The elementary reactions of propylene polymerization catalyzed by conventional Ziegler-Natta catalysts was proposed according to the comprehensive view and without considering the effect of any impurity in the materia...The elementary reactions of propylene polymerization catalyzed by conventional Ziegler-Natta catalysts was proposed according to the comprehensive view and without considering the effect of any impurity in the material on propylene polymerization. The Monte Carlo simulation technique was employed to investigate the kinetics of propylene polymerization in order to determine the validity of the stationary state assumption and the effects of the polymerization temperature on the polymerization. The simulated total amount of active species, which only increases quickly at the beginning of the polymerization, indicates that the stationary state assumption in the studied system is valid. Moreover, significant effects of polymerization temperature on the polymerization conversion, and the molecular weight and its distribution were also analyzed. The simulated results show that the consumption rate of propylene increases with the increase of polymerization temperature; the maximum values of the number-average degree of polymerization are constant at different polymerization temperatures, however, the peak appears earlier with the higher temperature; as the polymerization temperature increases, the average molecular weight decreases and the molecular weight distribution changes greatly.展开更多
To get the probability of long span bridges under the influence of external random factors, the Monte Carlo method using Latin hypercube sampling is applied. Combined with the condition assessment system on Runyang Su...To get the probability of long span bridges under the influence of external random factors, the Monte Carlo method using Latin hypercube sampling is applied. Combined with the condition assessment system on Runyang Suspension Bridge, which is the longest suspension bridge in China, the structural probabilities in normal and damaged situations are calculated with the external random factors considered including environmental temperature, wind load, load of vehicles, etc. The main assessment items contain the maximal vertical displacement of girder, the maximal stress of cables, the maximal horizontal displacement of towers etc. Finally, the probabilities and their cumulative distribution functions are provided. The analysis results can be plotted on line in a clear and vivid way, so the efficiency of assessment is increased and the decision-making of maintenance is more objective and accurate.展开更多
Considering the tunneling effect and the Schottky effect,the metal semiconductor contact is simulated by using self consistent ensemble Monte Carlo method.Under different biases or at different barrier heights,the i...Considering the tunneling effect and the Schottky effect,the metal semiconductor contact is simulated by using self consistent ensemble Monte Carlo method.Under different biases or at different barrier heights,the investigation into the tunneling current indicates that the tunneling effect is of great importance under reverse biases.The Schottky barrier diode current due to Schottky effect is in agreement with the theoretical one.The barrier lowering is found a profound effect on the current transport at the metal semiconductor interface.展开更多
The Monte Carlo simulators with the three valley model and the full band Monte Carlo model are used to explore electron transport in bulk wurtzite gallium nitride (GaN).Comparison of the results based on the two mode...The Monte Carlo simulators with the three valley model and the full band Monte Carlo model are used to explore electron transport in bulk wurtzite gallium nitride (GaN).Comparison of the results based on the two models is made.The results based on both models are basically the same at the lower field region,but exhibit some differences at the higher field region.The electron average energy exhibits obvious difference at the high field region between the two models.This difference further causes several other differences of GaN properties,such as the drift velocity versus field characteristics,the repopulation.Because of the complicated energy band structures at the high energy region for wurtzite GaN,the analytical band structures in the three valley model can not cover all properties of the band structures of wurtzite GaN,so the results based on the full band Monte Carlo model should be more exact.展开更多
The schemes and effects of electronically jamming GPS’s C/A code receivers are studied by using CW as the narrow band jamming signal and BPSK signal modulated by Gold code which is incoherent to that adopted by GPS ...The schemes and effects of electronically jamming GPS’s C/A code receivers are studied by using CW as the narrow band jamming signal and BPSK signal modulated by Gold code which is incoherent to that adopted by GPS as the wide band one. By simulating with Monte Carlo method and programming in Matlab language, the various jamming results in terms of bit error rate under several jamming scenarios are obtained. Through analyzing the simulation results and quantitative dependences of jamming effects on the distance from jammer to GPS receiver and the jammer’s height over ground, it is concluded that jamming with wide band jammer is much more effective than that with narrow band one.展开更多
In order to improve crash occurrence models to account for the influence of various contributing factors, a conditional autoregressive negative binomial (CAR-NB) model is employed to allow for overdispersion (tackl...In order to improve crash occurrence models to account for the influence of various contributing factors, a conditional autoregressive negative binomial (CAR-NB) model is employed to allow for overdispersion (tackled by the NB component), unobserved heterogeneity and spatial autocorrelation (captured by the CAR process), using Markov chain Monte Carlo methods and the Gibbs sampler. Statistical tests suggest that the CAR-NB model is preferred over the CAR-Poisson, NB, zero-inflated Poisson, zero-inflated NB models, due to its lower prediction errors and more robust parameter inference. The study results show that crash frequency and fatalities are positively associated with the number of lanes, curve length, annual average daily traffic (AADT) per lane, as well as rainfall. Speed limit and the distances to the nearest hospitals have negative associations with segment-based crash counts but positive associations with fatality counts, presumably as a result of worsened collision impacts at higher speed and time loss during transporting crash victims.展开更多
The mean path length(MPL)of photons is a critical parameter to calculate tissue absorption coefficient as well as blood oxygenation using modified Beer-Lambert law,where in the differential path factor(DPF)is often as...The mean path length(MPL)of photons is a critical parameter to calculate tissue absorption coefficient as well as blood oxygenation using modified Beer-Lambert law,where in the differential path factor(DPF)is often assumed as constant over range of tissue absorption.By utilizing the Monte Carlo(MC)simulation of photon migrations in the leg,this study used four approaches to estimate MPL,and compared them with that determined by the MPL definition.The simulation results indicate that the DPF is remarkably affected by tissue absorption,at approximate 10% variation.A linear model is suggested to calculate MPL for measurements of tissue absorption as well as blood oxygenation using modified Beer-Lambert law.展开更多
Monte Carlo methods are used to analyze yields and performance of GaAs flash ADCs. Due to the nonuniformity of threshold voltage,the DNL and INL of flash ADC will decrease approximately linearly. And the higher the re...Monte Carlo methods are used to analyze yields and performance of GaAs flash ADCs. Due to the nonuniformity of threshold voltage,the DNL and INL of flash ADC will decrease approximately linearly. And the higher the resolution of ADC is, the faster these key nonlinear parameters decrease. When the nonuniformity increases to some degree,the yields of GaAs flash ADCs will decrease exponentially,and the missing code will increase more quickly for the higher resolution ADCs. So,GaAs HBT and HEMT with technology of etching stop will be widely used in high speed and high resolution ADCs.展开更多
To evaluae small animal imaging with individual different high voltage, filter thickness and tube current, an animal X-ray micro-computed tomography (micro-CT) system based on panel detector is developed and a rat i...To evaluae small animal imaging with individual different high voltage, filter thickness and tube current, an animal X-ray micro-computed tomography (micro-CT) system based on panel detector is developed and a rat is scanned by using the system with individual high voltage, tube current, filter thickness, and exposure time. A model is presented based on the Monte Carlo code PENELOPE for generating the X-ray spectra of X-ray tube used in the micro-CT system. A platform developed based on Matlab allows for calculating beam quality parameters, including the average energy of X-ray beam, the change of transmition rate and the input X-ray fluence. The factors affecting the signal difference to noise ratio (SDNR) of micro-CT are investigated and the relationship between SDNR and scan combinations is analyzed. A series of tools and methods are developed for small animal imaging and imaging performance evaluation in the field of small animal imaging.展开更多
An approach for generating test problems by a computer using the Monte Carlo method based upon user-given characterizations is described.A single point X~* is prespocified by the user to be a solution of the test prob...An approach for generating test problems by a computer using the Monte Carlo method based upon user-given characterizations is described.A single point X~* is prespocified by the user to be a solution of the test problems.The approach is flex- ible enough to specify function values,gradients,Hesse,degeneracy degree and ill- conditioned degree at the point X~*.Other numerical features such as indefiniteness, convexity are also under user's control.展开更多
Combined with current specifications and stress characteristics of concrete filled steel tubular (CFST) arch bridges, the determination principle of safe-middle-failure threestage mode is given. Accordingly, damage ...Combined with current specifications and stress characteristics of concrete filled steel tubular (CFST) arch bridges, the determination principle of safe-middle-failure threestage mode is given. Accordingly, damage probability and failure probability and the corresponding reliability indices are calculated; a direct relationship between reliability indices and three-stage working status is made. Based on the three-stage working mode, a combined FNM (finite element-neural network- Monte-Carlo simulation) method is put forward to estimate the reliability of existing bridges. According to time-dependent reliability theory, subsequent service time is divided into several stages; minimum samples required by the Monte-Carlo method are generated by random sampling; training samples are calculated by the finite element method, and the training samples are extended by the neural network; failure probability and damage probability are calculated by the Monte-Carlo method. Thus, time dependent reliability indices are obtained, and the working status is judged. A case study is investigated to estimate the reliability of an actual bridge by the FNM method. The bridge is a CFST arch bridge with an 83.6 m span and it has been in operation for 10 years. According to analysis results, in the tenth year, the example bridge is still in safe status. This conclusion is consistent with the facts, which proves the feasibility of the FNM method for estimating the reliability of existing bridges.展开更多
Hydrogenated microcrystalline silicon (~c-Si:H) films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition (HWCVD). The growth-front roughening processes of the μc-Si..H fil...Hydrogenated microcrystalline silicon (~c-Si:H) films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition (HWCVD). The growth-front roughening processes of the μc-Si..H films were investi- gated by atomic force microscopy. According to the scaling theory, the growth exponent β≈0.67, the roughness exponent α≈0.80,and the dynamic exponent 1/z = 0.40 are obtained. These scaling exponents cannot be explained well by the known growth models. An attempt at Monte Carlo simulation has been made to describe the growth process of μc-Si: H film using a particle reemission model where the incident flux distribution,the type and concentration of growth radical, and sticking,reemission,shadowing mechanisms all contributed to the growing morphology.展开更多
The oscillation behavior of a two-dimension lattice-gas Brusselator model was investigated. We have adopted a coarse-grained kinetic Monte Carlo (CG-KMC) procedure, where m×m microscopic lattice sites are group...The oscillation behavior of a two-dimension lattice-gas Brusselator model was investigated. We have adopted a coarse-grained kinetic Monte Carlo (CG-KMC) procedure, where m×m microscopic lattice sites are grouped together to form a CG cell, upon which CG processes take place with well-defined CG rates. Such a CG approach almost fails if the CG rates are obtained by a simple local mean field (s-LMF) approximation, due to the ignorance of correlation among adjcent cells resulting fl'om the trimolecular reaction in this nonlinear system. By proper incorporating such boundary effects, thus introduce the so-cMled b-LMF CG approach. Extensive numerical simulations demonstrate that the b-LMF method can reproduce the oscillation behavior of the system quite well, given that the diffusion constant is not too small. In addition, the deviation from the KMC results reaches a nearly zero minimum level at an intermediate cell size, which lies in between the effective diffusion length and the minimal size required to sustain a well-defined temporal oscillation.展开更多
The performance in vibration environment of switching apparatus containing mechanical contact is an important element when judging the apparatus’s reliability. A piecewise linear two-degrees-of-freedom mathematical m...The performance in vibration environment of switching apparatus containing mechanical contact is an important element when judging the apparatus’s reliability. A piecewise linear two-degrees-of-freedom mathematical model considering contact loss was built in this work, and the vibration performance of the model under random external Gaussian white noise excitation was investigated by using Monte Carlo simulation in Matlab/Simulink. Simulation showed that the spectral content and statistical characters of the contact force coincided strongly with reality. The random vibration character of the contact system was solved using time (numerical) domain simulation in this paper. Conclusions reached here are of great importance for reliability design of switching apparatus.展开更多
On basis of bond dissociation energies (BDEs) for BH2, B(OH)2, BCl2, and BCl, the diffusion Monte Carlo (DMC) method is applied to explore the BDEs of HB-H, HOB-OH, ClB-Cl, and B-Cl. The effect of the choice of ...On basis of bond dissociation energies (BDEs) for BH2, B(OH)2, BCl2, and BCl, the diffusion Monte Carlo (DMC) method is applied to explore the BDEs of HB-H, HOB-OH, ClB-Cl, and B-Cl. The effect of the choice of orbitals, as well as the backflow transformation, is studied. The Slater-Jastrow DMC algorithm gives BDEs of 359.1±0.12 kJ/mol for HB-H, 410.5±0.50 kJ/mol for HOB-OH, 357.8±1.46 kJ/mol for ClB-Cl, and 504.5±0.96 kJ/mol for B-Cl using B3PW91 orbitals and similar BDEs when B3LYP orbitals are used. DMC with backflow corrections (BF-DMC) gives a HB-H BDE of 369.9±0.12 kJ/mol which is close to one of the available experimental value (375.8 kJ/mol). In the case of HOB-OH BDE, the BF-DMC calculation is 446.04-1.84 k J/mol that is closer to the experimental BDE. The BF-DMC BDE for ClB-Cl is 343.2±2.34 kJ/mol and the BF-DMC B-Cl BDE is 523.3±0.33 kJ/mol, which are close to the experimental BDEs, 341.9 and 530.0 kJ/mol, respectively.展开更多
基金The National Natural Science Foundation of China(No.20406016)the Project of Fujian Petrochemical Company of SIN-OPEC (No.MS/FJ-08-JS-15-2005-01).
文摘The elementary reactions of propylene polymerization catalyzed by conventional Ziegler-Natta catalysts was proposed according to the comprehensive view and without considering the effect of any impurity in the material on propylene polymerization. The Monte Carlo simulation technique was employed to investigate the kinetics of propylene polymerization in order to determine the validity of the stationary state assumption and the effects of the polymerization temperature on the polymerization. The simulated total amount of active species, which only increases quickly at the beginning of the polymerization, indicates that the stationary state assumption in the studied system is valid. Moreover, significant effects of polymerization temperature on the polymerization conversion, and the molecular weight and its distribution were also analyzed. The simulated results show that the consumption rate of propylene increases with the increase of polymerization temperature; the maximum values of the number-average degree of polymerization are constant at different polymerization temperatures, however, the peak appears earlier with the higher temperature; as the polymerization temperature increases, the average molecular weight decreases and the molecular weight distribution changes greatly.
文摘To get the probability of long span bridges under the influence of external random factors, the Monte Carlo method using Latin hypercube sampling is applied. Combined with the condition assessment system on Runyang Suspension Bridge, which is the longest suspension bridge in China, the structural probabilities in normal and damaged situations are calculated with the external random factors considered including environmental temperature, wind load, load of vehicles, etc. The main assessment items contain the maximal vertical displacement of girder, the maximal stress of cables, the maximal horizontal displacement of towers etc. Finally, the probabilities and their cumulative distribution functions are provided. The analysis results can be plotted on line in a clear and vivid way, so the efficiency of assessment is increased and the decision-making of maintenance is more objective and accurate.
文摘Considering the tunneling effect and the Schottky effect,the metal semiconductor contact is simulated by using self consistent ensemble Monte Carlo method.Under different biases or at different barrier heights,the investigation into the tunneling current indicates that the tunneling effect is of great importance under reverse biases.The Schottky barrier diode current due to Schottky effect is in agreement with the theoretical one.The barrier lowering is found a profound effect on the current transport at the metal semiconductor interface.
文摘The Monte Carlo simulators with the three valley model and the full band Monte Carlo model are used to explore electron transport in bulk wurtzite gallium nitride (GaN).Comparison of the results based on the two models is made.The results based on both models are basically the same at the lower field region,but exhibit some differences at the higher field region.The electron average energy exhibits obvious difference at the high field region between the two models.This difference further causes several other differences of GaN properties,such as the drift velocity versus field characteristics,the repopulation.Because of the complicated energy band structures at the high energy region for wurtzite GaN,the analytical band structures in the three valley model can not cover all properties of the band structures of wurtzite GaN,so the results based on the full band Monte Carlo model should be more exact.
文摘The schemes and effects of electronically jamming GPS’s C/A code receivers are studied by using CW as the narrow band jamming signal and BPSK signal modulated by Gold code which is incoherent to that adopted by GPS as the wide band one. By simulating with Monte Carlo method and programming in Matlab language, the various jamming results in terms of bit error rate under several jamming scenarios are obtained. Through analyzing the simulation results and quantitative dependences of jamming effects on the distance from jammer to GPS receiver and the jammer’s height over ground, it is concluded that jamming with wide band jammer is much more effective than that with narrow band one.
基金The National Science Foundation by Changjiang Scholarship of Ministry of Education of China(No.BCS-0527508)the Joint Research Fund for Overseas Natural Science of China(No.51250110075)+1 种基金the Natural Science Foundation of Jiangsu Province(No.SBK200910046)the Postdoctoral Science Foundation of Jiangsu Province(No.0901005C)
文摘In order to improve crash occurrence models to account for the influence of various contributing factors, a conditional autoregressive negative binomial (CAR-NB) model is employed to allow for overdispersion (tackled by the NB component), unobserved heterogeneity and spatial autocorrelation (captured by the CAR process), using Markov chain Monte Carlo methods and the Gibbs sampler. Statistical tests suggest that the CAR-NB model is preferred over the CAR-Poisson, NB, zero-inflated Poisson, zero-inflated NB models, due to its lower prediction errors and more robust parameter inference. The study results show that crash frequency and fatalities are positively associated with the number of lanes, curve length, annual average daily traffic (AADT) per lane, as well as rainfall. Speed limit and the distances to the nearest hospitals have negative associations with segment-based crash counts but positive associations with fatality counts, presumably as a result of worsened collision impacts at higher speed and time loss during transporting crash victims.
基金Research Funds from North University of China(No.130087)
文摘The mean path length(MPL)of photons is a critical parameter to calculate tissue absorption coefficient as well as blood oxygenation using modified Beer-Lambert law,where in the differential path factor(DPF)is often assumed as constant over range of tissue absorption.By utilizing the Monte Carlo(MC)simulation of photon migrations in the leg,this study used four approaches to estimate MPL,and compared them with that determined by the MPL definition.The simulation results indicate that the DPF is remarkably affected by tissue absorption,at approximate 10% variation.A linear model is suggested to calculate MPL for measurements of tissue absorption as well as blood oxygenation using modified Beer-Lambert law.
文摘Monte Carlo methods are used to analyze yields and performance of GaAs flash ADCs. Due to the nonuniformity of threshold voltage,the DNL and INL of flash ADC will decrease approximately linearly. And the higher the resolution of ADC is, the faster these key nonlinear parameters decrease. When the nonuniformity increases to some degree,the yields of GaAs flash ADCs will decrease exponentially,and the missing code will increase more quickly for the higher resolution ADCs. So,GaAs HBT and HEMT with technology of etching stop will be widely used in high speed and high resolution ADCs.
基金Supported by the National Natural Science Foundation of China (60672104,10527003)the Nation-al Basic Research Program of China ("973"Program)(2006CB705705)the Joint Research Foundation of Beijing Mu-nicipal Commission of Education (JD100010607)~~
文摘To evaluae small animal imaging with individual different high voltage, filter thickness and tube current, an animal X-ray micro-computed tomography (micro-CT) system based on panel detector is developed and a rat is scanned by using the system with individual high voltage, tube current, filter thickness, and exposure time. A model is presented based on the Monte Carlo code PENELOPE for generating the X-ray spectra of X-ray tube used in the micro-CT system. A platform developed based on Matlab allows for calculating beam quality parameters, including the average energy of X-ray beam, the change of transmition rate and the input X-ray fluence. The factors affecting the signal difference to noise ratio (SDNR) of micro-CT are investigated and the relationship between SDNR and scan combinations is analyzed. A series of tools and methods are developed for small animal imaging and imaging performance evaluation in the field of small animal imaging.
文摘An approach for generating test problems by a computer using the Monte Carlo method based upon user-given characterizations is described.A single point X~* is prespocified by the user to be a solution of the test problems.The approach is flex- ible enough to specify function values,gradients,Hesse,degeneracy degree and ill- conditioned degree at the point X~*.Other numerical features such as indefiniteness, convexity are also under user's control.
基金The National Natural Science Foundation of China(No.10672060)
文摘Combined with current specifications and stress characteristics of concrete filled steel tubular (CFST) arch bridges, the determination principle of safe-middle-failure threestage mode is given. Accordingly, damage probability and failure probability and the corresponding reliability indices are calculated; a direct relationship between reliability indices and three-stage working status is made. Based on the three-stage working mode, a combined FNM (finite element-neural network- Monte-Carlo simulation) method is put forward to estimate the reliability of existing bridges. According to time-dependent reliability theory, subsequent service time is divided into several stages; minimum samples required by the Monte-Carlo method are generated by random sampling; training samples are calculated by the finite element method, and the training samples are extended by the neural network; failure probability and damage probability are calculated by the Monte-Carlo method. Thus, time dependent reliability indices are obtained, and the working status is judged. A case study is investigated to estimate the reliability of an actual bridge by the FNM method. The bridge is a CFST arch bridge with an 83.6 m span and it has been in operation for 10 years. According to analysis results, in the tenth year, the example bridge is still in safe status. This conclusion is consistent with the facts, which proves the feasibility of the FNM method for estimating the reliability of existing bridges.
文摘Hydrogenated microcrystalline silicon (~c-Si:H) films with a high deposition rate of 1.2nm/s were prepared by hot-wire chemical vapor deposition (HWCVD). The growth-front roughening processes of the μc-Si..H films were investi- gated by atomic force microscopy. According to the scaling theory, the growth exponent β≈0.67, the roughness exponent α≈0.80,and the dynamic exponent 1/z = 0.40 are obtained. These scaling exponents cannot be explained well by the known growth models. An attempt at Monte Carlo simulation has been made to describe the growth process of μc-Si: H film using a particle reemission model where the incident flux distribution,the type and concentration of growth radical, and sticking,reemission,shadowing mechanisms all contributed to the growing morphology.
文摘The oscillation behavior of a two-dimension lattice-gas Brusselator model was investigated. We have adopted a coarse-grained kinetic Monte Carlo (CG-KMC) procedure, where m×m microscopic lattice sites are grouped together to form a CG cell, upon which CG processes take place with well-defined CG rates. Such a CG approach almost fails if the CG rates are obtained by a simple local mean field (s-LMF) approximation, due to the ignorance of correlation among adjcent cells resulting fl'om the trimolecular reaction in this nonlinear system. By proper incorporating such boundary effects, thus introduce the so-cMled b-LMF CG approach. Extensive numerical simulations demonstrate that the b-LMF method can reproduce the oscillation behavior of the system quite well, given that the diffusion constant is not too small. In addition, the deviation from the KMC results reaches a nearly zero minimum level at an intermediate cell size, which lies in between the effective diffusion length and the minimal size required to sustain a well-defined temporal oscillation.
基金Project (No. FEBQ24409102) supported by the Space Technology Innovation Fund, China
文摘The performance in vibration environment of switching apparatus containing mechanical contact is an important element when judging the apparatus’s reliability. A piecewise linear two-degrees-of-freedom mathematical model considering contact loss was built in this work, and the vibration performance of the model under random external Gaussian white noise excitation was investigated by using Monte Carlo simulation in Matlab/Simulink. Simulation showed that the spectral content and statistical characters of the contact force coincided strongly with reality. The random vibration character of the contact system was solved using time (numerical) domain simulation in this paper. Conclusions reached here are of great importance for reliability design of switching apparatus.
文摘On basis of bond dissociation energies (BDEs) for BH2, B(OH)2, BCl2, and BCl, the diffusion Monte Carlo (DMC) method is applied to explore the BDEs of HB-H, HOB-OH, ClB-Cl, and B-Cl. The effect of the choice of orbitals, as well as the backflow transformation, is studied. The Slater-Jastrow DMC algorithm gives BDEs of 359.1±0.12 kJ/mol for HB-H, 410.5±0.50 kJ/mol for HOB-OH, 357.8±1.46 kJ/mol for ClB-Cl, and 504.5±0.96 kJ/mol for B-Cl using B3PW91 orbitals and similar BDEs when B3LYP orbitals are used. DMC with backflow corrections (BF-DMC) gives a HB-H BDE of 369.9±0.12 kJ/mol which is close to one of the available experimental value (375.8 kJ/mol). In the case of HOB-OH BDE, the BF-DMC calculation is 446.04-1.84 k J/mol that is closer to the experimental BDE. The BF-DMC BDE for ClB-Cl is 343.2±2.34 kJ/mol and the BF-DMC B-Cl BDE is 523.3±0.33 kJ/mol, which are close to the experimental BDEs, 341.9 and 530.0 kJ/mol, respectively.