A method for designing an X-ray flatness filter for medical electron linac is developed. It is used in the optimization process in the electron beam radiation system. Monte Carlo simulation method is used and two exam...A method for designing an X-ray flatness filter for medical electron linac is developed. It is used in the optimization process in the electron beam radiation system. Monte Carlo simulation method is used and two examples of real radiation system optimization processes for China-made medical electron linac are provided： 15 MV X- ray system of BJ-20 linac, and 12 MeV electron system of BJ-14. Results are verified by using the traditional method.展开更多
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 concret...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.展开更多
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 ...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.展开更多
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 dist...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.展开更多
When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain...When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain important cases. This study proposes an adaptive strategy for automatically adjusting the sample size to fulfil more reasonable simulations. This is realized based on an extension of the Shannon entropy concept and is essentially different from the popular methods in timeindependent Monte Carlo particle transport simulations, such as controlling the sample size according to the relative error of a target tally or by experience. The results of the two models show that this strategy can yield almost similar results while significantly reducing the calculation time. Considering the efficiency, the sample size should not be increased blindly if the efficiency cannot be enhanced further. The strategy proposed herein satisfies this requirement.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
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 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 (t...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.展开更多
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） ...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.展开更多
A Monte Carlo simulation method with an instantaneous density dependent meanfree-path of the ablated particles and the Ar gas is developed for investigating the transport dynamics of the laser-ablated particles in a l...A Monte Carlo simulation method with an instantaneous density dependent meanfree-path of the ablated particles and the Ar gas is developed for investigating the transport dynamics of the laser-ablated particles in a low pressure inert gas.The ablated-particle density and velocity distributions are analyzed.The force distributions acting on the ablated particles are investigated.The influence of the substrate on the ablated-particle velocity distribution and the force distribution acting on the ablated particles are discussed.The Monte Carlo simulation results approximately agree with the experimental data at the pressure of 8 Pa to 17 Pa.This is helpful to investigate the gas phase nucleation and growth mechanism of nanoparticles.展开更多
We have studied the aggregation of particles on a hetero-substrate consisting of two different substrates A and B with finite surface barriers EAB and EBA between the AB and BA boundaries, respectively. With the diffu...We have studied the aggregation of particles on a hetero-substrate consisting of two different substrates A and B with finite surface barriers EAB and EBA between the AB and BA boundaries, respectively. With the diffusion energy limited aggregation （DELA） model, we find that the number of clusters and the mean radius of gyration of the clusters are dependent on the surface barriers EAB and EBA. For the case with a constant of EBA, a series of minima are summarized as EAB ： （E0 - kBAEBA）/kAB with kAB and kBA being two integers, for main minima （kBA = kAB = 1） and two local minima （kBA = kAB and kBA = kAB ＋ 1） between two neighbouring main minima.展开更多
The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc...The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc-blende （ZB） Cdl_xZnxS alloys. All formation energies are positive for WZ and ZB Cdl-xZnxS alloys, which means that the Cdl-xZnxS alloys are unstable and have a tendency to phase separation. For WZ and ZB Cdl_xZnxS alloys, the consolute temperatures are 655 K and 604 K, respectively, and they both have an asymmetric miscibility gap. We obtained the spatial distributions of Cd and Zn atoms in WZ and ZB Cd0.sZn0.sS alloys at different temperatures by MC simulations. We found that both WZ and ZB phases of Cdo.sZn0.sS alloy exhibit phase segregation of Cd and Zn atoms at low temperature, which is consistent with the phase diagrams.展开更多
In this paper, we simulate the exposure factor by a simple model of a flee-air ionization chamber with the Monte Carlo programme Geant4. Special emphasis is placed on the discussion of the exposure factor related to p...In this paper, we simulate the exposure factor by a simple model of a flee-air ionization chamber with the Monte Carlo programme Geant4. Special emphasis is placed on the discussion of the exposure factor related to parameters of the chamber model. The reason for the variation in exposure factor with incident ray energy is also analysed in terms of reaction cross section for different types of reactions. The obtained results indicate that our simulation is accurate in the calculation of the exposure factor and can serve as a reference in designing air ionization chambers.展开更多
Hybrid nematic films have been studied by Monte Carlo simulations using a lattice spin model, in which the pair potential is spatially anisotropic and dependent on elastic constants of liquid crystals. We confirm in t...Hybrid nematic films have been studied by Monte Carlo simulations using a lattice spin model, in which the pair potential is spatially anisotropic and dependent on elastic constants of liquid crystals. We confirm in the thin hybrid nematic film the existence of a biaxially nonbent structure and the structure transition from the biaxial to the bent-director structure, which is similar to the result obtained using the Lebwoh-Lasher model. However, the step-like director＇s profile, characteristic for the biaxial structure, is spatially asymmetric in the film because the pair potential leads to K1 ≠ K3. We estimate the upper cell thickness to be 69 spin layers, in which the biaxial structure can be found.展开更多
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 ad...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.展开更多
We study the steady optical response of a square lattice in which all trapped atoms are driven by a probe and a coupling fields into the ladder configuration of electromagnetically induced transparency(EIT).It turns o...We study the steady optical response of a square lattice in which all trapped atoms are driven by a probe and a coupling fields into the ladder configuration of electromagnetically induced transparency(EIT).It turns out to be a manybody problem in the presence of van der Waals(vd W)interaction among atoms in the upmost Rydberg state,so Monte Carlo(MC)calculation based on density matrix equations have been done after introducing a sufficiently large cut-off radius.It is found that the absorption and dispersion of EIT spectra depends critically on a few key parameters like lattice dimension,unitary vd W shift,probe Rabi frequency,and coupling detuning.Through modulating these parameters,it is viable to change symmetries of the absorption and dispersion spectra and control on demand depth and position of the transparency window.Our MC calculation is expected to be instructive in understanding many-body quantum coherence effects and in manipulating non-equilibrium quantum phenomena by utilizing vd W interactions of Rydberg atoms.展开更多
The steady-state and transient electron transport properties ofβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructures were investigated by Monte Carlo simulation with the classic three-valley model.In particular,the...The steady-state and transient electron transport properties ofβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructures were investigated by Monte Carlo simulation with the classic three-valley model.In particular,the electronic band structures were acquired by first-principles calculations,which could provide precise parameters for calculating the transport properties of the two-dimensional electron gas(2DEG),and the quantization effect was considered in theΓvalley with the five lowest subbands.Wave functions and energy eigenvalues were obtained by iteration of the Schrödinger–Poisson equations to calculate the 2DEG scattering rates with five main scattering mechanisms considered.The simulated low-field electron mobilities agree well with the experimental results,thus confirming the effectiveness of our models.The results show that the room temperature electron mobility of theβ-(Al_(0.188)Ga_(0.812))_(2)O_(3)/Ga_(2)O_(3)heterostructure at 10 k V·cm^(-1)is approximately153.669 cm^(2)·V^(-1)·s^(-1),and polar optical phonon scattering would have a significant impact on the mobility properties at this time.The region of negative differential mobility,overshoot of the transient electron velocity and negative diffusion coefficients are also observed when the electric field increases to the corresponding threshold value or even exceeds it.This work offers significant parameters for theβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructure that may benefit the design of high-performanceβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructure-based devices.展开更多
Monte Carlo simulations are adopted to study the electron transport process in the non-uniform electric field. Some important parameters of electrons in diamond films dynamic process at low temperature via EACVD such ...Monte Carlo simulations are adopted to study the electron transport process in the non-uniform electric field. Some important parameters of electrons in diamond films dynamic process at low temperature via EACVD such as angle distribution, energy distribution, average energy of electrons are given. The results indicate that the electron scattering near the substrate is mainly of a large-angle scattering, exhibiting a double-peaking distribution. All of the conclusions provide some theoretical data referential to the vapor dynamic model of diamond film growth at low temperature via EACVD.展开更多
The electron swarm parameters of SF6/N2 are calculated in the present study using an improved Monte Carlo collision simulation method （MCS）. And some improved sampling techniques are also adopted. The simulation res...The electron swarm parameters of SF6/N2 are calculated in the present study using an improved Monte Carlo collision simulation method （MCS）. And some improved sampling techniques are also adopted. The simulation results show that the improved simulation method can provide more accurate results.展开更多
The plasma behavior of filamentary barrier discharges in helium is simulated using a twodimensional（2D） particle-in-cell/Monte Carlo model. Four different phases have been suggested in terms of the development of th...The plasma behavior of filamentary barrier discharges in helium is simulated using a twodimensional（2D） particle-in-cell/Monte Carlo model. Four different phases have been suggested in terms of the development of the discharge： the Townsend phase; the space-charge dominated phase; the formation of the cathode layer, and the extinguishing phase. The spatialtemporal evolution of the particle densities, velocities of the charged particles, electric fields, and surface charges has been demonstrated. Our simulation provides insights into the underlying mechanism of the discharge and explains many dynamical behaviors of dielectric barrier discharge（DBD） filaments.展开更多
基金Supported by the National Natural Science Foundation of China (60672104,10675013)the Na-tional Basic Research Program of China ("973"Program)(2006CB705705)+1 种基金the 10th Five-Year Plan of the Ministry of Science and Technology of China(2001BA706B-05)the Joint Research Foundation of Beijing Municipal Commissionof Education~~
文摘A method for designing an X-ray flatness filter for medical electron linac is developed. It is used in the optimization process in the electron beam radiation system. Monte Carlo simulation method is used and two examples of real radiation system optimization processes for China-made medical electron linac are provided： 15 MV X- ray system of BJ-20 linac, and 12 MeV electron system of BJ-14. Results are verified by using the traditional method.
基金This work was supported by the State Key Lab of Intense Pulsed Radiation Simulation and Effect Basic Research Foundation(No.SKLIPR1504).
文摘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.
文摘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.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11275007,11105057,11175023,and 11275039)the Program for Liaoning Excellent Talents in University,China(Grant No.LJQ2012098)
文摘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.
基金supported by the CAEP Found (No.CX20200028)Youth Program of National Natural Science Foundation of China (No.11705011).
文摘When multiphysics coupling calculations contain time-dependent Monte Carlo particle transport simulations, these simulations often account for the largest part of the calculation time, which is insufferable in certain important cases. This study proposes an adaptive strategy for automatically adjusting the sample size to fulfil more reasonable simulations. This is realized based on an extension of the Shannon entropy concept and is essentially different from the popular methods in timeindependent Monte Carlo particle transport simulations, such as controlling the sample size according to the relative error of a target tally or by experience. The results of the two models show that this strategy can yield almost similar results while significantly reducing the calculation time. Considering the efficiency, the sample size should not be increased blindly if the efficiency cannot be enhanced further. The strategy proposed herein satisfies this requirement.
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 project supported by the Nature Science Foundation of Hebei Province, China (No 502121)
文摘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.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.60908028,60971068,and 10979065)the Fundamental Research Funds for the Central Universities,China(Grant No.2011RC0402)the Program for New Century Excellent Talents in University,China(Grant No.NCET-10-0261)
文摘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.
基金supported by the Natural Science Foundation of Hebei Province,China(No.A2015201166)the Natural Science Foundation of Hebei University,China(No.2013-252)
文摘A Monte Carlo simulation method with an instantaneous density dependent meanfree-path of the ablated particles and the Ar gas is developed for investigating the transport dynamics of the laser-ablated particles in a low pressure inert gas.The ablated-particle density and velocity distributions are analyzed.The force distributions acting on the ablated particles are investigated.The influence of the substrate on the ablated-particle velocity distribution and the force distribution acting on the ablated particles are discussed.The Monte Carlo simulation results approximately agree with the experimental data at the pressure of 8 Pa to 17 Pa.This is helpful to investigate the gas phase nucleation and growth mechanism of nanoparticles.
基金supported by the Natural Science Foundation of Zhejiang province,China(Grant No Y607142)by the National Natural Science Foundation of China(Grant No 20771092)
文摘We have studied the aggregation of particles on a hetero-substrate consisting of two different substrates A and B with finite surface barriers EAB and EBA between the AB and BA boundaries, respectively. With the diffusion energy limited aggregation （DELA） model, we find that the number of clusters and the mean radius of gyration of the clusters are dependent on the surface barriers EAB and EBA. For the case with a constant of EBA, a series of minima are summarized as EAB ： （E0 - kBAEBA）/kAB with kAB and kBA being two integers, for main minima （kBA = kAB = 1） and two local minima （kBA = kAB and kBA = kAB ＋ 1） between two neighbouring main minima.
基金supported by the National Natural Science Foundation of China(Grant Nos.11164014 and 11364025)Gansu Science and Technology Pillar Program,China(Grant No.1204GKCA057)
文摘The first-principles calculations based on density functional theory combined with cluster expansion techniques and Monte Carlo （MC） simulations were used to study the phase diagrams of both wurtzite （WZ） and zinc-blende （ZB） Cdl_xZnxS alloys. All formation energies are positive for WZ and ZB Cdl-xZnxS alloys, which means that the Cdl-xZnxS alloys are unstable and have a tendency to phase separation. For WZ and ZB Cdl_xZnxS alloys, the consolute temperatures are 655 K and 604 K, respectively, and they both have an asymmetric miscibility gap. We obtained the spatial distributions of Cd and Zn atoms in WZ and ZB Cd0.sZn0.sS alloys at different temperatures by MC simulations. We found that both WZ and ZB phases of Cdo.sZn0.sS alloy exhibit phase segregation of Cd and Zn atoms at low temperature, which is consistent with the phase diagrams.
基金Project supported by the National Natural Science Foundation of China (Grant No 10647109)the Foundation for Key Programof Ministry of Education,China (Grant No 208067)
文摘In this paper, we simulate the exposure factor by a simple model of a flee-air ionization chamber with the Monte Carlo programme Geant4. Special emphasis is placed on the discussion of the exposure factor related to parameters of the chamber model. The reason for the variation in exposure factor with incident ray energy is also analysed in terms of reaction cross section for different types of reactions. The obtained results indicate that our simulation is accurate in the calculation of the exposure factor and can serve as a reference in designing air ionization chambers.
基金Project supported by the National Natural Science Foundation of China (Grants Nos 60736042 and 60878047)the Key Subject Construction Project of Hebei Province University
文摘Hybrid nematic films have been studied by Monte Carlo simulations using a lattice spin model, in which the pair potential is spatially anisotropic and dependent on elastic constants of liquid crystals. We confirm in the thin hybrid nematic film the existence of a biaxially nonbent structure and the structure transition from the biaxial to the bent-director structure, which is similar to the result obtained using the Lebwoh-Lasher model. However, the step-like director＇s profile, characteristic for the biaxial structure, is spatially asymmetric in the film because the pair potential leads to K1 ≠ K3. We estimate the upper cell thickness to be 69 spin layers, in which the biaxial structure can be found.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11904175,11804169,and 11804165)the Graduate Innovation Project of Jiangsu Province,China(Grant No.KYCX210700)。
文摘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.
基金the National Natural Science Foundation of China(Grant No.12074061)。
文摘We study the steady optical response of a square lattice in which all trapped atoms are driven by a probe and a coupling fields into the ladder configuration of electromagnetically induced transparency(EIT).It turns out to be a manybody problem in the presence of van der Waals(vd W)interaction among atoms in the upmost Rydberg state,so Monte Carlo(MC)calculation based on density matrix equations have been done after introducing a sufficiently large cut-off radius.It is found that the absorption and dispersion of EIT spectra depends critically on a few key parameters like lattice dimension,unitary vd W shift,probe Rabi frequency,and coupling detuning.Through modulating these parameters,it is viable to change symmetries of the absorption and dispersion spectra and control on demand depth and position of the transparency window.Our MC calculation is expected to be instructive in understanding many-body quantum coherence effects and in manipulating non-equilibrium quantum phenomena by utilizing vd W interactions of Rydberg atoms.
基金Project supported by the National Natural Science Foundation of China(Grant No.61474090)the Key Research and Development Program of Shaanxi Province of China(Grant No.2017ZDXM-GY-052)+1 种基金the Fundamental Research Funds for the Central Universities(Grant No.20109205456)the Innovation Fund of Xidian University。
文摘The steady-state and transient electron transport properties ofβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructures were investigated by Monte Carlo simulation with the classic three-valley model.In particular,the electronic band structures were acquired by first-principles calculations,which could provide precise parameters for calculating the transport properties of the two-dimensional electron gas(2DEG),and the quantization effect was considered in theΓvalley with the five lowest subbands.Wave functions and energy eigenvalues were obtained by iteration of the Schrödinger–Poisson equations to calculate the 2DEG scattering rates with five main scattering mechanisms considered.The simulated low-field electron mobilities agree well with the experimental results,thus confirming the effectiveness of our models.The results show that the room temperature electron mobility of theβ-(Al_(0.188)Ga_(0.812))_(2)O_(3)/Ga_(2)O_(3)heterostructure at 10 k V·cm^(-1)is approximately153.669 cm^(2)·V^(-1)·s^(-1),and polar optical phonon scattering would have a significant impact on the mobility properties at this time.The region of negative differential mobility,overshoot of the transient electron velocity and negative diffusion coefficients are also observed when the electric field increases to the corresponding threshold value or even exceeds it.This work offers significant parameters for theβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructure that may benefit the design of high-performanceβ-(Al_(x)Ga_(1-x))_(2)O_(3)/Ga_(2)O_(3)heterostructure-based devices.
基金The project supported by the Doctor Foundation of Hebei Education Committee and Hebei Natural Science Foundation of China (No. 599091)
文摘Monte Carlo simulations are adopted to study the electron transport process in the non-uniform electric field. Some important parameters of electrons in diamond films dynamic process at low temperature via EACVD such as angle distribution, energy distribution, average energy of electrons are given. The results indicate that the electron scattering near the substrate is mainly of a large-angle scattering, exhibiting a double-peaking distribution. All of the conclusions provide some theoretical data referential to the vapor dynamic model of diamond film growth at low temperature via EACVD.
基金National Natural Science Foundation of China(Nos.50607004,90715029)the Science Foundation of Hunan University,China
文摘The electron swarm parameters of SF6/N2 are calculated in the present study using an improved Monte Carlo collision simulation method （MCS）. And some improved sampling techniques are also adopted. The simulation results show that the improved simulation method can provide more accurate results.
基金sponsored by National Natural Science Foundation of China under Grant Nos.11505044,11405042 and 11421064the Natural Science Foundation of Hebei Province under Grant No.A2016201066+1 种基金the Research Foundation of Education Bureau of Hebei province under Grant No.BJ2016006the Midwest Universities Comprehensive Strength Promotion Project
文摘The plasma behavior of filamentary barrier discharges in helium is simulated using a twodimensional（2D） particle-in-cell/Monte Carlo model. Four different phases have been suggested in terms of the development of the discharge： the Townsend phase; the space-charge dominated phase; the formation of the cathode layer, and the extinguishing phase. The spatialtemporal evolution of the particle densities, velocities of the charged particles, electric fields, and surface charges has been demonstrated. Our simulation provides insights into the underlying mechanism of the discharge and explains many dynamical behaviors of dielectric barrier discharge（DBD） filaments.
