The construction of general basis functions in reweighting ensemble dynamics simulations: Reproduce equilibrium distribution in complex systems from multiple short simulation trajectories

Ensemble simulations, which use multiple short independent trajectories from dispersive initial conformations, rather than a single long trajectory as used in traditional simulations, are expected to sample complex systems such as biomolecules much more efficiently. The re-weighted ensemble dynamics（RED） is designed to combine these short trajectories to reconstruct the global equilibrium distribution. In the RED, a number of conformational functions, named as basis functions,are applied to relate these trajectories to each other, then a detailed-balance-based linear equation is built, whose solution provides the weights of these trajectories in equilibrium distribution. Thus, the sufficient and efficient selection of basis functions is critical to the practical application of RED. Here, we review and present a few possible ways to generally construct basis functions for applying the RED in complex molecular systems. Especially, for systems with less priori knowledge, we could generally use the root mean squared deviation（RMSD） among conformations to split the whole conformational space into a set of cells, then use the RMSD-based-cell functions as basis functions. We demonstrate the application of the RED in typical systems, including a two-dimensional toy model, the lattice Potts model, and a short peptide system. The results indicate that the RED with the constructions of basis functions not only more efficiently sample the complex systems, but also provide a general way to understand the metastable structure of conformational space.

Integration of naval distributed tactical training simulation system based on advanced message queuing protocol

Aiming at the problems of unreliable data transmission,poor steadiness,nonsupport of complex data types,direct couple between data transmission and exchange,a high-level method based on advanced message queuing protocol( AMQP) is proposed to integrate naval distributed tactical training simulation system after serious consideration with current information exchange features of military combat system. Transferring layer in traditional user datagram protocol is implemented by publishing and subscribing scheme of message middleware. By creating message model to standardize message structure,integration architecture is formulated to resolve potential information security risks from inconsistent data type and express data transmission. Meanwhile,a communication model is put forward based on AMQP,which is in the center position of the whole transmission framework and responsible for reliably transferring battlefield data among subsystems. Experiments show that the method can accurately post amounts of data to the subscriber without error and loss,and can get excellent real-time performance of data exchange.

An integrated simulation system for operating solar sail spacecraft

An integrated simulation system for solar sail spacecraft with individually controllable elements(SSICE)is investigated in this paper,including the modelling of power management,thermal control,attitude control,umbra prediction,and orbit prediction subsystems.Considering the self-control and reactivity subsystems,an agent based method is applied to develop the subsystem models.Each subsystem is an individual agent component,which manages itself autonomously and reacts to the requirements from other agents.To reduce computing burden on a specified computer and improve the suitability and flexibility of the integrated simulation system,a distributed framework is employed in the system by deploying agent components on different computers.The data transmission among agents is based on the transmission control protocol/Internet protocol(TCP/IP).A practical example of sun pointing is used to test the operating effect of the integrated system and the working condition of subsystems.The simulation results verify that the integrated system has higher sun pointing accuracy,quicker dynamical response to variations of the lighting,attitude and temperature and fewer computing resources with effective and accurate subsystems.The integrated system proposed in this paper can be applied to solar sail design,operation,and mission planning.

Security Simulation of Continuous-Variable Quantum Key Distribution over Air-to-Water Channel Using Monte Carlo Method

Considering the ocean water＇s optical attenuation and the roughness of the sea surface, we analyze the security of continuous-variable （CV） quantum key distribution （QKD） based Mr-to-water channel. The effects of the absorp- tion and scattering on the transmittance of underwater quantum channel and the maximum secure transmission distance are studied. Considering the roughness of the sea surface, we simulate the performance bounds of CV QKD with different wind speeds using the Monte Carlo method. The results show that even if the secret key rate gradually reduces as the wind speed increases, the maximum transmission distance will not be affected obviously. Compared to the works regarding short-distance underwater optical communication, our research represents a significant step towards establishing secure communication between air platform and submarine vehicle.

New Solution on Distributed Hardware-in-the-Loop Radar System Simulation on HLA

In the large-scale distributed hardware-in-the-loop radar simulation system based on HLA, a new solution of processing after acquisition is proposed, which separates the software subsystem from the hardware jammer subsystem by a response database, so as to settle the problem, that the software subsystem can not meet the real-time need of the hardware, with very little increment of code. And the data completeness and feasibility of this solution are discussed.

Simulation Calculation and Distribution Characteristics of Terrain Reflected Radiation in Fujian Province

[Objective] The aim was to study the distribution characteristics of terrain reflected radiation in Fujian Province.[Method] Based on solar radiation data,digital elevation model (DEM) and surface meteorological observation data in Fujian Province,plus surface albedo obtained by using remote sensing inversion method,the distribution of terrain reflected radiation in Fujian Province from 1988 to 2007 was simulated,and then its temporal and spatial distribution characteristics was studied.[Result] The simulation results of terrain reflected radiation in Fujian Province was credible.Terrain reflected radiation in Fujian Province was the highest in July (about 160 MJ/m2) and lowest in January (about 60 MJ/m2),and it was obviously higher from May to August compared with other months,while the order of terrain reflected radiation in four seasons was summer>spring>autumn>winter,and complex terrain affected the distribution of terrain reflected radiation greatly,especially in autumn and winter when sun elevation angle was small.In addition,terrain reflected radiation in most areas of Fujian Province was below 100 MJ/m2,and it was high in Ningde,Sanming and Nanping City in northern Fujian,while the maximum value (630 MJ/m2) could be found in Dong’an Island in Xiapu County in Ningde City and had good utilization value.[Conclusion] The study could provide theoretical foundation for the development and utilization of solar energy resources under complex terrain in China.

Effects of drive current rise-time and initial load density distribution on Z-pinch characteristics

A two-dimensional, three-temperature radiation magneto-hydrodynamics model is applied to the investigation of evolutional trends in x-ray radiation power, energy, peak plasma temperature and density as functions of drive current rise-time and initial load density distribution by using the typical experimental parameters of tungsten wire-array Z- pinch on the Qiangguang-I generator. The numerical results show that as the drive current rise-time is shortened, x-ray radiation peak power, energy, peak plasma density and peak ion temperature increase approximately linearly, but among them the x-ray radiation peak power increases more quickly. As the initial plasma density distribution in the radial direction becomes gradually flattened, the peak radiation power and the peak ion-temperature almost exponentially increase, while the radiation energy and the peak plasma density change only a little. The main effect of shortening drive current rise-time is to enhance compression of plasma, and the effect of flattening initial load density distribution in the radial direction is to raise the plasma temperature. Both of the approaches elevate the x-ray peak radiation power

DEVELOPMENT AND APPLICATION OF ADAPTIVE MESH TECHNIQUE IN THREE DIMENSIONAL NUMERICAL SIMULATION OF WELDING PROCESS

The adaptive mesh mesh technique is developed and applied in three dimensional numerical simulation of welding process on the base of the commercial software. Special user subroutine is worked out to accom- plish this function.This technique can make the dense mesh moving simultaneously with the heat source while the other area of the structure with much coarser mesh, greatly reducing the number of nodes and elements in the analysis.Temperature field,displacement and stress distributions during welding pro- cess me analyzed by FEM method with adaptive mesh and the analysis is also conducted with normal FEM method. The temperature field,displacement and stress distributions obtained with both methods are shown in contrast. The results show that the temperature fields and the displacement distributions of simulation on adaptive mesh correspond wery well with that of without adaptive mesh. Though the stress distributions have some difference,but the trends of the stress distribution are corresponding.The com- parison of the computing time of the two meshes indicates that the adaptive that the adaptive mesh can greatly reduce the calculation time when used for welding process.

Application of Spatially Distributed Calibrated Hydrological Model in Evapotranspiration Simulation of Three Gorges Reservoir Area of China:A Case Study in the Madu River Basin

Evapotranspiration(ET)is the key to the water cycle process and an important factor for studying near-surface water and heat balance.Accurately estimating ET is significant for hydrology,meteorology,ecology,agriculture,etc..This paper simulates ET in the Madu River Basin of Three Gorges Reservoir Area of China during 2009-2018 based on the Soil and Water Assessment Tool(SWAT)model,which was calibrated and validated using the MODIS(Moderate-resolution Imaging Spectroradiometer)/Terra Net ET 8-Day L4 Global 500 m SIN Grid(MOD16A2)dataset and measured ET.Two calibration strategies(lumped calibration(LC)and spatially distributed calibration(SDC))were used.The basin was divided into 34 sub-basins,and the coefficient of determination(R^(2))and NashSutcliffe efficiency coefficient(NSE)of each sub-basin were greater than 0.6 in both the calibration and validation periods.The R2 and NSE were higher in the validation period than those in the calibration period.Compared with the measured ET,the accuracy of the model on the daily scale is:R^(2)=0.704 and NSE=0.759(SDC results).The model simulation accuracy of LC and SDC for the sub-basin scale was R^(2)=0.857,R^(2)=0.862(monthly)and R^(2)=0.227,R^(2)=0.404(annually),respectively;for the whole basin scale was R^(2)=0.902,R^(2)=0.900(monthly)and R^(2)=0.507 and R^(2)=0.519(annually),respectively.The model performed acceptably,and SDC performed the best,indicating that remote sensing data can be used for SWAT model calibration.During 2009-2018,ET generally increased in the Madu River Basin(SDC results,7.21 mm/yr),with a multiyear average value of 734.37 mm/yr.The annual ET change rate for the sub-basin was relatively low upstream and downstream.The linear correlation analysis between ET and meteorological factors shows that on the monthly scale,precipitation,solar radiation and daily maximum and minimum temperature were significantly correlated with ET;annually,solar radiation and wind speed had a moderate correlation with ET.The correlation between maximum temperature and ET is best on the monthly scale(Pearson correlation coefficient R=0.945),which may means that the increasing ET originating from increasing temperature(global warming).However,the sub-basins near Shennongjia Nature Reserve that are in upstream have a negative ET change rate,which means that ET decreases in these sub-basins,indicating that the’Evaporation Paradox’exists in these sub-basins.This study explored the potential of remote-sensing-based ET data for hydrological model calibration and provides a decision-making reference for water resource management in the Madu River Basin.

Dynamic Multicast Grouping Approach in HLA-Based Distributed Interactive Simulation

In order to improve the efficiency of data distributed management service in distributed interactive simulation based on high level architecture (HLA) and to reduce the network traffic and save the system resource, the approaches of multicast grouping in HLA-based distributed interactive simulation are discussed. Then a new dynamic multicast grouping approach is proposed. This approach is based on the current publication and subscription region in the process of simulation. The results of simulation experiment show that this approach can significantly reduce the message overhead and use fewer multicast groups.

Wind tunnel simulation of wind loading on a solid structure of revolution

The wind tunnel simulations of wind loading on a solid structure of revolution with one smooth and five rough surfaces were conducted using wind tunnel tests. Timemean and fluctuating pressure distributions on the surface were obtained, and the relationships between the roughness Reynolds number and pressure distributions were analyzed and discussed. The results show that increasing the surface roughness can significantly affect the pressure distribution, and the roughness Reynolds numbers play an important role in the change of flow patterns. The three flow patterns of subcritical, critical and supercritical flows can be classified based on the changing patterns of both the mean and the fluctuating pressure distributions. The present study suggests that the wind tunnel results obtained in the supercritical pattern reflect more closely those of full-scale solid structure of revolution at the designed wind speed.

Numerical Simulation for Effect of Inlet Cooling Rate on Fluid Flow and Temperature Distribution in Tundish

The fluid flow in tundish is a non-isothermal process and the temperature variation of stream from teeming ladle dominates the fluid flow and thermal distribution in tundish. A numerical model was established to investigate the effect of inlet cooling rate on fluid flow and temperature distribution in tundish based on a FTSC （Flexible Thin Slab Casting） tundish. The inlet cooling rate varies from 0. 5 to 0. 25 ~C/rain. Under the present calculation conditions, the following conclusions were made. When the stream temperature from teeming ladle drops seriously （for inlet cooling rate of 0.5℃/min）, there is a ＂backward flow＂ at the coming end of casting. The horizontal flow along the free surface turns to flow along the bottom of tundish. The bottom flow shortens the fluid flow route in tundish and deteriorates the removal effect of nonmetallic inclusions from molten steel. Nevertheless, when the inlet cooling rate decreases to 0.25℃/min, the horizontal flow is sustained during the whole casting period. The present research provides theoretical directions for temperature control in teeming ladle and continuous casting tundish during production of advanced steels.

An HLA/RTI Architecture Based on Multi-thread Processing

In order to improve the real-time performance of the real-time HLA(high level architecture) in the application of massive data communication volume,multi-thread processing was adopted,thread pool structure was introduced into the system,different threads to handle corresponding message queues was utilized to respond different message requests.Furthermore,an allocation strategy of semi-complete deprivation of priority was adopted,which reduces thread switching cost and processing burden in the system,provided that the message requests with high priority can be responded in time,thus improves the system's overall performance.The design and experiment results indicate that the method proposed in this paper can improve the real-time performance of HLA in distributed system applications greatly.

Numerical Simulation of the Influence of Drop Size Distribution Shape on Cloud and Precipitation

At present,parameterization methods to describe cloud and precipitation processes are widely used in cloud and mesoscale models,but with different drop size distributions.When precipitation formation mechanism,weather modification technique,and mechanism of hail suppression with seeding are studied by using these models,a question that needs to be addressed is：what is the influence of different drop size distributions and related parameters on cloud and precipitation？In this paper,by using a three-dimensional hail cloud numerical model developed by the Institutes of Atmospheric Physics,Chinese Academy of Sciences, we performed numerical experiments with varied drop size distribution parameters for two hail storms,and analyzed the influence of shape parameters（ar,ai,and ag）of raindrops,ice crystal,and graupel size distributions on rainfall,hail amount,and microphysical processes in clouds.The results show that the variation of ar has no effect on precipitation formation on the whole,but affects directly the production rates for the physical processes related to raindrop.The ag variation has a less obvious effect on rainfall amount,but has a significant effect on hail amount,hailfall rate,and rainfall intensity.It impacts noticeably on the generation rate of the number and mass of ice crystal,graupel,and hail,and also to various degrees on all the microphysical processes in clouds.The ag variation also influences the growing process of the hydrometeors.The effects of the ai variation on part of the generation and growing processes of all the hydrometeors are significant,and even dramatic,such as the collection process of cloud water to rain through melting ice crystal（T CLcir）.However,for clouds located in different geographic regions,the variation of ai has different effects on precipitation,which reflects the complexity of the impact of drop size distribution on cloud and precipitation.At last,some issues about the application of cloud models are also discussed.

SIMULATION OF THE SPATIAL DISTRIBUTION OF CLIMATIC ELEMENTS IN MOUNTAINOUS REGIONS

In this paper,an effective method of simulating the spatial distribution of climatic elements in mountainous areas by using the semi-empirical theory is presented.As an example,the spatial distributions of temperature, vapor pressure,relative humidity,wind speed and precipitation in the Jianyang region and the Shaxi basin of Fujian Province are computed with this method,and the simulated results are in good agreement with the observations.

Grid-based internet worm behavior simulator

The traditional network simulator has function and performance limitation when simulating Internet worms,so we designed the grid-based Internet worm behavior simulator (IWBS Grid).IWBS Grid makes use of the real Internet topology,link and routing information,and simulates the worm behavior at the packet event-driven level;and proposes a high-performance Internet worms behavior simulation platform by right of the grid computing capability,resource and task management,and so on.The experimental results show that IWBS grid surpasses the traditional simulator in simulating capability,and the technology to track the worm propagation in packet level can propose the valuable information for the further study on worms.

Beam distribution reconstruction simulation for electron beam probe

An electron beam probe（EBP） is a detector which makes use of a low-intensity and low-energy electron beam to measure the transverse profile, bunch shape, beam neutralization and beam wake field of an intense beam with small dimensions. While it can be applied to many aspects, we limit our analysis to beam distribution reconstruction.This kind of detector is almost non-interceptive for all of the beam and does not disturb the machine environment.In this paper, we present the theoretical aspects behind this technique for beam distribution measurement and some simulation results of the detector involved. First, a method to obtain a parallel electron beam is introduced and a simulation code is developed. An EBP as a profile monitor for dense beams is then simulated using the fast scan method for various target beam profiles, including KV distribution, waterbag distribution, parabolic distribution,Gaussian distribution and halo distribution. Profile reconstruction from the deflected electron beam trajectory is implemented and compared with the actual profile, and the expected agreement is achieved. Furthermore, as well as fast scan, a slow scan, i.e. step-by-step scan, is considered, which lowers the requirement for hardware, i.e. Radio Frequency deflector. We calculate the three-dimensional electric field of a Gaussian distribution and simulate the electron motion in this field. In addition, a fast scan along the target beam direction and slow scan across the beam are also presented, and can provide a measurement of longitudinal distribution as well as transverse profile simultaneously. As an example, simulation results for the China Accelerator Driven Sub-critical System（CADS） and High Intensity Heavy Ion Accelerator Facility（HIAF） are given. Finally, a potential system design for an EBP is described.

A framework on task configuration and execution for distributed geographical simulation

Geographical simulation is a popular method in geographical and environmental research.Many models developed to address geographic and environmental issues are distributed worldwide.However,due to the lack of portals,these models are still difficult to invoke for geographical simulations in open web environments.This study designs and develops a framework to assemble service-oriented models from volunteers distributed worldwide for geographical simulations on the web.The framework consists of three layers(task layer,data exchange layer,and model execution layer)that establish a network of serviceoriented locally shared models and simulation tasks for user configurations.With the help of such a framework,users can configure simulation tasks and invoke suitable models shared worldwide for geographical simulations.This article provides an application of the distributed simulation of gross primary production(GPP)by the Biome-BioGeochemical Cycles(BGC)model in China.This application shows that the framework can be beneficial for model assembly from volunteers’computers and distributed simulation tasks that are run for geographical and environmental issues,which can be applied to Digital Earth initiatives.

Network simulation task partition method in heterogeneous computing environment

To reduce the running time of network simulation in heterogeneous computing environment,a network simulation task partition method,named LBPHCE,is put forward.In this method,the network simulation task is partitioned in comprehensive consideration of the load balance of both routing computing simulation and packet forwarding simulation.First,through benchmark experiments,the computation ability and routing simulation ability of each simulation machine are measured in the heterogeneous computing environment.Second,based on the computation ability of each simulation machine,the network simulation task is initially partitioned to meet the load balance of packet forwarding simulation in the heterogeneous computing environment,and then according to the routing computation ability,the scale of each partition is fine-tuned to satisfy the balance of the routing computing simulation,meanwhile the load balance of packet forwarding simulation is guaranteed.Experiments based on PDNS indicate that,compared to traditional uniform partition method,the LBPHCE method can reduce the total simulation running time by 26.3%in average,and compared to the liner partition method,it can reduce the running time by 18.3%in average.