Health risk assessment of trace metal(loid)s in agricultural soils based on Monte Carlo simulation coupled with positive matrix factorization model in Chongqing, southwest China

This study aimed to investigate the pollution characteristics, source apportionment, and health risks associated with trace metal(loid)s(TMs) in the major agricultural producing areas in Chongqing, China. We analyzed the source apportionment and assessed the health risk of TMs in agricultural soils by using positive matrix factorization(PMF) model and health risk assessment(HRA) model based on Monte Carlo simulation. Meanwhile, we combined PMF and HRA models to explore the health risks of TMs in agricultural soils by different pollution sources to determine the priority control factors. Results showed that the average contents of cadmium(Cd), arsenic (As), lead(Pb), chromium(Cr), copper(Cu), nickel(Ni), and zinc(Zn) in the soil were found to be 0.26, 5.93, 27.14, 61.32, 23.81, 32.45, and 78.65 mg/kg, respectively. Spatial analysis and source apportionment analysis revealed that urban and industrial sources, agricultural sources, and natural sources accounted for 33.0%, 27.7%, and 39.3% of TM accumulation in the soil, respectively. In the HRA model based on Monte Carlo simulation, noncarcinogenic risks were deemed negligible(hazard index <1), the carcinogenic risks were at acceptable level(10^(-6)<total carcinogenic risk ≤ 10^(-4)), with higher risks observed for children compared to adults. The relationship between TMs, their sources, and health risks indicated that urban and industrial sources were primarily associated with As, contributing to 75.1% of carcinogenic risks and 55.7% of non-carcinogenic risks, making them the primary control factors. Meanwhile, agricultural sources were primarily linked to Cd and Pb, contributing to 13.1% of carcinogenic risks and 21.8% of non-carcinogenic risks, designating them as secondary control factors.

Grand canonical Monte Carlo simulation study of hydrogen storage by Li-decorated pha-graphene

Grand canonical Monte Carlo simulation(GCMCs)is utilized for studying hydrogen storage gravimetric density by pha-graphene at different metal densities,temperatures and pressures.It is demonstrated that the optimum adsorbent location for Li atoms is the center of the seven-membered ring of pha-graphene.The binding energy of Li-decorated phagraphene is larger than the cohesive energy of Li atoms,implying that Li can be distributed on the surface of pha-graphene without forming metal clusters.We fitted the force field parameters of Li and C atoms at different positions and performed GCMCs to study the absorption capacity of H_(2).The capacity of hydrogen storage was studied by the differing density of Li decoration.The maximum hydrogen storage capacity of 4Li-decorated pha-graphene was 15.88 wt%at 77 K and100 bar.The enthalpy values of adsorption at the three densities are in the ideal range of 15 kJ·mol^(-1)-25 kJ·mol^(-1).The GCMC results at different pressures and temperatures show that with the increase in Li decorative density,the hydrogen storage gravimetric ratio of pha-graphene decreases but can reach the 2025 US Department of Energy's standard(5.5 wt%).Therefore,pha-graphene is considered to be a potential hydrogen storage material.

Safety analysis of wheel brake system based on STAMP/STPA and Monte Carlo simulation

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.

Three-Dimensional and Cross-sectional Characteristics of Normal Grain Growth Based on Monte Carlo Simulation

An appropriate Monte Carlo method was developed to simulate the three-dimensional normal grain growth more completely. Comparative investigation on the three-dimensional and the cross-sectional characteristics of normal grain growth was done. It was found that the time exponent of grain growth determined from cross-section exhibits the same rule of increasing slowly with time and approaching the theoretical value n = 0.5 of steadygrain growth as the three-dimensional (3-D) system. From change of the number of grains per unit area with timemeasured in cross-section, the state of 3-D normal grain growth may be predicted. The gtain size distribution incross-section is different from that in 3-D system and can not express the evolution characteristic of the 3-D distribution. Furthermore, there exists statistical connection between the topological parameters in cross-section and thosein three-dimensions.

Monte Carlo simulation of neutron sensitivity of microfission chamber in neutron flux measurement

Microfission chambers loaded with highly enriched fissile materials are widely used for measuring power in reactors. The neutron sensitivity of the microfission chamber is a key parameter that determines the accuracy of the power measurement. To evaluate the performance of the FC4A microfission chamber, in this work, we introduced an accurate and validated model of the microfission chamber, a performed Monte Carlo simulation of the neutron sensitivity of the microfission chamber with GEANT4 code, and conducted an irradiation experiment on the neutron irradiation effect platform #3 of the Xi’an Pulsed Reactor. We compared the simulated sensitivity with the experimental results, which showed that the sensitivity obtained from the simulation was in good agreement with the experimental results. In addition, we studied the impact of the design parameters of the fission chamber on the calculated neutron sensitivity of the microfission chamber.

Statistical Modification Analysis of Helical Planetary Gears based on Response Surface Method and Monte Carlo Simulation

Tooth modification technique is widely used in gear industry to improve the meshing performance of gearings. However, few of the present studies on tooth modification considers the influence of inevitable random errors on gear modification effects. In order to investigate the uncertainties of tooth modification amount variations on system＇s dynamic behaviors of a helical planetary gears, an analytical dynamic model including tooth modification parameters is proposed to carry out a deterministic analysis on the dynamics of a helical planetary gear. The dynamic meshing forces as well as the dynamic transmission errors of the sun-planet 1 gear pair with and without tooth modifications are computed and compared to show the effectiveness of tooth modifications on gear dynamics enhancement. By using response surface method, a fitted regression model for the dynamic transmission error（DTE） fluctuations is established to quantify the relationship between modification amounts and DTE fluctuations. By shifting the inevitable random errors arousing from manufacturing and installing process to tooth modification amount variations, a statistical tooth modification model is developed and a methodology combining Monte Carlo simulation and response surface method is presented for uncertainty analysis of tooth modifications. The uncertainly analysis reveals that the system＇s dynamic behaviors do not obey the normal distribution rule even though the design variables are normally distributed. In addition, a deterministic modification amount will not definitely achieve an optimal result for both static and dynamic transmission error fluctuation reduction simultaneously.

Monte Carlo simulation of stage separation dynamics of a multistage launch vehicle

This paper provides the formulation used for studing the cold and hot separating stages of a multistage launch vehicle. Monte Carlo simulation is employed to account for the off nominal design parameters of the bodies undergoing separation to evaluate the risk of failure for the separation event. All disturbances, effect of dynamic unbalance, residual thrust, separation disturbance caused by the separation mechanism and misalignment in cold and hot separation are analyzed to find out nonoccurrence of collision between the separation bodies. The results indicate that the current design satisfies the separation requirements.

On the energy conservation electrostatic particle-in-cell/Monte Carlo simulation: Benchmark and application to the radio frequency discharges

We benchmark and analyze the error of energy conservation （EC） scheme in particle-in-cell/Monte Carlo （PIC/MC） algorithms by simulating the radio frequency discharge. The plasma heating behaviors and electron distributing functions obtained by one-dimensional （1D） simulation are analyzed. Both explicit and implicit algorithms are checked. The results showed that the EC scheme can eliminated the self-heating with wide grid spacing in both cases with a small reduction of the accuracies. In typical parameters, the EC implicit scheme has higher precision than EC explicit scheme. Some ＂numerical cooling＂ behaviors are observed and analyzed. Some other errors are also analyzed. The analysis showed that the EC implicit scheme can be used to qualitative estimation of some discharge problems with much less computational resource cost without much loss of accuracies.

Monte Carlo simulation of reflection effects of multi-element materials on gamma rays

To study the effects of the gamma reflection of multi-element materials,gamma ray transport models of single-element materials,such as iron and lead,and multielement materials,such as polyethylene and ordinary concrete,were established in this study.Relationships among the albedo factors of the gamma photons and energies and average energy of the reflected gamma rays by material type,material thickness,incident gamma energy,and incidence angle of gamma rays were obtained by Monte Carlo simulation.The results show that the albedo factors of single-element and multi-element materials increase rapidly with an increase in the material thickness.When the thickness of the material increases to a certain value,the albedo factors do not increase further but rather tend to the saturation value.The saturation values for the albedo factors of the gamma photons,and energies and the reflection thickness are related not only to the type of material but also to the incident gamma energy and incidence angle of the gamma rays.At a given incident gamma energy,which is between 0.2 and 2.5 MeV,the smaller the effective atomic number of the multi-element material is,the higher the saturation values of the albedo factors are.The larger the incidence angle of the gamma ray is,the greater the saturation value of the gamma albedo factor,saturation reflection thickness,and average saturation energy of the reflected gamma photons are.

Groundwater pollution and human health risk based on Monte Carlo simulation in a typical mining area in Northern Anhui Province,China

The main objective of this study was to evaluate eight kinds of trace element pollutants in groundwater from a typical coal mine area,and carry out a corresponding health risk assessment for the local populace.To do this,34 shallow groundwater(SG)samples and 18 mid-layer groundwater(MG)samples were collected from the Sulin mining area.To minimize the uncertainties in the health risk assessment,this paper relied on Monte Carlo simulations and sensitivity analysis.The results revealed that Sr and Mn contents exceeded their corresponding WHO(Guidelines for drinking water quality,4th edn.Geneva,2011)guidelines and Chinese groundwater standards(GB/T14848-2017),while the other analyzed trace elements remain below those threshold values.The calculated hazard quotient and hazard index values for adults from ingestion exposure to SG and MG were well below the threshold limit of 1.Probabilistic simulations further show that the total cancer risk value above the limit of 1×10^(-6) is 0%for SG and 29.39%for MG.Sensitivity analysis identified the Sr and Cr contents as the most relevant element variables affecting the probabilistic non-carcinogenic and carcinogenic risk values in the model,respectively.

Magnetic properties of La2CuMnO6 double perovskite ceramic investigated by Monte Carlo simulations

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.

Nanocrystallization behaviour of a ternary amorphous alloy during isothermal annealing： a Monte Carlo simulation

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.

Verification of modified sum-peak method in Monte Carlo simulation of full energy peak and sum-peak efficiencies of a HPGe detector

The modified sum-peak method estimates radioactivity by using only the peak and the sum-peak count rates.To verify the modified sum-peak method,the dependence of the full energy peak efficiency on the source-to-detector distance in a high-purity germanium detector system was studied using a Geant4 Monte Carlo simulation.The effect of the deadlayer in the germanium crystal was estimated by reference to experiments on 241 Am and the relative efficiency of the detector.The peak efficiency dependence on the source-to-detector distance was compared between the simulation and measurements.The modified sum-peak method is discussed with respect to these peak efficiencies.

Monte Carlo Simulation of Electron Velocity Distribution and Gas Phase Process in Electron-Assisted Chemical Vapor Deposition

The gas phase process of diamond film deposition from CH4/H2 gas mixture by electron-assisted chemical vapor deposition is simulated by the Monte-Carlo method. The electron velocity distribution under different E/P (the ratio of the electric field to gas pressure) is obtained, and the velocity profile is asymmetric. The variation of the number density of CH3 and H with different CH4 concentrations and gas pressure is investigated, and the optimal experimental parameters are obtained: the gas pressure is in the range of 2.5 kPa - 15 kPa and the CH4 concentration is in the range of 0.5% - 1%. The energy carried by the fragment CH3 as the function of the experiment parameters is investigated to explain the diamond growth at low temperature. These results will be helpful to the selection of optimum experimental conditions for high quality diamond films deposition in EACVD and the modeling of plasma chemical vapor deposition.

Kinetic Monte Carlo simulations of three-dimensional self-assembled quantum dot islands

By three-dimensional kinetic Monte Carlo simulations, the effects of the temperature, the flux rate, the total coverage and the interruption time on the distribution and the number of self-assembled InAs/GaAs （001） quantum dot （QD） islands are studied, which shows that a higher temperature, a lower flux rate and a longer growth time correspond to a better island distribution. The relations between the number of islands and the temperature and the flux rate are also successfully simulated. It is observed that for the total coverage lower than 0.5 ML, the number of islands decreases with the temperature increasing and other growth parameters fixed and the number of islands increases with the flux rate increasing when the deposition is lower than 0.6 ML and the other parameters are fixed.

Discussion on the Hillert Theory of Normal Grain Growthwith a Modified Monte Carlo Simulation

On the basis of analyzing some limitations in the existing algorithm, a modified Monte Carlo methodwas proposed to simulate two-dimensional normal grain growth. With the modified method. the simulated time exponent of grain growth attained n=0.49±0.01, which is very close to the theoretical value of the steady graingrowth n=0.5, indicating the possibility to investigate the total process of normal grain growth. The relationbetween the Hillert and the von Neumann equations were studied and identified, the Hillert's basic equation hasbeen found to hold during the normal grain growth. The grain size distribution was found to van continuouslyand slowly with the simulated time in the total growth process, the lognormal and the Hillert functions may betwo types of the expression forms during its transition, and the later seemingly corresponds at the distribution ofthe steady stage were n≈0.50.

Optimized Reimbursement Scheme of China's New Cooperative Medical System Using Monte Carlo Simulation

China＇s Rural Cooperative Medical System collapsed alongside communal farming at the end of the Maoist period in 1976, leaving most farmers vulnerable[1]. In rural areas, where 80% of people have been without health insurance of any kind, illness has emerged as a leading cause of poverty[24]. To address the poor state of health care among the rural population, in 2003 the Chinese government launched the New Rural Cooperative Medical System （NCMS）,

Monte Carlo Simulation on LED Graded-refractive-index Multilayer Encapsulation Structure

Light propagation in nanoparticle-loaded encapsulants is simulated based on the method of Monte Carlo,referring to the multilayer graded-refractive-index structure for LED encapsulants.And the influence of scattering coefficient on the transmittance is analyzed.The results show that the transmittance decreases with scattering coefficient.For a given number of layers,the encapsulants will yield maximum transmittance if the refractive index value of each layer is optimized.The nanoparticle-loaded encapsulant consists of multiple layers with refractive-index values that gradually decrease.The transmittance will be higher than that of traditional non-graded encapsulants,and will improve light extraction efficiency of LED.

QUANTITATIVE EVALUATION OF ARRANGEMENT OF MONOMERS IN LINEAR BINARY COPOLYMERS USING A MONTE CARLO SIMULATION METHOD

A Monte Carlo method was used to take thorough account of the influences of different reactivity ratios and initial feed compositions on copolymer microstructure.The model proves the lack of azeotropic behavior in systems in which r_A>1 and r_B<1 or vice versa;it is also able to calculate the drift in the copolymer properties:copolymer composition,and randomness parameter.Moreover,for each reactivity ratio pair given,there is a unique reaction conversion,at which macromolecules produced inherit their ...