Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This st...Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions.展开更多
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...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.展开更多
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-...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.展开更多
Molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-per...Molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-period cosin field. The maximum applied field strength was 10^8 V/m , the maximum frequency of the alternating current field and that of the positive-half-period cosine field was 10^12 Hz . The simulation revealed that the field type and field strength act on the population of the molecular configuration. In the strong direct current field, all trans forms converted completely into gauche forms. Order parameter and the correlation of the system torsion angle were also investigated. The results suggested that these two dynamical parameters depended also on the field type and the field strength. The maximum of order parameter was found to be at 0.6in the strong direct current field.展开更多
Molecular dynamic simulation was employed to predict the melting points Tm of TNAD/HMX, TNAD/RDX, TNAD/DINA, and TNAD/DNP systems （tans-1,4,5,8- tetranitro-1,4,5,8-tetraazadacalin （TNAD）, dinitropiperazine （DNP）,...Molecular dynamic simulation was employed to predict the melting points Tm of TNAD/HMX, TNAD/RDX, TNAD/DINA, and TNAD/DNP systems （tans-1,4,5,8- tetranitro-1,4,5,8-tetraazadacalin （TNAD）, dinitropiperazine （DNP）, cyclotetramethylenetetranitroamine （HMX）, cyclotrimethylenetrinitramine （RDX）, and N-nitrodihydroxyethylaminedinitrate （DINA））. Tm was determined from the inflexion point on the curve of mean specific volume vs. temperature. The result shows that the Tm values of TNAD/HMX, TNAD/RDX, and TNAD/DINA systems are 500, 536, and 488 K, respectively. The TNAD/DNP system has no obvious Tm value, which shows the system is insoluble. Using Tm, the solubility of the four systems was analyzed. The radial distribution functions of the four systems were analyzed and the main intermolecular forces between TNAD and other energetic components are short-range interactions. The better the solubility is, the stronger the intermoleenlar interaction is. In addition, the force field energy at different temperature was also analyzed to predict Tm of the four systems.展开更多
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 ...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.展开更多
Nowadays, extractive distillation is the main technique to produce 1,3-butadiene. This study simulated the 1,3-butadiene production process with DMF extractive distillation by Aspen Plus. The solvent ratio is the most...Nowadays, extractive distillation is the main technique to produce 1,3-butadiene. This study simulated the 1,3-butadiene production process with DMF extractive distillation by Aspen Plus. The solvent ratio is the most important parameter to the extractive distillation process. The article has given out the proper solvent ratios, reflux ratios, distillate ratios, and bottom product ratios of the columns. It also discusses the thermal loads of several columns. The results of simulation are consequently compared with the plant data, which shows good accordance with each other.展开更多
This paper measured permeability of three-dimension braided preform by radial technology. The results show that principal permeability tensor coincided with their braiding axial direction. The software of one dimensio...This paper measured permeability of three-dimension braided preform by radial technology. The results show that principal permeability tensor coincided with their braiding axial direction. The software of one dimensional flow filling mold was designed using Visual C++ language. Filling time is predicted and validated. The result showed that the filling time of the mold centerline agrees with the prediction value. The filling time of the mould edge is shorter than that of the prediction. An actual plate of 3D braided preform/ modified polyarylacetylene composite is produced according to prediction value and validation analysis.展开更多
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 pro...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.展开更多
Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network mode...Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network model and measured data,a 3-D fracture network dynamic modeling method based on error analysis was proposed.Firstly,errors of four fracture volume density estimation methods(proposed by ODA,KULATILAKE,MAULDON,and SONG)and that of four fracture size estimation methods(proposed by EINSTEIN,SONG and TONON)were respectively compared,and the optimal methods were determined.Additionally,error index representing the deviation between fracture network model and measured data was established with integrated use of fractal dimension and relative absolute error(RAE).On this basis,the downhill simplex method was used to build the dynamic modeling method,which takes the minimum of error index as objective function and dynamically adjusts the fracture density and size parameters to correct the error index.Finally,the 3-D fracture network model could be obtained which meets the requirements.The proposed method was applied for 3-D fractures simulation in Miao Wei hydropower project in China for feasibility verification and the error index reduced from 2.618 to 0.337.展开更多
The Secondary Air System(SAS)plays an important role in the safe operation and performance of aeroengines.The traditional 1D-3D coupling method loses information when used for secondary air systems,which affects the c...The Secondary Air System(SAS)plays an important role in the safe operation and performance of aeroengines.The traditional 1D-3D coupling method loses information when used for secondary air systems,which affects the calculation accuracy.In this paper,a Cross-dimensional Data Transmission method(CDT)from 3D to 1D is proposed by introducing flow field uniformity into the data transmission.First,a uniformity index was established to quantify the flow field parameter distribution characteristics,and a uniformity index prediction model based on the locally weighted regression method(Lowess)was established to quickly obtain the flow field information.Then,an information selection criterion in 3D to 1D data transmission was established based on the Spearman rank correlation coefficient between the uniformity index and the accuracy of coupling calculation,and the calculation method was automatically determined according to the established criterion.Finally,a modified function was obtained by fitting the ratio of the 3D mass-average parameters to the analytical solution,which are then used to modify the selected parameters at the 1D-3D interface.Taking a typical disk cavity air system as an example,the results show that the calculation accuracy of the CDT method is greatly improved by a relative 53.88%compared with the traditional 1D-3D coupling method.Furthermore,the CDT method achieves a speedup of 2 to 3 orders of magnitude compared to the 3D calculation.展开更多
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 carri...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.展开更多
To provide a test platform for Electronic Warfare (EW) system, it is needed to simulate the radar received Intermediate Frequency (IF) signals and radar system functions.This letter gives a description of a radar syst...To provide a test platform for Electronic Warfare (EW) system, it is needed to simulate the radar received Intermediate Frequency (IF) signals and radar system functions.This letter gives a description of a radar system simulation software developed for frequencyphase scanning three-dimensional (3-D) radar. Experimental results prove that the software could be used for system evaluation and for training purposes as an attractive alternative to real EW system.展开更多
An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly hand...An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly handle the case of the fast moving targets in high squint geometry.As for the issue,the analytical expression for the two Dimensional(2-D)signal spectrum of moving targets is derived and a fast raw echo simulation method is proposed in this study.The proposed simulator can accommodate the moving targets in the high squint geometry,whose processing steps of the simulation are given in detail and its computational complexity is analyzed.The simulation data for static and moving targets are processed and analyzed,and the results are given to validate the effectiveness of the proposed approach.展开更多
In this work, the effect of the fullerene（C_（60）） weight fraction and PB-C_（60） interaction on the glass transition temperature（T_g） of polymer chains has been systemically investigated by adopting the united ...In this work, the effect of the fullerene（C_（60）） weight fraction and PB-C_（60） interaction on the glass transition temperature（T_g） of polymer chains has been systemically investigated by adopting the united atom model of cis-1,4-poly（butadiene）（cis-PB）. Various chain dynamics properties, such as atom translational mobility, bond/segment reorientation dynamics, torsional dynamics, conformational transition rate and dynamic heterogeneity of the cis-PB chains, are analyzed in detail. It is found that T_g could be affected by the C_（60） weight fraction due to its inhibition effect on the mobility of the cis-PB chains. However, T_g is different, which depends on different dynamics scales. Among the chain dynamics properties, T_g is the lowest from atom translational mobility, while it is the highest from the dynamic heterogeneity. In addition, T_g can be more clearly distinguished from the dynamic heterogeneity; however, the conformational transition rate seems to be not very sensitive to the C_（60） weight fraction compared with others. For pure cis-PB chains, T_g and the activation energy in this work can be compared with those of other polymers. In addition, the temperature dependence of the dynamic properties has different Arrhenius behaviors above and below T_g. The activation energy below T_g is lower than that above T_g. This work can help to understand the effect of the C_（60） on the dynamic properties and glass transition temperature of the cis-PB chains from different scales.展开更多
Objective： To provide essential information for peptide inhibitor design, the interactions of Eps15 homology domain of Eps15 homology domain-containing protein 1 （EHD1 EH domain） with three peptides containing NPF ...Objective： To provide essential information for peptide inhibitor design, the interactions of Eps15 homology domain of Eps15 homology domain-containing protein 1 （EHD1 EH domain） with three peptides containing NPF （asparagine-proline-phenylalanine）, DPF （aspartic acid-proline-phenylalanine）, and GPF （glycine-proline-phenylalanine） motifs were deciphered at the atomic level. The binding affinities and the underlying structure basis were investigated. Methods： Molecular dynamics （MD） simulations were performed on EHD1 EH domain/peptide complexes for 60 ns using the GROMACS package. The binding free energies were calculated and decomposed by molecular mechanics/ generalized Born surface area （MM/GBSA） method using the AMBER package. The alanine scanning was performed to evaluate the binding hot spot residues using FoldX software. Results： The different binding affinities for the three peptides were affected dominantly by van der Waals interactions. Intermolecular hydrogen bonds provide the struc- tural basis of contributions of van der Waals interactions of the flanking residues to the binding. Conclusions： van der Waals interactions should be the main consideration when we design peptide inhibitors of EHD1 EH domain with high affinities. The ability to form intermolecular hydrogen bonds with protein residues can be used as the factor for choosing the flanking residues.展开更多
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 h...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.展开更多
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 demonstrat...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.展开更多
文摘Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions.
文摘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.
文摘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.
文摘Molecular dynamics simulation was carried out to study the behavior of liquid 1,2-dichloroethane molecules under external electric fields including direct current field, alternating current field and positive-half-period cosin field. The maximum applied field strength was 10^8 V/m , the maximum frequency of the alternating current field and that of the positive-half-period cosine field was 10^12 Hz . The simulation revealed that the field type and field strength act on the population of the molecular configuration. In the strong direct current field, all trans forms converted completely into gauche forms. Order parameter and the correlation of the system torsion angle were also investigated. The results suggested that these two dynamical parameters depended also on the field type and the field strength. The maximum of order parameter was found to be at 0.6in the strong direct current field.
基金V. ACKNOWLEDGMENTS This work was supported by the National Natural Science Foundation of China （No.U1304111）, the Laboratory of Science and Technology on Combustion and Explosion （No.9140C3501021101）, China Postdoctoral Science Foundation （No.2013M531361）, and Jiangsu Planned Projects for Postdoctoral Research Funds （No.1201015B）.
文摘Molecular dynamic simulation was employed to predict the melting points Tm of TNAD/HMX, TNAD/RDX, TNAD/DINA, and TNAD/DNP systems （tans-1,4,5,8- tetranitro-1,4,5,8-tetraazadacalin （TNAD）, dinitropiperazine （DNP）, cyclotetramethylenetetranitroamine （HMX）, cyclotrimethylenetrinitramine （RDX）, and N-nitrodihydroxyethylaminedinitrate （DINA））. Tm was determined from the inflexion point on the curve of mean specific volume vs. temperature. The result shows that the Tm values of TNAD/HMX, TNAD/RDX, and TNAD/DINA systems are 500, 536, and 488 K, respectively. The TNAD/DNP system has no obvious Tm value, which shows the system is insoluble. Using Tm, the solubility of the four systems was analyzed. The radial distribution functions of the four systems were analyzed and the main intermolecular forces between TNAD and other energetic components are short-range interactions. The better the solubility is, the stronger the intermoleenlar interaction is. In addition, the force field energy at different temperature was also analyzed to predict Tm of the four systems.
基金supported by National Natural Science Foundation of China(Nos.41204077,41372290,41572244,51034003,51174210,and 51304126)natural science foundation of Shandong Province(Nos.ZR2011EEZ002 and ZR2013EEQ019)State Key Research Development Program of China(No.2016YFC0600708-3)
文摘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.
文摘Nowadays, extractive distillation is the main technique to produce 1,3-butadiene. This study simulated the 1,3-butadiene production process with DMF extractive distillation by Aspen Plus. The solvent ratio is the most important parameter to the extractive distillation process. The article has given out the proper solvent ratios, reflux ratios, distillate ratios, and bottom product ratios of the columns. It also discusses the thermal loads of several columns. The results of simulation are consequently compared with the plant data, which shows good accordance with each other.
文摘This paper measured permeability of three-dimension braided preform by radial technology. The results show that principal permeability tensor coincided with their braiding axial direction. The software of one dimensional flow filling mold was designed using Visual C++ language. Filling time is predicted and validated. The result showed that the filling time of the mold centerline agrees with the prediction value. The filling time of the mould edge is shorter than that of the prediction. An actual plate of 3D braided preform/ modified polyarylacetylene composite is produced according to prediction value and validation analysis.
基金supported by the National Natural Science Foundation of China(No.50675014).
文摘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.
基金Project(51321065)supported by the Innovative Research Groups of the National Natural Science Foundation of ChinaProject(2013CB035904)supported by the National Basic Research Program of China(973 Program)Project(51439005)supported by the National Natural Science Foundation of China
文摘Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network model and measured data,a 3-D fracture network dynamic modeling method based on error analysis was proposed.Firstly,errors of four fracture volume density estimation methods(proposed by ODA,KULATILAKE,MAULDON,and SONG)and that of four fracture size estimation methods(proposed by EINSTEIN,SONG and TONON)were respectively compared,and the optimal methods were determined.Additionally,error index representing the deviation between fracture network model and measured data was established with integrated use of fractal dimension and relative absolute error(RAE).On this basis,the downhill simplex method was used to build the dynamic modeling method,which takes the minimum of error index as objective function and dynamically adjusts the fracture density and size parameters to correct the error index.Finally,the 3-D fracture network model could be obtained which meets the requirements.The proposed method was applied for 3-D fractures simulation in Miao Wei hydropower project in China for feasibility verification and the error index reduced from 2.618 to 0.337.
基金supported by the National Science and Technology Major Project,China(No.2017-III-0010-0036).
文摘The Secondary Air System(SAS)plays an important role in the safe operation and performance of aeroengines.The traditional 1D-3D coupling method loses information when used for secondary air systems,which affects the calculation accuracy.In this paper,a Cross-dimensional Data Transmission method(CDT)from 3D to 1D is proposed by introducing flow field uniformity into the data transmission.First,a uniformity index was established to quantify the flow field parameter distribution characteristics,and a uniformity index prediction model based on the locally weighted regression method(Lowess)was established to quickly obtain the flow field information.Then,an information selection criterion in 3D to 1D data transmission was established based on the Spearman rank correlation coefficient between the uniformity index and the accuracy of coupling calculation,and the calculation method was automatically determined according to the established criterion.Finally,a modified function was obtained by fitting the ratio of the 3D mass-average parameters to the analytical solution,which are then used to modify the selected parameters at the 1D-3D interface.Taking a typical disk cavity air system as an example,the results show that the calculation accuracy of the CDT method is greatly improved by a relative 53.88%compared with the traditional 1D-3D coupling method.Furthermore,the CDT method achieves a speedup of 2 to 3 orders of magnitude compared to the 3D calculation.
基金Project was supported by the National Natural Science Foundation of China(Grant No.11902003).
文摘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.
文摘To provide a test platform for Electronic Warfare (EW) system, it is needed to simulate the radar received Intermediate Frequency (IF) signals and radar system functions.This letter gives a description of a radar system simulation software developed for frequencyphase scanning three-dimensional (3-D) radar. Experimental results prove that the software could be used for system evaluation and for training purposes as an attractive alternative to real EW system.
文摘An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly handle the case of the fast moving targets in high squint geometry.As for the issue,the analytical expression for the two Dimensional(2-D)signal spectrum of moving targets is derived and a fast raw echo simulation method is proposed in this study.The proposed simulator can accommodate the moving targets in the high squint geometry,whose processing steps of the simulation are given in detail and its computational complexity is analyzed.The simulation data for static and moving targets are processed and analyzed,and the results are given to validate the effectiveness of the proposed approach.
基金financial supports from the start-up funding of Beijing University of Chemical Technology(BUCT)for excellent introduced talentsthe Fundamental Research Funds for the Central Universities(JD1711)
文摘In this work, the effect of the fullerene（C_（60）） weight fraction and PB-C_（60） interaction on the glass transition temperature（T_g） of polymer chains has been systemically investigated by adopting the united atom model of cis-1,4-poly（butadiene）（cis-PB）. Various chain dynamics properties, such as atom translational mobility, bond/segment reorientation dynamics, torsional dynamics, conformational transition rate and dynamic heterogeneity of the cis-PB chains, are analyzed in detail. It is found that T_g could be affected by the C_（60） weight fraction due to its inhibition effect on the mobility of the cis-PB chains. However, T_g is different, which depends on different dynamics scales. Among the chain dynamics properties, T_g is the lowest from atom translational mobility, while it is the highest from the dynamic heterogeneity. In addition, T_g can be more clearly distinguished from the dynamic heterogeneity; however, the conformational transition rate seems to be not very sensitive to the C_（60） weight fraction compared with others. For pure cis-PB chains, T_g and the activation energy in this work can be compared with those of other polymers. In addition, the temperature dependence of the dynamic properties has different Arrhenius behaviors above and below T_g. The activation energy below T_g is lower than that above T_g. This work can help to understand the effect of the C_（60） on the dynamic properties and glass transition temperature of the cis-PB chains from different scales.
基金supported by the National Natural Science Foundation of China(Nos.11172259 and 31471807)the Special Fund for Agro-scientific Research in the Public Interest(No.201403030),China
文摘Objective： To provide essential information for peptide inhibitor design, the interactions of Eps15 homology domain of Eps15 homology domain-containing protein 1 （EHD1 EH domain） with three peptides containing NPF （asparagine-proline-phenylalanine）, DPF （aspartic acid-proline-phenylalanine）, and GPF （glycine-proline-phenylalanine） motifs were deciphered at the atomic level. The binding affinities and the underlying structure basis were investigated. Methods： Molecular dynamics （MD） simulations were performed on EHD1 EH domain/peptide complexes for 60 ns using the GROMACS package. The binding free energies were calculated and decomposed by molecular mechanics/ generalized Born surface area （MM/GBSA） method using the AMBER package. The alanine scanning was performed to evaluate the binding hot spot residues using FoldX software. Results： The different binding affinities for the three peptides were affected dominantly by van der Waals interactions. Intermolecular hydrogen bonds provide the struc- tural basis of contributions of van der Waals interactions of the flanking residues to the binding. Conclusions： van der Waals interactions should be the main consideration when we design peptide inhibitors of EHD1 EH domain with high affinities. The ability to form intermolecular hydrogen bonds with protein residues can be used as the factor for choosing the flanking residues.
基金supported by the National Natural Science Foundation of China(Grant Nos.41904149 and 12173038)Stable-Support Scientific Project of China Research Institute of Radiowave Propagation(Grant No.A132001W07)the National Institute of Natural Hazards,Ministry of Emergency Management of China(Grant No.2021-JBKY-11).
文摘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.
基金Supported by the National Natural Science Foundation of China under Grant Nos 61178028,11674243 and 11674242the National Basic Research Program of China under Grant No 2015CB755403
文摘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.
