Numerical Simulation for Remediation Planning for 1,4-Dioxane-Contaminated Groundwater at Kuwana Illegal Dumping Site in Japan Based on the Concept of Verified Follow Up

At Kuwana illegal dumping site in Japan, where hazardous waste was illegally dumped, groundwater was severely contaminated by Volatile Organic Compounds (VOCs). Groundwater was already remedied by conducting Pump-and-Treat (P&T) after containment of all the waste by vertical slurry walls from 2002 to 2007. However, 1,4-dioxane was detected in both waste and groundwater outside of slurry walls after it was newly added into Japan environmental standards in late 2009, which suggested that the walls did not contain 1,4-dioxane completely. Our previous study developed a model to predict the 1,4-dioxane distribution in groundwater after the previous remediation at the site. In this study, numerical simulation was applied for remediation planning at the site based on the concept of Verified Follow Up (VF-UP) that had been proposed as a new approach to complete remediation effectively with consideration of future risks. The amount of waste to be removed and pumping plans were discussed by numerical simulation to achieve the remedial objective in which 1,4-dioxane in groundwater outside of walls is remedied within 10 years and 1,4-dioxane spreading throughout the walls is prevented in the case where a portion of waste is remained. Firstly, the amount of waste to be removed considering pumping plans for P&T was determined by scenario analysis. As a result, at least two-third of waste should be removed by combining with P&T. However, if the waste is remained, future risks of 1,4-dioxane spreading through the slurry walls may occur. Our simulation suggested that groundwater within the remaining waste must be pumped up at least 20 m3/d for containment of 1,4-dioxane within the remaining waste. In conclusion, our numerical simulation determined the amount of waste to be removed and the pumping plans for P&T to achieve the remedial objective effectively considering future risks based on the concept of VF-UP.

Numerical simulations of full-wave fi elds and analysis of channel wave characteristics in 3-D coal mine roadway models

Currently, numerical simulations of seismic channel waves for the advance detection of geological structures in coal mine roadways focus mainly on modeling two- dimensional wave fields and therefore cannot accurately simulate three-dimensional （3-D） full-wave fields or seismic records in a full-space observation system. In this study, we use the first-order velocity-stress staggered-grid finite difference algorithm to simulate 3-D full-wave fields with P-wave sources in front of coal mine roadways. We determine the three components of velocity Vx, Vy, and Vz for the same node in 3-D staggered-grid finite difference models by calculating the average value of Vy, and Vz of the nodes around the same node. We ascertain the wave patterns and their propagation characteristics in both symmetrical and asymmetric coal mine roadway models. Our simulation results indicate that the Rayleigh channel wave is stronger than the Love channel wave in front of the roadway face. The reflected Rayleigh waves from the roadway face are concentrated in the coal seam, release less energy to the roof and floor, and propagate for a longer distance. There are surface waves and refraction head waves around the roadway. In the seismic records, the Rayleigh wave energy is stronger than that of the Love channel wave along coal walls of the roadway, and the interference of the head waves and surface waves with the Rayleigh channel wave is weaker than with the Love channel wave. It is thus difficult to identify the Love channel wave in the seismic records. Increasing the depth of the receivers in the coal walls can effectively weaken the interference of surface waves with the Rayleigh channel wave, but cannot weaken the interference of surface waves with the Love channel wave. Our research results also suggest that the Love channel wave, which is often used to detect geological structures in coal mine stopes, is not suitable for detecting geological structures in front of coal mine roadways. Instead, the Rayleigh channel wave can be used for the advance detection of geological structures in coal mine roadways.

Study on numerical simulation of TA1-304 stainless steel explosive welding

In order to guide the explosive welding experiment of titanium-stainless steel,Three-dimensional numerical simulation of explosive welding,which select TA1 as flyer plate and 304 stainless steel as base plate,is carried out by using the LS-DYNA software and SPH-FEM coupling algorithm in the present study.The explosive welding window is calculated and established.It is found that the numerical simulation results are in good agreement with the experimental results.The displacement,velocity and pressure-time curves of characteristic elements show that the quality of explosive welding composites is superior.It is proved that SPH-FEM coupling algorithm is effective for explosive welding of TA1/304 stainless steel and can effectively guide the selection of explosive welding parameters.

Dynamic Interference Photoelectron Spectra in Double Ionization:Numerical Simulation of 1D Helium

We report our numerical simulation on the dynamic interference photoelectron spectra for a one-dimensional （1D） He model exposed to intense ultrashort extreme ultraviolet （XUV） laser pulses. The results demonstrate an unambiguous interference feature in the photoelectron spectra, and the interference is unveiled to originate from the dynamic Stark effect. The interference photoelectron spectra are prompted for intense sub-femtosecond XUV laser pulses in double ionization. The stationary phase picture is corroborated qualitatively in the two-electron system. The ability of probing the dynamic Stark effect by the photoelectron spectra in a pragmatic experiment of single-photon double ionization of He may shed light on further investigation on multi-electron atoms and molecules.

Numerical simulation of chorus-driving acceleration of relativistic electrons at extremely low L-shell during geomagnetic storms

During 2018 major geomagnetic storm,relativistic electron enhancements in extremely low L-shell regions(reaching L∼3)have been reported based on observations of ZH-1 and Van Allen probes satellites,and the storm is highly likely to be accelerated by strong whistler-mode waves occurring near very low L-shell regions where the plasmapause was suppressed.It is very interesting to observe the intense chorus-accelerated electrons locating in such low L-shells and filling into the slot region.In this paper,we further perform numerical simulation by solving the two-dimensional Fokker-Planck equation based on the bounce-averaged diffusion rates.Numerical results demonstrate the evolution processes of the chorus-driven electron flux and confirm the flux enhancement in low pitch angle ranges(20◦-50◦)after the wave-particle interaction for tens of hours.The simulation result is consistent with the observation of potential butterfly pitch angle distributions of relativistic electrons from both ZH-1 and Van Allen probes.

Optimization of Mo/Cu(In,Ga)Se2/CdS/ZnO Hetero-Junction Solar Cell Performance by Numerical Simulation with SCAPS-1D

The paper presents a one-dimensional simulation study of chalcopyrite Cu(In,Ga)Se2(CIGS)solar cells,where the effects of the variation of CIGS,CdS,and ZnO layers are presented.Additionlly the influence of the variation of doping and the defects density of shallow uniform donors and acceptors types are also presented.The analyse of the simulation results shows that recombination inside the space charge region(SCR)decrease more our CIGS solar cell model performance.We also found that the electrical parameters increase with increasing CIGS absorber doping density exception of JSC values that reach their maximum at 1016cm-3 and decrease due to recombination of charge carriers in the p-n junction particularly the recombination inside the SCR.We also stressed the fact that the effects of shallow uniforme donor density is very low on the performance of our CIGS solar cell model is important because it will allow to control the width of space charge region from shallow uniform acceptors defect density that has a strong influence on the different electrical parameters.Yet,good optimization of performance of the CIGS-based solar cell necessarily passes though a good control of the space charge region width and will constitute a boosting perspective for the preparation of our next paper.We contact that the results obtained of the numerical simulation with SCAPS-1D show a good agreement comparatively of the literature results.The simulation of our CIGS solar cell presents best performances if the values of the absorber layer thickness is in the range of 0.02 to 0.03μm,the buffer layer thickness is in the range of 0.02 to 0.06μm and the defects density of shallow uniform acceptors types is in the range of 1015 to 1017cm-3.

Three-dimensional numerical simulation of geothermal fi eld in space-wavenumber domain

Large-scale,fine,and efficient numerical simulation of a geothermal field plays an important role in geothermal energy development.Confronted with the problem of large computation and high storage requirements for complex underground models in a three-dimensional(3-D)numerical simulation of a geothermal fi eld,a mixed space-wavenumber domain 3-D numerical simulation algorithm is proposed in this paper.According to the superposition principle of temperature field,the geothermal field is decomposed into background and abnormal temperature fi elds for calculation.The uniform layered model is used to solve the background field.When the abnormal field is solved,the horizontal two-dimensional(2-D)Fourier transform is used to transform the 3-D diff erential equation satisfi ed by an abnormal field into a series of one-dimensional ordinary differential equations with diff erent wavenumbers,which greatly reduces the calculation and storage.The unit division of an ordinary diff erential equation is fl exible,and the calculation amount is small.The algorithm fully takes advantage of the effi ciency of the Fourier transform and the quickness of the catch-up method to solve linear equations with a fixed bandwidth,which effectively improves the computational efficiency.Compared with the COMSOL Multiphysics professional simulation finite element software,the time consumption and memory requirements of the algorithm proposed in this paper are reduced by multiple orders of magnitude in terms of ensuring accuracy and the same mesh division.The more the number of calculated nodes is,the more obvious is the advantage.We design models to study the thermal conductivity,heat fl ux boundary,regional tectonic morphology,and topographic relief of the geothermal fi eld distribution.A 3-D geophysical model is developed based on topographic elevation data,geothermal geology,and geophysical exploration data in the Qiabuqia area of Gonghe Basin,Qinghai Province,China.Numerical simulation of the geothermal fi eld in this area is realized,which shows that the algorithm is suitable for precise and effi cient simulation of an arbitrary complex terrain and geological conditions.

3-D Finite-Element Numerical Simulation of Centrifugal Induction Electrosalg Casting Solidification Process

A 3-D finite-element numerical simulation model of temperature field for CIESC casting solidification process was developed with the aid of ANSYS software and a series of corresponding experiments were made. The results showed that the good agreement was obtained between the numerical simulation and the experiments. Based on the numerical simulation results, the characteristics of temperature distribution in the castings during CIESC solidification process were analyzed and summarized. According to the G/R-1/2 method and numerical simulation results, there is no any shrinkage defect in the CIESC casting and structure or casting is fine and compact.

Temperature Distributions in Single Cell of Polymer Electrolyte Fuel Cell Simulated by an 1D Multi-plate Heat-Transfer Model and a 3D Numerical Simulation Model

The purpose of this study is to verify an 1D multi-plate heat-transfer model estimating the temperature distribution on the interface between polymer electrolyte membrane and catalyst layer at cathode in single cell of polymer electrolyte fuel cell, which is named as reaction surface in this study, with a 3D numerical simulation model solving many governing equations on the coupling phenomena in the cell. The results from both models/simulations agreed well. The effects of initial operation temperature, flow rate, and relative humidity of supply gas on temperature distribution on the reaction surface were also investigated. It was found in both 1D and 3D simulations that, the temperature rise （i.e., Treact-Tini） of the reaction surface from initial operation temperature at 70℃ was higher than that at 80℃ irrespective of flow rate of supply gas. The effect of relative humidity of supply gas on Treact- Tini near the inlet of the cell was small. Compared to the previous studies conducted under the similar operation conditions, the Treact - Tini calculated by 1D multi-plate heat-transfer model in this study as well as numerical simulation using 3D model was reasonable.

DIRECT NUMERICAL SIMULATION OF VIBRATIONINDUCED T-S WAVE ON BOUNDARY LAYER WALL

The spatial growth of the disturbance in the boundary layer is directly numerically simulated, and the receptivity of the Blasius basic flow to the local two-dimensional （2-D） sustainable micro-vibration is investigated. Results show that the disturbance velocity presents the sine vibration features with the change of time, and the vibration period is identical to the vibration of the local wall. The disturbance velocity presents the fluctuation feature downstream, and the streamwise wave length approximates to the results from the Orr-Sommerfeld equation （OSE）. The growth rate from direct numerical simulation（DNS） is a little greater than that from OSE, and their trends are almost consistent. Under the condition of Re= 2 800, the disturbance amplitude gradually grows in the given computational region with the period T=30. However, it firstly increases and then decreases with the period T= 20. The disturbance harmonic of the former is obviously larger than that of the latter. The maximum streamwise and vertical disturbance velocities from DNS do not fully coincide with those from OSE at the vicinity of the local vibration wall, but coincide well with the former when they travel downstream. The 2-D disturbance induced by the local micro-vibration represents the form of Tollmien-Schlichting （T-S） wave on the boundary layer.

Numerical simulation and analysis of solid-liquid two-phase threedimensional unsteady flow in centrifugal slurry pump

Based on RNG k-ε turbulence model and sliding grid technique, solid-liquid two-phase three-dimensional(3-D) unsteady turbulence of full passage in slurry pump was simulated by means of Fluent software. The effects of unsteady flow characteristics on solid-liquid two-phase flow and pump performance were researched under design condition. The results show that clocking effect has a significant influence on the flow in pump, and the fluctuation of flow velocity and pressure is obvious, particularly near the volute tongue, at the position of small sections of volute and within diffuser. Clocking effect has a more influence on liquid-phase than on solid-phase, and the wake-jet structure of relative velocity of solid-phase is less obvious than liquid-phase near the volute tongue and the impeller passage outlet. The fluctuation of relative velocity of solid-phase flow is 7.6% smaller than liquid-phase flow at the impeller outlet on circular path. Head and radial forces of the impeller are 8.1% and 85.7% of fluctuation, respectively. The results provide a theoretical basis for further research for turbulence, improving efficient, reducing the hydraulic losses and wear. Finally, field tests were carried out to verify the operation and wear of slurry pump.

Numerical simulations of flow and sediment transport within the Ning-Meng reach of the Yellow River,northern China

Effective management of a river reach requires a sound understanding of flow and sediment transport generated by varying natural and artificial runoff conditions. Flow and sediment transport within the Ning-Meng reach of the Yellow River（NMRYR）, northern China are controlled by a complex set of factors/processes, mainly including four sets of factors：（1） aeolian sediments from deserts bordering the main stream;（2） inflow of water and sediment from numerous tributaries;（3） impoundment of water by reservoir/hydro-junction; and（4） complex diversion and return of irrigation water. In this study, the 1-D flow ＆ sediment transport model developed by the Yellow River Institute of Hydraulic Research was used to simulate the flow and sediment transport within the NMRYR from 2001 to 2012. All four sets of factors that primarily control the flow and sediment transport mentioned above were considered in this model. Compared to the measured data collected from the hydrological stations along the NMRYR, the simulated flow and sediment transport values were generally acceptable, with relative mean deviation between measured and simulated values of 〈15%. However, simulated sediment concentration and siltation values within two sub-reaches（i.e., Qingtongxia Reservoir to Bayan Gol Hydrological Station and Bayan Gol Hydrological Station to Toudaoguai Hydrological Station） for some periods exhibited relatively large errors（the relative mean deviations between measured and simulated values of 18% and 25%, respectively）. These errors are presumably related to the inability to accurately determine the quantity of aeolian sediment influx to the river reach and the inflow of water from the ten ephemeral tributaries. This study may provide some valuable insights into the numerical simulations of flow and sediment transport in large watersheds and also provide a useful model for the effective management of the NMRYR.

Simulation of subcritical flow pattern in 180° uniform and convergent open-channel bends using SSIIM 3-D model

In meandering rivers, the flow pattern is highly complex, with specific characteristics at bends that are not observed along straight paths. A numerical model can be effectively used to predict such flow fields. Since river bends are not uniform-some are divergent and others convergent-in this study, after the SSIIM 3-D model was calibrated using the result of measurements along a uniform 180° bend with a width of 0.6 m, a similar but convergent 180v bend, 0.6 m to 0.45 m wide, was simulated using the SSI1M 3-D numerical model. Flow characteristics of the convergent 180° bend, including lengthwise and vertical velocity profiles, primary and secondary flows, lengthwise and widtbwise slopes of the water surface, and the helical flow strength, were compared with those of the uniform 180° bend. The verification results of the model show that the numerical model can effectively simulate the flow field in the uniform bend. In addition, this research indicates that, in a convergent channel, the maximum velocity path at a plane near the water surface crosses the channel＇s centerline at about a 30° to 40° cross-section, while in the uniform bend, this occurs at about the 50° cross-section. The varying range of the water surface elevation is wider in the convergent channel than in the uniform one, and the strength of the helical flow is generally greater in the uniform channel than in the convergent one. Also, unlike the uniform bend, the convergent bend exhibits no rotational cell against the main direction of secondary flow rotation at the 135° cross-section.

Indoor experiment and numerical simulation study of ammonia-nitrogen migration rules in soil column

The riverbank soil is a natural purifying agent for the polluted river water(Riverbank filtration, RBF). This is of great importance to groundwater safety along the riverbank. This paper examines the migration and transformation rules of ammonia-nitrogen in three typical types of sand soil using the indoor leaching experiment of soil column, and then makes comparison with the indoor experiment results in combination with the numerical simulation method. The experiment process shows that the change in ammonia-nitrogen concentration goes through three stages including "removal-water saturation-saturation". As the contents of clay particles in soil sample increase, the removal of ammonia-nitrogen from soil sample will take more time and gain higher ratio. During the removal period, the removal ratio of Column 1, Column 2 and Column 3 averages 68.8%(1-12 d), 74.6%(1-22 d) and 91.1%(1-26 d). The ammonia-nitrogen removal ratio shows no noticeable change as the depth of soil columns varies. But it is found that the ammonia-nitrogen removal ratio is the least of the whole experiment when the soil columns are at the depth of 15 cm. It can be preliminary inferred that the natural purifying performance of soil along the river for ammonia-nitrogen in river water mainly depends on the proportion of fine particles in soil. HYDRUS-1D model is used to simulate this experiment process, analyze the change of the bottom observation holes by time and depth in three columns(the tenth day), and make comparison with the experiment result. The coefficients of determination for fitting curves of Column 1, Column 2 and Column 3 are 0.953, 0.909, 0.882 and 0.955, 0.740, 0.980 separately. Besides, this paper examines the contribution of absorption, mineralization and nitrification in the simulation process. In the early removal stage, mineralization plays a dominant role and the maximum contribution rate of mineralization is 99%. As time goes by, absorption starts to function and gradually assumes a dominant position. In the middle and late removal stage, nitrification in Column 1 and Column 2 makes more contribution than mineralization. So the experiment result of the ammonia-nitrogen concentration is 0.6% and 2.4% lower than that in effluent and the maximum contribution ratio of nitrification is -4.53% and -5.10% respectively when only the function of absorption is considered. The mineralization in Column 1 and Column 2 in the middle and late removal stage still plays a more important role than nitrification. So the experiment result is 1.4% higher than that in effluent and the maximum contribution ratio of nitrification is -2.51% when only the function of absorption is considered. Therefore, absorption, mineralization and nitrification make different contributions during different part of the stage. This means that the natural purifying performance of soil along the river for ammonia-nitrogen in river water not only depends on the proportion of fine particles in soil, but depends on the mineralization and nitrification environment. This can offer some insights into the protection and recovery of groundwater along the riverbank.

Numerical Simulation of Cu（In,Ga）Se2 Solar Cells Performances

This paper presents a numerical characterization of copper-indium-gallium-diselenide thin film solar cells using one dimensional simulation program （SCAPS-1D）. We have performedan optimization of the performances of the standard Mo/Cu（In, Ga）Se2/CdS/ZnO solar cells using current-voltage and quantum efficiency methods. With a CuIn..7Ga0.3Se2 absorber, we have investigated the buffer layer thickness, temperature, series and shunt resistances effects on the open-circuit voltage, short-circuit current density, fill factor, conversion efficiency and quantum efficiency. The simulated results show good performances when the thickness of the buffer layer is in the range of 10-40 um due to the reduction of absorption in the short wavelenghts （380-500 nm）. High performances of the model is obtained when the series and shunt resistances is in the range of 0.1-1 Ω·cm^2 and 1,000 Ω·cm^2, respectively. Under these conditions, the cell can theoretically operate under an ambiant temperature of 370 K without any loss of its performances.

Numerical Modeling and Simulation of CIGS-Based Solar Cells with ZnS Buffer Layer

Usually a buffer layer of cadmium sulphide is used in high efficiency solar cells based on Cu(In,Ga)Se2(CIGS). Because of cadmium toxicity, many in-vestigations have been conducted to use Cd-free buffer layers. Our work focuses on this type of CIGS-based solar cells where CdS is replaced by a ZnS buffer layer. In this contribution, AFORS-HET software is used to simulate n-ZnO: Al/i-ZnO/n-ZnS/p-CIGS/Mo polycrystalline thin-film solar cell where the key parts are p-CIGS absorber layer and n-ZnS buffer layer. The characteristics of these key parts: thickness and Ga-content of the absorber layer, thickness of the buffer layer and doping concentrations of absorber and buffer layers have been investigated to optimize the conversion efficiency. We find a maximum conversion efficiency of 26% with a short-circuit current of 36.9 mA/cm2, an open circuit voltage of 824 mV, and a fill factor of 85.5%.

Numerical Simulation of Varied Buffer Layer of Solar Cells Based on Cigs

Numerical simulation has been used to investigate the effect of different buffer?layer components on the performance of CuInGaSe2?solar cells?with SCAPS-1D?software. The main photovoltaic parameters of simulated devices: open-circuit?voltage (Voc), short-circuit current (Jsc), fill factor (FF), and conversion efficiency (h),?areanalysed as a function of thickness and temperature in the different buffer layers used. According to numerical simulation the highest conversion?efficiency (23%) of CIGS solar cell is reached for the CdS buffer layer. This?result is validated by experimental results?(20%). At 300 K, when the thickness?of?the buffer layer (CdS, ZnS, ZnSe,?InSe2) increases from 100 nm to 500?nm,?with the other parameters maintained constant, the efficiency decreases. When the temperature increases from 300 K to 400 K,?with the other parameters maintained?constant, both open circuit voltage and conversion efficiency also decrease.?The?effect of dual buffer layers of ZnS/CdS has also been analysed and his efficiency increases?of 3% than a single buffer CdS.

SIMULATION OF 3-D DEFORMATION AND MATERIAL FLOW DURING ROLL FORGING PROCESS USING SYSTEM OF OVAL-ROUND GROOVE

Basing on the analysis of the traits of the roll forging process, a system-model of computer simulation has been established. Three-dimensional rigid-plastic FEM has been used for the simulation of the deformation process in the oval and round pass rolling, including the entering, rolling, and separating stages. The analysis was conducted using the Deform-3D ver.5.0 code. The important information concerned with the deformation area characteristic, material flow, and velocity field has been presented. Otherwise, the location of the neutral plane in the deformation area was shown clearly.

Aseismic ridge subduction and flat subduction:Insights from three-dimensional numerical models

Flat subduction can significantly influence the distribution of volcanism,stress state,and surface topography of the overriding plate.However,the mechanisms for inducing flat subduction remain controversial.Previous two-dimensional(2-D)numerical models and laboratory analogue models suggested that a buoyant impactor(aseismic ridge,oceanic plateau,or the like)may induce flat subduction.However,three-dimensional(3-D)systematic studies on the relationship between flat subduction and buoyant blocks are still lacking.Here,we use a 3-D numerical model to investigate the influence of the aseismic ridge,especially its width(which is difficult to consider in 2-D numerical models),on the formation of flat subduction.Our model results suggest that the aseismic ridge needs to be wide and thick enough to induce flat subduction,a condition that is difficult to satisfy on the Earth.We also find that the subduction of an aseismic ridge parallel to the trench or a double aseismic ridge normal to the trench has a similar effect on super-wide aseismic ridge subduction in terms of causing flat subduction,which can explain the flat subduction observed beneath regions such as Chile and Peru.

A 2-D Non-local Closure Model for Atmospheric Boundary Layer Simulations

In this paper a new approach for PBL simulation, the non-local closure scheme based on the transient turbulence theory has been used. It was set up as an alternative to local closure schemes which physical concept is reasonable and distinct. A 2-D non-local closure model was developed in order to study the PBL structure and simulatesome interesting atmospheric processes over non-ulliform underlying surface, especially under the convective and unique weather conditions, such as sea-land circulation and the TIBL structure. The modelled results show good agreement with field measurement.