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
Through analyzing the life cycle cost of the water conservation and intermediate water application project of conservation-minded buildings,net present value(NPV) was applied as the index to establish the life cycle e...Through analyzing the life cycle cost of the water conservation and intermediate water application project of conservation-minded buildings,net present value(NPV) was applied as the index to establish the life cycle economic decision-making model.Monte Carlo simulation was used in demonstration cases,modeling analysis of water-saving projects in conservation-minded and traditional buildings verified rationality and practicability of this model and simulation method.It was to provide a referential and operable method for the decision-making of conservation-minded construction projects,as well as a scientific approach and theoretic basis for the precise decision-making of government organs,decision-making departments and developers.展开更多
In the present work, the possibility of existence of spin glass phase using classical Heisenberg model with Edwards-Anderson type of interactions has been explored employing Monte Carlo simulation of Binder parameter ...In the present work, the possibility of existence of spin glass phase using classical Heisenberg model with Edwards-Anderson type of interactions has been explored employing Monte Carlo simulation of Binder parameter (g (L, T)). Previous experimental studies show that there is finite temperature phase transition but this study indicates that there is no finite temperature phase transition in 3D Heisenberg vector spin glass model.展开更多
The wheel brake system safety is a complex problem which refers to its technical state, operating environment, human factors, etc., in aircraft landing taxiing process. Usually, professors consider system safety with ...The wheel brake system safety is a complex problem which refers to its technical state, operating environment, human factors, etc., in aircraft landing taxiing process. Usually, professors consider system safety with traditional probability techniques based on the linear chain of events. However, it could not comprehensively analyze system safety problems, especially in operating environment, interaction of subsystems, and human factors. Thus,we consider system safety as a control problem based on the system-theoretic accident model, the processes(STAMP) model and the system theoretic process analysis(STPA) technique to compensate the deficiency of traditional techniques. Meanwhile,system safety simulation is considered as system control simulation, and Monte Carlo methods are used which consider the range of uncertain parameters and operation deviation to quantitatively study system safety influence factors in control simulation. Firstly,we construct the STAMP model and STPA feedback control loop of the wheel brake system based on the system functional requirement. Then four unsafe control actions are identified, and causes of them are analyzed. Finally, we construct the Monte Carlo simulation model to analyze different scenarios under disturbance. The results provide a basis for choosing corresponding process model variables in constructing the context table and show that appropriate brake strategies could prevent hazards in aircraft landing taxiing.展开更多
The nanocrystallization behaviour of Zr70Cu20Ni10 metallic glass during isothermal annealing is studied by employing a Monte Carlo simulation incorporating with a modified Ising model and a Q-state Potts model. Based ...The nanocrystallization behaviour of Zr70Cu20Ni10 metallic glass during isothermal annealing is studied by employing a Monte Carlo simulation incorporating with a modified Ising model and a Q-state Potts model. Based on the simulated microstructure and differential scanning calorimetry curves, we find that the low crystal-amorphous interface energy of Ni plays an important role in the nanocrystallization of primary Zr2Ni. It is found that when T〈T1max (where T1max is the temperature with maximum nucleation rate), the increase of temperature results in a larger growth rate and a much finer mierostrueture for the primary Zr2Ni, which accords with the microstructure evolution in "flash annealing". Finally, the Zr2Ni/Zr2Cu interface energy σG contributes to the pinning effect of the primary nano-sized Zr2Ni grains in the later formed normal Zr2Cu grains.展开更多
The adsorption behavior of symmetric triblock copolymers, Am/2BnAm/2, from a nonselective solvent at solid-liquid interface has been studied by Monte Carlo simulations on a simple lattice model. Either segment A or se...The adsorption behavior of symmetric triblock copolymers, Am/2BnAm/2, from a nonselective solvent at solid-liquid interface has been studied by Monte Carlo simulations on a simple lattice model. Either segment A or segment B is attractive, while the other is non-attractive to the surface. Influences of the adsorption energy, bulk concentration, chain composition and chain length on the microstructure of adsorbed layers are presented. The results show that the total surface coverage and the adsorption amount increases monotonically as the bulk concentration increases. The larger the adsorption energy and the higher the fraction of adsorbing segments, the higher the total surface coverage is exhibited. The product of surface coverage and the proportion of non-attractive segments are nearly independent of the chain length, and the logarithm of the adsorption amount is a linear function of the reciprocal of the reduced temperature. When the adsorption energy is larger, the adsorption amount exhibits a maximum as the fraction of adsorbing segment increases. The adsorption isotherms of copolymers with different length of non-attractive segments can be mapped onto a single curve under given adsorption energy. The adsorption layer thickness decreases as the adsorption energy and the fraction of adsorbing segments increases, but it increases as the length of non-attractive segments increases. The tails mainly govern the adsorption layer thickness.展开更多
We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic,using Monte Carlo simulations.We analyze and discuss the ground state phase diagrams in d...We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic,using Monte Carlo simulations.We analyze and discuss the ground state phase diagrams in different planes to show the effect of every physical parameter.Based on the Monte Carlo simulations,which combine Metropolis algorithm and Ising model,we explore the thermal behavior of the total magnetization and susceptibility.We also present and discuss the influence of physical parameters such as the external magnetic field,the exchange coupling interactions between magnetic atoms,and the exchange magnetic field on the magnetization of the system.Moreover,the critical temperature of the system is about Tc=70 K,in agreement with the experimental value.Finally,the hysteresis loops of La2CuMnO6 are discussed.展开更多
As one of the most serious natural disasters,many typhoons affect southeastern China every year.Taking Shenzhen,a coastal city in southeast China as an example,we employed a Monte-Carlo simulation to generate a large ...As one of the most serious natural disasters,many typhoons affect southeastern China every year.Taking Shenzhen,a coastal city in southeast China as an example,we employed a Monte-Carlo simulation to generate a large number of virtual typhoons for wind hazard analysis.By analyzing 67-year historical typhoons data from 1949 to 2015 using the Best Track Dataset for Tropical Cyclones over the Western North Pacific recorded by the Shanghai Typhoon Institute,China Meteorological Administration(CMASTI),typhoon characteristic parameters were extracted and optimal statistical distributions established for the parameters in relation to Shenzhen.We employed the Monte-Carlo method to sample each distribution to generate the characteristic parameters of virtual typhoons.In addition,the Yah Meng(YM)wind field model was introduced,and the sensitivity of the YM model to several parameters discussed.Using the YM wind field model,extreme wind speeds were extracted from the virtual typhoons.The extreme wind speeds for different return periods were predicted and compared with the current structural code to provide improved wind load information for wind-resistant structural design.展开更多
The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work, we successfully treat the zero-point motion of protons ...The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work, we successfully treat the zero-point motion of protons in the same formalism with as of electrons and avoid the Born–Oppenheimer approximation in density function theory. The study shows that the total energy increases with the decrease in volume, and that the distance between protons decreases as the pressure increases.Considering the motion of protons, the kinetic energy of the electron is higher than that of the fixed model under the same conditions and increases by 5%. The kinetic energy of the proton is found to be small under high pressure, which is only a fraction of the kinetic energy of the electron.展开更多
A random walk Monte Carlo (RWMC) simulation model of catalytic particle was established on the basis of the structures of bismuth molybdate catalysts and mechanisms of catalytic reactions with propylene selective ox...A random walk Monte Carlo (RWMC) simulation model of catalytic particle was established on the basis of the structures of bismuth molybdate catalysts and mechanisms of catalytic reactions with propylene selective oxidation and ammoxidation. The simulation results show that rationality of the RWMC model is proved on the basis of pulse experimental data. One of the most remarkable factors affecting catalytic behavior is the transfer of bulk lattice oxygen, which decides the rate of ammonia-consuming and propylene-consuming. The selectivity of main products reaches the maximum after the reduction of catalysts to a certain degree. It is inferred that catalytic performance improves greatly if the ratio of capacity for dehydrogenation from adsorbed propylene molecule on catalytically active site of molybdenum metal-imido group (Mo=NH) to that on catalytically active site of molybdenum metal-oxo group (Mo=O) becomes much higher.展开更多
In tomographic statics seismic data processing, it 1s crucial to cletermme an optimum base for a near-surface model. In this paper, we consider near-surface model base determination as a global optimum problem. Given ...In tomographic statics seismic data processing, it 1s crucial to cletermme an optimum base for a near-surface model. In this paper, we consider near-surface model base determination as a global optimum problem. Given information from uphole shooting and the first-arrival times from a surface seismic survey, we present a near-surface velocity model construction method based on a Monte-Carlo sampling scheme using a layered equivalent medium assumption. Compared with traditional least-squares first-arrival tomography, this scheme can delineate a clearer, weathering-layer base, resulting in a better implementation of damming correction. Examples using synthetic and field data are used to demonstrate the effectiveness of the proposed scheme.展开更多
As one type of spatially offset Raman spectroscopy(SORS), inverse SORS is particularly suited to in vivo biomedical measurements due to its ring-shaped illumination scheme. To explain inhomogeneous Raman scattering du...As one type of spatially offset Raman spectroscopy(SORS), inverse SORS is particularly suited to in vivo biomedical measurements due to its ring-shaped illumination scheme. To explain inhomogeneous Raman scattering during in vivo inverse SORS measurements, the light–tissue interactions when excitation and regenerated Raman photons propagate in skin tissue were studied using Monte Carlo simulation. An eight-layered skin model was first built based on the latest transmission parameters. Then, an open-source platform, Monte Carlo e Xtreme(MCX), was adapted to study the distribution of 785 nm excitation photons inside the model with an inverse spatially shifted annular beam. The excitation photons were converted to emission photons by an inverse distribution method based on excitation flux with spatial offsets Δs of 1 mm, 2 mm, 3 mm and 5 mm. The intrinsic Raman spectra from separated skin layers were measured by continuous linear scanning to improve the simulation accuracy. The obtained results explain why the spectral detection depth gradually increases with increasing spatial offset, and address how the intrinsic Raman spectrum from deep skin layers is distorted by the reabsorption and scattering of the superficial tissue constituents. Meanwhile, it is demonstrated that the spectral contribution from subcutaneous fat will be improved when the offset increases to 5 mm, and the highest detection efficiency for dermal layer spectral detection could be achieved when Δs = 2 mm. Reasonably good matching between the calculated spectrum and the measured in vivo inverse SORS was achieved, thus demonstrating great utility of our modeling method and an approach to help understand the clinical measurements.展开更多
Different from the usual full counting statistics theoretical work that focuses on the higher order cumulants computation by using cumulant generating function in electrical structures, Monte Carlo simulation of singl...Different from the usual full counting statistics theoretical work that focuses on the higher order cumulants computation by using cumulant generating function in electrical structures, Monte Carlo simulation of single-barrier structure is performed to obtain time series for two types of widely applicable exclusion models, counter-flows model, and tunnel model. With high-order spectrum analysis of Matlab, the validation of Monte Carlo methods is shown through the extracted first four cumulants from the time series, which are in agreement with those from cumulant generating function. After the comparison between the counter-flows model and the tunnel model in a single barrier structure, it is found that the essential difference between them consists in the strictly holding of Pauli principle in the former and in the statistical consideration of Pauli principle in the latter.展开更多
Modeling Light propagation within human head to deduce spatial sensitivity distribution(SSD)is important for Near-infrared spectroscopy(NIRS)/imaging(NIRI)and diffuse correlation tomography.Lots of head models have be...Modeling Light propagation within human head to deduce spatial sensitivity distribution(SSD)is important for Near-infrared spectroscopy(NIRS)/imaging(NIRI)and diffuse correlation tomography.Lots of head models have been used on this issue,including layered head model,artificial simplified head model,MRI slices described head model,and visible human head model.Hereinto,visible Chinese human(VCH)head model is considered to be a most faithful presentation of anatomical structure,and has been highlighted to be employed in modeling light propagation.However,it is not practical for all researchers to use VCH head models and actually increasing number of people are using magnet resonance imaging(MRI)head models.Here,all the above head models were simulated and compared,and we focused on the effect of using di®erent head models on predictions of SSD.Our results were in line with the previous reports on the effect of cerebral cortex folding geometry.Moreover,the in fluence on SSD increases with thefidelity of head models.And surprisingly,the SSD percentages in scalp and gray matter(region of interest)in MRI head model were found to be 80%and 125%higher than in VCH head model.MRI head models induced nonignorable discrepancy in SSD estimation when compared with VCH head model.This study,as we believe,is the first to focus on comparison among full serials of head model on estimating SSD,and provided quantitative evidence for MRI head model users to calibrate their SSD estimation.展开更多
Inverse geochemical modeling of groundwater entails identifying a set of geochemical reactions which can explain observed changes in water chemistry between two samples that are spatially related in some sense, such a...Inverse geochemical modeling of groundwater entails identifying a set of geochemical reactions which can explain observed changes in water chemistry between two samples that are spatially related in some sense, such as two points along a flow pathway. A common inversion approach is to solve a set of simultaneous mass and electron balance equations involving water-rock and oxidation-reduction reactions that are consistent with the changes in concentrations of various aqueous components. However, this mass-balance approach does not test the thermodynamic favorability of the resulting model and provides limited insight into the model uncertainties. In this context, a Monte Carlo-based forward-inverse modeling method is proposed that generates probability distributions for model parameters which best match the observed data using the Metro-polis-Hastings search strategy. The forward model is based on the well-vetted PHREEQC geochemical model. The proposed modeling approach is applied to two test applications, one involving an inverse modeling example supplied with the PHREEQC code that entails groundwater interactions with a granitic rock mineral assemblage, and the other concerning the impact of fuel hydrocarbon bioattenuation on groundwater chemistry. In both examples, the forward-inverse approach is able to approximately reproduce observed water quality changes invoking mass transfer reactions that are all thermodynamically favorable.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Supported by Foundation of Zhejiang Provincial Bureau of Construction:Economical Efficiency Study of Water-saving and Intermediate Water Recycling for Conservation-minded Buildings(0809)~~
文摘Through analyzing the life cycle cost of the water conservation and intermediate water application project of conservation-minded buildings,net present value(NPV) was applied as the index to establish the life cycle economic decision-making model.Monte Carlo simulation was used in demonstration cases,modeling analysis of water-saving projects in conservation-minded and traditional buildings verified rationality and practicability of this model and simulation method.It was to provide a referential and operable method for the decision-making of conservation-minded construction projects,as well as a scientific approach and theoretic basis for the precise decision-making of government organs,decision-making departments and developers.
基金supported by the National Basic Research Program of China (973 Program, No. 2013CB035904)the Innovative Research Groups of the National Natural Science Foundation of China (No. 51321065)the National Natural Science Foundation of China (No. 51439005)
文摘In the present work, the possibility of existence of spin glass phase using classical Heisenberg model with Edwards-Anderson type of interactions has been explored employing Monte Carlo simulation of Binder parameter (g (L, T)). Previous experimental studies show that there is finite temperature phase transition but this study indicates that there is no finite temperature phase transition in 3D Heisenberg vector spin glass model.
文摘The wheel brake system safety is a complex problem which refers to its technical state, operating environment, human factors, etc., in aircraft landing taxiing process. Usually, professors consider system safety with traditional probability techniques based on the linear chain of events. However, it could not comprehensively analyze system safety problems, especially in operating environment, interaction of subsystems, and human factors. Thus,we consider system safety as a control problem based on the system-theoretic accident model, the processes(STAMP) model and the system theoretic process analysis(STPA) technique to compensate the deficiency of traditional techniques. Meanwhile,system safety simulation is considered as system control simulation, and Monte Carlo methods are used which consider the range of uncertain parameters and operation deviation to quantitatively study system safety influence factors in control simulation. Firstly,we construct the STAMP model and STPA feedback control loop of the wheel brake system based on the system functional requirement. Then four unsafe control actions are identified, and causes of them are analyzed. Finally, we construct the Monte Carlo simulation model to analyze different scenarios under disturbance. The results provide a basis for choosing corresponding process model variables in constructing the context table and show that appropriate brake strategies could prevent hazards in aircraft landing taxiing.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 50301008 and 50231040) and the Shandong Young Scientists Foundation.
文摘The nanocrystallization behaviour of Zr70Cu20Ni10 metallic glass during isothermal annealing is studied by employing a Monte Carlo simulation incorporating with a modified Ising model and a Q-state Potts model. Based on the simulated microstructure and differential scanning calorimetry curves, we find that the low crystal-amorphous interface energy of Ni plays an important role in the nanocrystallization of primary Zr2Ni. It is found that when T〈T1max (where T1max is the temperature with maximum nucleation rate), the increase of temperature results in a larger growth rate and a much finer mierostrueture for the primary Zr2Ni, which accords with the microstructure evolution in "flash annealing". Finally, the Zr2Ni/Zr2Cu interface energy σG contributes to the pinning effect of the primary nano-sized Zr2Ni grains in the later formed normal Zr2Cu grains.
基金the National Natural Science Foundation of China (No. 20025618, No. 20236010) Shanghai Municipal Education Commission of China.
文摘The adsorption behavior of symmetric triblock copolymers, Am/2BnAm/2, from a nonselective solvent at solid-liquid interface has been studied by Monte Carlo simulations on a simple lattice model. Either segment A or segment B is attractive, while the other is non-attractive to the surface. Influences of the adsorption energy, bulk concentration, chain composition and chain length on the microstructure of adsorbed layers are presented. The results show that the total surface coverage and the adsorption amount increases monotonically as the bulk concentration increases. The larger the adsorption energy and the higher the fraction of adsorbing segments, the higher the total surface coverage is exhibited. The product of surface coverage and the proportion of non-attractive segments are nearly independent of the chain length, and the logarithm of the adsorption amount is a linear function of the reciprocal of the reduced temperature. When the adsorption energy is larger, the adsorption amount exhibits a maximum as the fraction of adsorbing segment increases. The adsorption isotherms of copolymers with different length of non-attractive segments can be mapped onto a single curve under given adsorption energy. The adsorption layer thickness decreases as the adsorption energy and the fraction of adsorbing segments increases, but it increases as the length of non-attractive segments increases. The tails mainly govern the adsorption layer thickness.
文摘We present a theoretical study of the magnetic properties of the lanthanum copper manganate double perovskite La2CuMnO6 ceramic,using Monte Carlo simulations.We analyze and discuss the ground state phase diagrams in different planes to show the effect of every physical parameter.Based on the Monte Carlo simulations,which combine Metropolis algorithm and Ising model,we explore the thermal behavior of the total magnetization and susceptibility.We also present and discuss the influence of physical parameters such as the external magnetic field,the exchange coupling interactions between magnetic atoms,and the exchange magnetic field on the magnetization of the system.Moreover,the critical temperature of the system is about Tc=70 K,in agreement with the experimental value.Finally,the hysteresis loops of La2CuMnO6 are discussed.
基金Supported by the National Key Research and Development Program of China(Nos.2016YFC1402004,2016YFC1402000,2018YFC1407003)the National Natural Science Foundation of China(Nos.U1706216,U1606402,41421005)
文摘As one of the most serious natural disasters,many typhoons affect southeastern China every year.Taking Shenzhen,a coastal city in southeast China as an example,we employed a Monte-Carlo simulation to generate a large number of virtual typhoons for wind hazard analysis.By analyzing 67-year historical typhoons data from 1949 to 2015 using the Best Track Dataset for Tropical Cyclones over the Western North Pacific recorded by the Shanghai Typhoon Institute,China Meteorological Administration(CMASTI),typhoon characteristic parameters were extracted and optimal statistical distributions established for the parameters in relation to Shenzhen.We employed the Monte-Carlo method to sample each distribution to generate the characteristic parameters of virtual typhoons.In addition,the Yah Meng(YM)wind field model was introduced,and the sensitivity of the YM model to several parameters discussed.Using the YM wind field model,extreme wind speeds were extracted from the virtual typhoons.The extreme wind speeds for different return periods were predicted and compared with the current structural code to provide improved wind load information for wind-resistant structural design.
基金Project supported by the National Key R&D Program of China(Grant No.2018YFA0305900)the National Natural Science Foundation of China(Grant Nos.51632002,51572108,91745203,11634004,11174102,and 1174121)+2 种基金the National Key Research and Development Program of China(Grant No.2016YFB0201204)the Program for Changjiang Scholars and Innovative Research Team in University,China(Grant No.IRT 15R23)the National Fund for Fostering Talents of Basic Science,China(Grant No.J1103202)
文摘The variational and diffusion Monte Carlo approaches are used to study the ground-state properties of a hydrogen molecular ion in a spheroidal box. In this work, we successfully treat the zero-point motion of protons in the same formalism with as of electrons and avoid the Born–Oppenheimer approximation in density function theory. The study shows that the total energy increases with the decrease in volume, and that the distance between protons decreases as the pressure increases.Considering the motion of protons, the kinetic energy of the electron is higher than that of the fixed model under the same conditions and increases by 5%. The kinetic energy of the proton is found to be small under high pressure, which is only a fraction of the kinetic energy of the electron.
基金国家自然科学基金,the Fundamental Research Foundation of SINOPEC
文摘A random walk Monte Carlo (RWMC) simulation model of catalytic particle was established on the basis of the structures of bismuth molybdate catalysts and mechanisms of catalytic reactions with propylene selective oxidation and ammoxidation. The simulation results show that rationality of the RWMC model is proved on the basis of pulse experimental data. One of the most remarkable factors affecting catalytic behavior is the transfer of bulk lattice oxygen, which decides the rate of ammonia-consuming and propylene-consuming. The selectivity of main products reaches the maximum after the reduction of catalysts to a certain degree. It is inferred that catalytic performance improves greatly if the ratio of capacity for dehydrogenation from adsorbed propylene molecule on catalytically active site of molybdenum metal-imido group (Mo=NH) to that on catalytically active site of molybdenum metal-oxo group (Mo=O) becomes much higher.
基金funded by the National Science VIP specialized project of China(Grant No.2011ZX05025-001-03)by the National Science Foundation of China(Grant No.41274117)
文摘In tomographic statics seismic data processing, it 1s crucial to cletermme an optimum base for a near-surface model. In this paper, we consider near-surface model base determination as a global optimum problem. Given information from uphole shooting and the first-arrival times from a surface seismic survey, we present a near-surface velocity model construction method based on a Monte-Carlo sampling scheme using a layered equivalent medium assumption. Compared with traditional least-squares first-arrival tomography, this scheme can delineate a clearer, weathering-layer base, resulting in a better implementation of damming correction. Examples using synthetic and field data are used to demonstrate the effectiveness of the proposed scheme.
基金Project supported by the National Natural Science Foundation of China (Grant No. 61911530695)the Key Research and Development Project of Shaanxi Province, China (Grant No. 2023-YBSF-671)。
文摘As one type of spatially offset Raman spectroscopy(SORS), inverse SORS is particularly suited to in vivo biomedical measurements due to its ring-shaped illumination scheme. To explain inhomogeneous Raman scattering during in vivo inverse SORS measurements, the light–tissue interactions when excitation and regenerated Raman photons propagate in skin tissue were studied using Monte Carlo simulation. An eight-layered skin model was first built based on the latest transmission parameters. Then, an open-source platform, Monte Carlo e Xtreme(MCX), was adapted to study the distribution of 785 nm excitation photons inside the model with an inverse spatially shifted annular beam. The excitation photons were converted to emission photons by an inverse distribution method based on excitation flux with spatial offsets Δs of 1 mm, 2 mm, 3 mm and 5 mm. The intrinsic Raman spectra from separated skin layers were measured by continuous linear scanning to improve the simulation accuracy. The obtained results explain why the spectral detection depth gradually increases with increasing spatial offset, and address how the intrinsic Raman spectrum from deep skin layers is distorted by the reabsorption and scattering of the superficial tissue constituents. Meanwhile, it is demonstrated that the spectral contribution from subcutaneous fat will be improved when the offset increases to 5 mm, and the highest detection efficiency for dermal layer spectral detection could be achieved when Δs = 2 mm. Reasonably good matching between the calculated spectrum and the measured in vivo inverse SORS was achieved, thus demonstrating great utility of our modeling method and an approach to help understand the clinical measurements.
基金Project supported by the National Natural Science Foundation of China(Grant No.60676053)Applied Material in Xi'an Innovation Funds(Grant No.XA-AM-200603)
文摘Different from the usual full counting statistics theoretical work that focuses on the higher order cumulants computation by using cumulant generating function in electrical structures, Monte Carlo simulation of single-barrier structure is performed to obtain time series for two types of widely applicable exclusion models, counter-flows model, and tunnel model. With high-order spectrum analysis of Matlab, the validation of Monte Carlo methods is shown through the extracted first four cumulants from the time series, which are in agreement with those from cumulant generating function. After the comparison between the counter-flows model and the tunnel model in a single barrier structure, it is found that the essential difference between them consists in the strictly holding of Pauli principle in the former and in the statistical consideration of Pauli principle in the latter.
基金The authors thank Qingming Luo's group for providing VCH dataset.This research was supported by the Fundamental Research Funds for the Central Universities (grant No.ZYGX2012J114)the National Natural Science Foundation of China (grant No.61308114)the Specialized Research Fund for the Doctoral Program of Higher Education (grant No.20130185120024).
文摘Modeling Light propagation within human head to deduce spatial sensitivity distribution(SSD)is important for Near-infrared spectroscopy(NIRS)/imaging(NIRI)and diffuse correlation tomography.Lots of head models have been used on this issue,including layered head model,artificial simplified head model,MRI slices described head model,and visible human head model.Hereinto,visible Chinese human(VCH)head model is considered to be a most faithful presentation of anatomical structure,and has been highlighted to be employed in modeling light propagation.However,it is not practical for all researchers to use VCH head models and actually increasing number of people are using magnet resonance imaging(MRI)head models.Here,all the above head models were simulated and compared,and we focused on the effect of using di®erent head models on predictions of SSD.Our results were in line with the previous reports on the effect of cerebral cortex folding geometry.Moreover,the in fluence on SSD increases with thefidelity of head models.And surprisingly,the SSD percentages in scalp and gray matter(region of interest)in MRI head model were found to be 80%and 125%higher than in VCH head model.MRI head models induced nonignorable discrepancy in SSD estimation when compared with VCH head model.This study,as we believe,is the first to focus on comparison among full serials of head model on estimating SSD,and provided quantitative evidence for MRI head model users to calibrate their SSD estimation.
文摘Inverse geochemical modeling of groundwater entails identifying a set of geochemical reactions which can explain observed changes in water chemistry between two samples that are spatially related in some sense, such as two points along a flow pathway. A common inversion approach is to solve a set of simultaneous mass and electron balance equations involving water-rock and oxidation-reduction reactions that are consistent with the changes in concentrations of various aqueous components. However, this mass-balance approach does not test the thermodynamic favorability of the resulting model and provides limited insight into the model uncertainties. In this context, a Monte Carlo-based forward-inverse modeling method is proposed that generates probability distributions for model parameters which best match the observed data using the Metro-polis-Hastings search strategy. The forward model is based on the well-vetted PHREEQC geochemical model. The proposed modeling approach is applied to two test applications, one involving an inverse modeling example supplied with the PHREEQC code that entails groundwater interactions with a granitic rock mineral assemblage, and the other concerning the impact of fuel hydrocarbon bioattenuation on groundwater chemistry. In both examples, the forward-inverse approach is able to approximately reproduce observed water quality changes invoking mass transfer reactions that are all thermodynamically favorable.