin.Phys.Lett.38047502(2021)].In the present work,we firstly propose an effective spin Hamiltonian consistent with the symmetry group of the crystal structure.Then we apply classical Monte Carlo simulations to preliminarily study the model and establish a phase diagram.When approaching to the low temperature limit,several magnetic long range orders are observed,including the stripe,the zigzag,the antiferromagnetic(AFM),the ferromagnetic(FM),the incommensurate spiral(IS),the multi-Q,and the 120°ones.We further calculate the thermodynamic properties of the system,such as the temperature dependence of the magnetic susceptibility and the heat capacity.The ordering transition temperatures reflected in the two quantities agree with each other.For most interaction regions,the system is magnetically more susceptible in the ab-plane than in the c-direction.The stripe phase is special,where the susceptibility is fairly isotropic in the whole temperature region.These features provide useful information to understand the magnetic properties of related materials.
基金the supports from the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB33000000)the RGC of Hong Kong SAR of China(Grant Nos.17303019,17301420,and AoE/P-701/20)。
文摘We systematically test the performance of several Monte Carlo update schemes for the(2+1)d XY phase transition of quantum rotor model.By comparing the local Metropolis(LM),LM plus over-relaxation(OR),Wolff-cluster(WC),hybrid Monte Carlo(HM),hybrid Monte Carlo with Fourier acceleration(FA)schemes,it is clear that among the five different update schemes,at the quantum critical point,the WC and FA schemes acquire the smallest autocorrelation time and cost the least amount of CPU hours in achieving the same level of relative error,and FA enjoys a further advantage of easily implementable for more complicated interactions such as the long-range ones.These results bestow one with the necessary knowledge of extending the quantum rotor model,which plays the role of ferromagnetic/antiferromagnetic critical bosons or Z_(2)topological order,to more realistic and yet challenging models such as Fermi surface Yukawa-coupled to quantum rotor models.
基金supported by National Natural Science Foundation of China (Grant No. 51075198)Jiangsu Provincial Natural Science Foundation of China (Grant No. BK2010479)+2 种基金Innovation Research of Nanjing Institute of Technology, China (Grant No. CKJ20100008)Jiangsu Provincial Foundation of 333 Talents Engineering of ChinaJiangsu Provincial Foundation of Six Talented Peak of China
文摘Straightness error is an important parameter in measuring high-precision shafts. New generation geometrical product speeifieation(GPS) requires the measurement uncertainty characterizing the reliability of the results should be given together when the measurement result is given. Nowadays most researches on straightness focus on error calculation and only several research projects evaluate the measurement uncertainty based on "The Guide to the Expression of Uncertainty in Measurement(GUM)". In order to compute spatial straightness error(SSE) accurately and rapidly and overcome the limitations of GUM, a quasi particle swarm optimization(QPSO) is proposed to solve the minimum zone SSE and Monte Carlo Method(MCM) is developed to estimate the measurement uncertainty. The mathematical model of minimum zone SSE is formulated. In QPSO quasi-random sequences are applied to the generation of the initial position and velocity of particles and their velocities are modified by the constriction factor approach. The flow of measurement uncertainty evaluation based on MCM is proposed, where the heart is repeatedly sampling from the probability density function(PDF) for every input quantity and evaluating the model in each case. The minimum zone SSE of a shaft measured on a Coordinate Measuring Machine(CMM) is calculated by QPSO and the measurement uncertainty is evaluated by MCM on the basis of analyzing the uncertainty contributors. The results show that the uncertainty directly influences the product judgment result. Therefore it is scientific and reasonable to consider the influence of the uncertainty in judging whether the parts are accepted or rejected, especially for those located in the uncertainty zone. The proposed method is especially suitable when the PDF of the measurand cannot adequately be approximated by a Gaussian distribution or a scaled and shifted t-distribution and the measurement model is non-linear.
基金Project supported by the Special Foundation for State Major Basic Research Program of China (Grant No G2000035602) and the National Natural Science Foundation of China (Grant No 90307006).
文摘A two-dimensional (2D) full band self-consistent ensemble Monte Carlo (MC) method for solving the quantum Boltzmann equation, including collision broadening and quantum potential corrections, is developed to extend the MC method to the study of nano-scale semiconductor devices with obvious quantum mechanical (QM) effects. The quantum effects both in real space and momentum space in nano-scale semiconductor devices can be simulated. The effective mobility in the inversion layer of n and p channel MOSFET is simulated and compared with experimental data to verify this method. With this method 50nm ultra thin body silicon on insulator MOSFET are simulated. Results indicate that this method can be used to simulate the 2D QM effects in semiconductor devices including tunnelling effect.
基金the International Science & Technology Cooperation Project of Shandong Province(2006)the Natural Science Foundation of Shandong Province(Y2007F06).
文摘The microstructures and their kinetics of normal grain growth are simulated using different Monte Carlo (MC) algorithms. Compared with the relative figures and the theoretical normal grain growth exponents of n =0.5, the effects of some factors of MC algorithm, i.e. the lattice types, the methods of selecting lattice sites, and the neighbors selection for energy calculations, on the simulation results of grain growth are studied. Two methods of regression were compared, and the three-parameter nonlinear regression is much more suitable for fitting the grain growth kinetics. A better model with appropriate factors included triangular lattice, the attempted site randomly selected, and the first and second nearest neighbors for energy calculations is obtained.
基金the National Natural Science Foundation of China(Nos.12005271 and 12005273)the National Key Research and Development Program of China(No.E022223Y)+1 种基金the Western Talent Program of Chinese Academy of Sciences(No.29Y86205)the Key Deployment Project of Chinese Academy of Sciences(No.KFZD-SW-222).
文摘The use of carbon-ion radiotherapy(CIRT)is gradually increasing.Owing to the generation of high-energy secondary neutrons during CIRT,its use presents new challenges in radiation protection.Thus,secondary neutron dose distributions must be explored and evaluated under clinical scenarios based on different treatment configurations.However,neutron dose and energy spectrum measurements are often difficult.This can be primarily attributed to the inherent limitations of most neutron detectors,such as their unsuitability for spectral measurements and inaccurate responses to neutrons with energies above 20 MeV.Numerical calculation methods based on probabilistic statistical theory are fast and convenient for neutron dose evaluation.In this study,external secondary neutron doses at the heavy ion medical machine in Wuwei,which is equipped with a passive beam delivery system,were calculated using the Monte Carlo method.The dependence of neutron doses on various treatment parameters(incident carbon-ion beam energy,spatial location,field size,and spread-out Bragg peak(SOBP)width)was investigated.Furthermore,the feasibility of applying an analytical model to predict the ambient dose equivalent was verified.For the combination involving an energy of 400 MeV=u and SOBP width of 6 cm,the ambient dose equivalent per therapeutic dose(H=D)at the isocenter was 79.87 mSv=Gy:The H=D value decreased rapidly with increasing spatial distance and slightly with increasing aperture size and SOBP width.The H=D values derived from the Monte Carlo simulations were in good agreement with the results reported in the literature.The analytical model could be used to quickly predict the H=D value along the incidence direction of the beam with an error of less than 20%.Thus,our study contributes to the understanding of the relationship between neutron radiation and treatment configuration parameters,which establishes a basis for predicting non-therapeutic radiation doses in CIRT.
基金supported by the National Natural Science Foundation of China(Nos.11775126,11545013,11605101)the Young Elite Scientists Sponsorship Program by CAST(No.2016QNRC001)+1 种基金Science Challenge Project by MIIT of China(No.TZ2018001)Tsinghua University,Initiative Scientific Research Program。
文摘In loosely coupled or large-scale problems with high dominance ratios,slow fission source convergence can take extremely long time,reducing Monte Carlo(MC)criticality calculation efficiency.Although various acceleration methods have been developed,some methods cannot reduce convergence times,whereas others have been limited to specific problem geometries.In this study,a new fission source convergence acceleration(FSCA)method,the forced propagation(FP)method,has been proposed,which forces the fission source to propagate and accelerate fission source convergence.Additionally,some stabilization techniques have been designed to render the method more practical.The resulting stabilized method was then successfully implemented in the MC transport code,and its feasibility and effectiveness were tested using the modified OECD/NEA,one-dimensional slab benchmark,and the Hoogenboom full-core problem.The comparison results showed that the FP method was able to achieve efficient FSCA.
文摘A Monte Carlo algorithm has been developed by the authors to simulate the chemical vapor deposition (CVD) processes of diamond films. The method considers both the diffusion and the incorporation of the growth radicals on the growing surface in simulating the evolution of the morphology and microstructure. The calculation of configuration energy is used to determine the orientation of adsorbed growth radicals. The effect of processing variables such as nucleation density and substrate temperature on the morphology and microstructure is discussed. It is found that competitive characteristic and coarsening effect exist in the simulation results, which agree with the experimental observations.
基金Project supported by the National Natural Science Foundation (Grant No. 11011120241 and 11076002)the China Academy of Engineering Physics "Double Hundred Talents Project" Candidates Optional Subjects (Grant Nos. 2008Rc01 and ZX03010)the China Academy of Engineering Physics Science and Technology Development Fund (Grant No. 2010A0302012)
文摘Amorphous and crystalline poly (chloro-p-xytylene) (PPX C) membranes are constructed by using a novel com- putational technique, that is, a combined method of NVT+NPT-molecular dynamics (MD) and gradually reducing the size (GRS) methods. The related free volumes are defined as homology clusters. Then the sorption and the permeation of gases in PPX C polymers are studied using grand canonical Monte Carlo (GCMC) and NVT-MD methods. The results show that the crystalline PPX C membranes provide smaller free volumes for absorbing or transferring gases relative to the amorphous PPX C area. The gas sorption in PPX C membranes mainly belongs to the physical one, and H bonds can appear obviously in the amorphous area. By cluster analyzing on the mean square displacement of gases, we find that gases walk along the x axis in the crystalline area and walk randomly in the amorphous area. The calculated permeability coefficients are close to the experimental data.
文摘One of the most critical and complicated steps in mine design is a selection of suitable mining method based upon geological,geotechnical,geographical,safety and economical parameters.The aim of this study is developing a Monte Carlo simulation to selection the optimum mining method by using effective and major criteria and at the same time,taking subjective judgments of decision makers into consideration.Proposed approach is based on the combination of Monte Carlo simulation with conventional Analytic Hierarchy Process(AHP).Monte Carlo simulation is used to determine the confdence level of each alternative’s score,is calculated by AHP,with the respect to the variance of decision makers’opinion.The proposed method is applied for Jajarm Bauxite Mine in Iran and eventually the most appropriate mining methods for this mine are ranked.
文摘A stratified sampling Monte Carlo method to analyze the reliability of structural systems is presented. Introducing a small exploratory simulation, this method overcomes the difficulties for getting the systematic sampling probability of all the strata. Several useful and efficient stratification methods are given and the strategies of stratification and simulation are studied. A general conclusion has been presented corresponding to actual engineering structures. The strict theoretical proof has been given,and it is especially effective to solve probabilistic integration. Statistic error of evaluating failure probability is reduced obviously. Especially in highly non-linear and nonreonvex problems, it is more accurate than other methods. Compared with other variance reduction techniques, this method can obtain a more obvious variance reduction and an increased sampling efficiency. Moreover, without strict limiting condition, it is convenient to use. This method is especially suitable to solve the reliability problem of structural systems with multiple failure modes and highly non-linear safety margin equations.
基金Project supported by Henan University of Technology Foundation (Grant No. 2009BS025)China Academy of Engineering Physics Foundation (Grant No. 2007B08008)
文摘This paper applies a density functional theory (DFT) and grand canonical Monte Carlo simulations (GCMC) to investigate the physisorptions of molecular hydrogen in single-walled BC3 nanotubes and carbon nanotubes. The DFT calculations may provide useful information about the nature of hydrogen adsorption and physisorption energies in selected adsorption sites of these two nanotubes. Furthermore, the GCMC simulations can reproduce their storage capacity by calculating the weight percentage of the adsorbed molecular hydrogen under different conditions. The present results have shown that with both computational methods, the hydrogen storage capacity of BC3 nanotubes is superior to that of carbon nanotubes. The reasons causing different behaviour of hydrogen storage in these two nanotubes are explained by using their contour plots of electron density and charge-density difference.
基金Supported by the National Natural Science Foundation of China under Grant No 61572529
文摘Considering the ocean water's optical attenuation and the roughness of the sea surface, we analyze the security of continuous-variable (CV) quantum key distribution (QKD) based Mr-to-water channel. The effects of the absorp- tion and scattering on the transmittance of underwater quantum channel and the maximum secure transmission distance are studied. Considering the roughness of the sea surface, we simulate the performance bounds of CV QKD with different wind speeds using the Monte Carlo method. The results show that even if the secret key rate gradually reduces as the wind speed increases, the maximum transmission distance will not be affected obviously. Compared to the works regarding short-distance underwater optical communication, our research represents a significant step towards establishing secure communication between air platform and submarine vehicle.
基金the sponsorship of the National Basic Research Program of China (973 Program,2013CB228604,2014CB239201)the National Oil and Gas Major Projects of China (2011ZX05014-001-010HZ,2011ZX05014-001-006-XY570) for their funding of this research
文摘Elastic impedance inversion with high efficiency and high stability has become one of the main directions of seismic pre-stack inversion. The nonlinear elastic impedance inversion method based on a fast Markov chain Monte Carlo (MCMC) method is proposed in this paper, combining conventional MCMC method based on global optimization with a preconditioned conjugate gradient (PCG) algorithm based on local optimization, so this method does not depend strongly on the initial model. It converges to the global optimum quickly and efficiently on the condition that effi- ciency and stability of inversion are both taken into consid- eration at the same time. The test data verify the feasibility and robustness of the method, and based on this method, we extract the effective pore-fluid bulk modulus, which is applied to reservoir fluid identification and detection, and consequently, a better result has been achieved.
基金Supported by Basic Research and Development Plan of China (973 Program,Grant Nos.2011CB013401,2011CB013402)Special Fundamental Research Funds for Central Universities of China(Grant No.DUT14QY21)
文摘Online assessment of remaining useful life(RUL) of a system or device has been widely studied for performance reliability, production safety, system conditional maintenance, and decision in remanufacturing engineering. However,there is no consistency framework to solve the RUL recursive estimation for the complex degenerate systems/device.In this paper, state space model(SSM) with Bayesian online estimation expounded from Markov chain Monte Carlo(MCMC) to Sequential Monte Carlo(SMC) algorithm is presented in order to derive the optimal Bayesian estimation.In the context of nonlinear & non-Gaussian dynamic systems, SMC(also named particle filter, PF) is quite capable of performing filtering and RUL assessment recursively. The underlying deterioration of a system/device is seen as a stochastic process with continuous, nonreversible degrading. The state of the deterioration tendency is filtered and predicted with updating observations through the SMC procedure. The corresponding remaining useful life of the system/device is estimated based on the state degradation and a predefined threshold of the failure with two-sided criterion. The paper presents an application on a milling machine for cutter tool RUL assessment by applying the above proposed methodology. The example shows the promising results and the effectiveness of SSM and SMC online assessment of RUL.
文摘The structure and behaviour of LiF-KF solution,as a typical common-anion system,has been simulated by Monte Carlo method.The calculation of partial radial distribution function of ions,heat of mixing and potential energy distribution shows that the average distance be- tween Li^+ and F^- ions will significantly narrow after mixing of molten LiF and KF.This is very similar to the lean-on-one-side effect in molten LiF-KCl solution.The calculated heat of mixing is in fair agreement with the measured one.The dominant source of the energy of mixing may be that the decrease of the repulsion energy between cations,the decrease of the attraction energy between cations and anions,and the decrease of the repulsion energy be- tween anions.
基金Funded by the Wuhan Chenguang Project (No.20055003059-27)
文摘The ( 1 - x ) La0.67Ca0.33MnO3 ( LCMO ) + x Cr2O3 composites were synthesized by a new liquid phase method. The XRD and SEM meusurements reveal that few Cr2O3 were soluble in the LCMO structure and the lattice constant of LCMO almost did not change, while most Cr2O3 were distributed at the grain boundaries or on surfaces of the LCMO grains. In resistivity versus temperature meusurements, a metal-insalator transition was observed when x 〈 0.20. The resistivity increases and the metal-insalator transition temperature deereases with the increasing content of Cr2O3 . A random resistor network (RRN) model was used to simulate the transport property of the mixture samples. The simulation results agree with the experimental observations. The results show that the method is reasonable for understanding the electronic transport of the composites of the manganite.
基金Project supported by the National Natural Sciences Foundation of China(Grant No.61172031)the Fundamental Research Funds for the Central Universities of China(Grant No.K50511070005)
文摘Speckle intensity in the detector plane is deduced in the free-space optical system and imaging system based on Van Cittert-Zemike theorem. The speckle intensity images of plane target and conical target are obtained by using the Monte Carlo method and measured experimentally. The results show that when the range extent of target is smaller, the speckle size along the same direction become longer, and the speckle size increase with increasing incident light wavelengths. The speckle size increases and the speckle intensity images of target is closer to the actual object when the aperture scale augments. These findings are useful to access the target information by speckle in laser radar systems.