In public health,simulation modeling stands as an invaluable asset,enabling the evaluation of new systems without their physical implementation,experimentation with existing systems without operational adjustments,and...In public health,simulation modeling stands as an invaluable asset,enabling the evaluation of new systems without their physical implementation,experimentation with existing systems without operational adjustments,and testing system limits without real-world repercussions.In simulation modeling,the Monte Carlo method emerges as a powerful yet underutilized tool.Although the Monte Carlo method has not yet gained widespread prominence in healthcare,its technological capabilities hold promise for substantial cost reduction and risk mitigation.In this review article,we aimed to explore the transformative potential of the Monte Carlo method in healthcare contexts.We underscore the significance of experiential insights derived from simulated experimentation,especially in resource-constrained scenarios where time,financial constraints,and limited resources necessitate innovative and efficient approaches.As public health faces increasing challenges,incorporating the Monte Carlo method presents an opportunity for enhanced system construction,analysis,and evaluation.展开更多
This paper deals with the procedure and methodology which can be used to select the optimal treatment and disposal technology of municipal solid waste (MSW), and to provide practical and effective technical support ...This paper deals with the procedure and methodology which can be used to select the optimal treatment and disposal technology of municipal solid waste (MSW), and to provide practical and effective technical support to policy-making, on the basis of study on solid waste management status and development trend in China and abroad. Focusing on various treatment and disposal technologies and processes of MSW, this study established a Monte-Carlo mathematical model of cost minimization for MSW handling subjected to environmental constraints. A new method of element stream (such as C, H, O, N, S) analysis in combination with economic stream analysis of MSW was developed. By following the streams of different treatment processes consisting of various techniques from generation, separation, transfer, transport, treatment, recycling and disposal of the wastes, the element constitution as well as its economic distribution in terms of possibility functions was identified. Every technique step was evaluated economically. The Mont-Carlo method was then conducted for model calibration. Sensitivity analysis was also carried out to identify the most sensitive factors. Model calibration indicated that landfill with power generation of landfill gas was economically the optimal technology at the present stage under the condition of more than 58% of C, H, O, N, S going to landfill. Whether or not to generate electricity was the most sensitive factor. If landfilling cost increases, MSW separation treatment was recommended by screening first followed with incinerating partially and composting partially with residue landfilling. The possibility of incineration model selection as the optimal technology was affected by the city scale. For big cities and metropolitans with large MSW generation, possibility for constructing large-scale incineration facilities increases, whereas, for middle and small cities, the effectiveness of incinerating waste decreases.展开更多
Free energy calculations may provide vital information for studying various chemical and biological processes.Quantum mechanical methods are required to accurately describe interaction energies,but their computations ...Free energy calculations may provide vital information for studying various chemical and biological processes.Quantum mechanical methods are required to accurately describe interaction energies,but their computations are often too demanding for conformational sampling.As a remedy,level correction schemes that allow calculating high level free energies based on conformations from lower level simulations have been developed.Here,we present a variation of a Monte Carlo(MC)resampling approach in relation to the weighted histogram analysis method(WHAM).We show that our scheme can generate free energy surfaces that can practically converge to the exact one with sufficient sampling,and that it treats cases with insufficient sampling in a more stable manner than the conventional WHAM-based level correction scheme.It can also provide a guide for checking the uncertainty of the levelcorrected surface and a well-defined criterion for deciding the extent of smoothing on the free energy surface for its visual improvement.We demonstrate these aspects by obtaining the free energy maps associated with the alanine dipeptide and proton transfer network of the KillerRed protein in explicit water,and exemplify that the MC resampled WHAM scheme can be a practical tool for producing free energy surfaces of realistic systems.展开更多
It is assumed that, during the design period, the waves acting on breakwaters are divided into three types: standing wave, broken wave and breaking wave,and the wave heights fit the Rayleigh distribution while the wa...It is assumed that, during the design period, the waves acting on breakwaters are divided into three types: standing wave, broken wave and breaking wave,and the wave heights fit the Rayleigh distribution while the water depths, wave periods and duration of breaking wave impact force fit normal distribution. Based on the random samples of water depths, wave heights, wave periods and duration of breaking wave impact force, the types of waves acting on breakwaters are distinguished and the time-history model of the wave force is determined. The motions of caisson breakwaters under the wave force are simulated by a dynamic numerical model and the statistic characteristics of the dynamic responses are analyzed with the Monte Carlo method. A probabilistic procedure to analyze the motion of the breakwater is developed therein. The procedure is illustrated by an example.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
A new hybrid method, Monte-Carlo-Heat-Flux (MCHF) method, was presented to analyze the radiative heat transfer of participating medium in a three-dimensional rectangular enclosure using combined the Monte-Carlo meth...A new hybrid method, Monte-Carlo-Heat-Flux (MCHF) method, was presented to analyze the radiative heat transfer of participating medium in a three-dimensional rectangular enclosure using combined the Monte-Carlo method with the heat flux method. Its accuracy and reliability was proved by comparing the computational results with exact results from classical "Zone Method".展开更多
Prediction on the coupled thermal-hydraulic fields of embankment and cutting slopes is essential to the assessment on evolution of melting zone and natural permafrost table, which is usually a key factor for permafros...Prediction on the coupled thermal-hydraulic fields of embankment and cutting slopes is essential to the assessment on evolution of melting zone and natural permafrost table, which is usually a key factor for permafrost embankment design in frozen ground regions. The prediction may be further complicated due to the inherent uncertainties of material properties. Hence, stochastic analyses should be conducted. Firstly, Karhunen-Loeve expansion is applied to attain the random fields for hydraulic and thermal conductions. Next, the mixed-form modified Richards equation for mass transfer (i.e., mass equation) and the heat transport equation for heat transient flow in a variably saturated frozen soil are combined into one equation with temperature unknown. Furthermore, the finite element formulation for the coupled thermal-hydraulic fields is derived. Based on the random fields, the stochastic finite element analyses on stability of embankment are carried out. Numerical results show that stochastic analyses of embankment stability may provide a more rational picture for the distribution of factors of safety (FOS), which is definitely useful for embankment design in frozen ground regions.展开更多
The paper presents a method of numerical solution of the Schrodinger equation, which combines the finite-difference and Monte-Carlo approaches. The resulting method was effective and economical and, to a certain exten...The paper presents a method of numerical solution of the Schrodinger equation, which combines the finite-difference and Monte-Carlo approaches. The resulting method was effective and economical and, to a certain extent, not improved, <em>i</em>.<em>e</em>. optimal. The method itself is formalized as an algorithm for the numerical solution of the Schrodinger equation for a molecule with an arbitrary number of quantum particles. The method is presented and simultaneously illustrated by examples of solving the one-dimensional and multidimensional Schrodinger equation in such problems: linear one-dimensional oscillator, hydrogen atom, ion and hydrogen molecule, water, benzene and metallic hydrogen.展开更多
We propose a multiscale multilevel Monte Carlo(MsMLMC)method to solve multiscale elliptic PDEs with random coefficients in the multi-query setting.Our method consists of offline and online stages.In the offline stage,...We propose a multiscale multilevel Monte Carlo(MsMLMC)method to solve multiscale elliptic PDEs with random coefficients in the multi-query setting.Our method consists of offline and online stages.In the offline stage,we construct a small number of reduced basis functions within each coarse grid block,which can then be used to approximate the multiscale finite element basis functions.In the online stage,we can obtain the multiscale finite element basis very efficiently on a coarse grid by using the pre-computed multiscale basis.The MsMLMC method can be applied to multiscale RPDE starting with a relatively coarse grid,without requiring the coarsest grid to resolve the smallestscale of the solution.We have performed complexity analysis and shown that the MsMLMC offers considerable savings in solving multiscale elliptic PDEs with random coefficients.Moreover,we provide convergence analysis of the proposed method.Numerical results are presented to demonstrate the accuracy and efficiency of the proposed method for several multiscale stochastic problems without scale separation.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
基金Supported by the European Union-NextGenerationEU,through the National Recovery and Resilience Plan of the Republic of Bulgaria,No.BG-RRP-2.004-0008.
文摘In public health,simulation modeling stands as an invaluable asset,enabling the evaluation of new systems without their physical implementation,experimentation with existing systems without operational adjustments,and testing system limits without real-world repercussions.In simulation modeling,the Monte Carlo method emerges as a powerful yet underutilized tool.Although the Monte Carlo method has not yet gained widespread prominence in healthcare,its technological capabilities hold promise for substantial cost reduction and risk mitigation.In this review article,we aimed to explore the transformative potential of the Monte Carlo method in healthcare contexts.We underscore the significance of experiential insights derived from simulated experimentation,especially in resource-constrained scenarios where time,financial constraints,and limited resources necessitate innovative and efficient approaches.As public health faces increasing challenges,incorporating the Monte Carlo method presents an opportunity for enhanced system construction,analysis,and evaluation.
基金Project Supported by Tsinghua Research Foundation (No. Jc2003010).
文摘This paper deals with the procedure and methodology which can be used to select the optimal treatment and disposal technology of municipal solid waste (MSW), and to provide practical and effective technical support to policy-making, on the basis of study on solid waste management status and development trend in China and abroad. Focusing on various treatment and disposal technologies and processes of MSW, this study established a Monte-Carlo mathematical model of cost minimization for MSW handling subjected to environmental constraints. A new method of element stream (such as C, H, O, N, S) analysis in combination with economic stream analysis of MSW was developed. By following the streams of different treatment processes consisting of various techniques from generation, separation, transfer, transport, treatment, recycling and disposal of the wastes, the element constitution as well as its economic distribution in terms of possibility functions was identified. Every technique step was evaluated economically. The Mont-Carlo method was then conducted for model calibration. Sensitivity analysis was also carried out to identify the most sensitive factors. Model calibration indicated that landfill with power generation of landfill gas was economically the optimal technology at the present stage under the condition of more than 58% of C, H, O, N, S going to landfill. Whether or not to generate electricity was the most sensitive factor. If landfilling cost increases, MSW separation treatment was recommended by screening first followed with incinerating partially and composting partially with residue landfilling. The possibility of incineration model selection as the optimal technology was affected by the city scale. For big cities and metropolitans with large MSW generation, possibility for constructing large-scale incineration facilities increases, whereas, for middle and small cities, the effectiveness of incinerating waste decreases.
基金supported by the Mid-career Researcher Program(No.2017R1A2B3004946)through National Research Foundationfunded by Ministry of Science and ICT of Korea.
文摘Free energy calculations may provide vital information for studying various chemical and biological processes.Quantum mechanical methods are required to accurately describe interaction energies,but their computations are often too demanding for conformational sampling.As a remedy,level correction schemes that allow calculating high level free energies based on conformations from lower level simulations have been developed.Here,we present a variation of a Monte Carlo(MC)resampling approach in relation to the weighted histogram analysis method(WHAM).We show that our scheme can generate free energy surfaces that can practically converge to the exact one with sufficient sampling,and that it treats cases with insufficient sampling in a more stable manner than the conventional WHAM-based level correction scheme.It can also provide a guide for checking the uncertainty of the levelcorrected surface and a well-defined criterion for deciding the extent of smoothing on the free energy surface for its visual improvement.We demonstrate these aspects by obtaining the free energy maps associated with the alanine dipeptide and proton transfer network of the KillerRed protein in explicit water,and exemplify that the MC resampled WHAM scheme can be a practical tool for producing free energy surfaces of realistic systems.
基金This studyis supported bythe National Natural Science Foundation of China (Grant No.50579046) the ScienceFoundation of Tianjin Municipal Commission of Science and Technology (Grant No.043114711)
文摘It is assumed that, during the design period, the waves acting on breakwaters are divided into three types: standing wave, broken wave and breaking wave,and the wave heights fit the Rayleigh distribution while the water depths, wave periods and duration of breaking wave impact force fit normal distribution. Based on the random samples of water depths, wave heights, wave periods and duration of breaking wave impact force, the types of waves acting on breakwaters are distinguished and the time-history model of the wave force is determined. The motions of caisson breakwaters under the wave force are simulated by a dynamic numerical model and the statistic characteristics of the dynamic responses are analyzed with the Monte Carlo method. A probabilistic procedure to analyze the motion of the breakwater is developed therein. The procedure is illustrated by an example.
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.
基金financially supported by the National Natural Science Foundation of China (No.50464004)
文摘A new hybrid method, Monte-Carlo-Heat-Flux (MCHF) method, was presented to analyze the radiative heat transfer of participating medium in a three-dimensional rectangular enclosure using combined the Monte-Carlo method with the heat flux method. Its accuracy and reliability was proved by comparing the computational results with exact results from classical "Zone Method".
基金supported by the National 973 Project of China (No. 2012CB026104)the National Natural Science Foundation of China (No. 51378057)
文摘Prediction on the coupled thermal-hydraulic fields of embankment and cutting slopes is essential to the assessment on evolution of melting zone and natural permafrost table, which is usually a key factor for permafrost embankment design in frozen ground regions. The prediction may be further complicated due to the inherent uncertainties of material properties. Hence, stochastic analyses should be conducted. Firstly, Karhunen-Loeve expansion is applied to attain the random fields for hydraulic and thermal conductions. Next, the mixed-form modified Richards equation for mass transfer (i.e., mass equation) and the heat transport equation for heat transient flow in a variably saturated frozen soil are combined into one equation with temperature unknown. Furthermore, the finite element formulation for the coupled thermal-hydraulic fields is derived. Based on the random fields, the stochastic finite element analyses on stability of embankment are carried out. Numerical results show that stochastic analyses of embankment stability may provide a more rational picture for the distribution of factors of safety (FOS), which is definitely useful for embankment design in frozen ground regions.
文摘The paper presents a method of numerical solution of the Schrodinger equation, which combines the finite-difference and Monte-Carlo approaches. The resulting method was effective and economical and, to a certain extent, not improved, <em>i</em>.<em>e</em>. optimal. The method itself is formalized as an algorithm for the numerical solution of the Schrodinger equation for a molecule with an arbitrary number of quantum particles. The method is presented and simultaneously illustrated by examples of solving the one-dimensional and multidimensional Schrodinger equation in such problems: linear one-dimensional oscillator, hydrogen atom, ion and hydrogen molecule, water, benzene and metallic hydrogen.
基金partially supported by the Hong Kong Ph D Fellowship Schemesupported by the Hong Kong RGC General Research Funds(Projects 27300616,17300817,and 17300318)+2 种基金National Natural Science Foundation of China(Project 11601457)Seed Funding Programme for Basic Research(HKU)Basic Research Programme(JCYJ20180307151603959)of the Science,Technology and Innovation Commission of Shenzhen Municipality。
文摘We propose a multiscale multilevel Monte Carlo(MsMLMC)method to solve multiscale elliptic PDEs with random coefficients in the multi-query setting.Our method consists of offline and online stages.In the offline stage,we construct a small number of reduced basis functions within each coarse grid block,which can then be used to approximate the multiscale finite element basis functions.In the online stage,we can obtain the multiscale finite element basis very efficiently on a coarse grid by using the pre-computed multiscale basis.The MsMLMC method can be applied to multiscale RPDE starting with a relatively coarse grid,without requiring the coarsest grid to resolve the smallestscale of the solution.We have performed complexity analysis and shown that the MsMLMC offers considerable savings in solving multiscale elliptic PDEs with random coefficients.Moreover,we provide convergence analysis of the proposed method.Numerical results are presented to demonstrate the accuracy and efficiency of the proposed method for several multiscale stochastic problems without scale separation.
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.