Two-dimensional energetic materials(2DEMs),characterized by their exceptional interlayer sliding properties,are recognized as exemplar of low-sensitivity energetic materials.However,the diversity of available 2DEMs is...Two-dimensional energetic materials(2DEMs),characterized by their exceptional interlayer sliding properties,are recognized as exemplar of low-sensitivity energetic materials.However,the diversity of available 2DEMs is severely constrained by the absence of efficient methods for rapidly predicting crystal packing modes from molecular structures,impeding the high-throughput rational design of such materials.In this study,we employed quantified indicators,such as hydrogen bond dimension and maximum planar separation,to quickly screen 172DEM and 16 non-2DEM crystal structures from a crystal database.They were subsequently compared and analyzed,focusing on hydrogen bond donor-acceptor combinations,skeleton features,and intermolecular interactions.Our findings suggest that theπ-πpacking interaction energy is a key determinant in the formation of layered packing modes by planar energetic molecules,with its magnitude primarily influenced by the strongest dimericπ-πinteraction(π-π2max).Consequently,we have delineated a critical threshold forπ-π2max to discern layered packing modes and formulated a theoretical model for predictingπ-π2max,grounded in molecular electrostatic potential and dipole moment analysis.The predictive efficacy of this model was substantiated through external validation on a test set comprising 31 planar energetic molecular crystals,achieving an accuracy of 84%and a recall of 75%.Furthermore,the proposed model shows superior classification predictive performance compared to typical machine learning methods,such as random forest,on the external validation samples.This contribution introduces a novel methodology for the identification of crystal packing modes in 2DEMs,potentially accelerating the design and synthesis of high-energy,low-sensitivity 2DEMs.展开更多
Instead of the capillary plasma generator(CPG),a discharge rod plasma generator(DRPG)is used in the30 mm electrothermal-chemical(ETC)gun to improve the ignition uniformity of the solid propellant.An axisymmetric two-d...Instead of the capillary plasma generator(CPG),a discharge rod plasma generator(DRPG)is used in the30 mm electrothermal-chemical(ETC)gun to improve the ignition uniformity of the solid propellant.An axisymmetric two-dimensional interior ballistics model of the solid propellant ETC gun(2D-IB-SPETCG)is presented to describe the process of the ETC launch.Both calculated pressure and projectile muzzle velocity accord well with the experimental results.The feasibility of the 2D-IB-SPETCG model is proved.Depending on the experimental data and initial parameters,detailed distribution of the ballistics parameters can be simulated.With the distribution of pressure and temperature of the gas phase and the propellant,the influence of plasma during the ignition process can be analyzed.Because of the radial flowing plasma,the propellant in the area of the DRPG is ignited within 0.01 ms,while all propellant in the chamber is ignited within 0.09 ms.The radial ignition delay time is much less than the axial delay time.During the ignition process,the radial pressure difference is less than 5 MPa at the place 0.025 m away from the breech.The radial ignition uniformity is proved.The temperature of the gas increases from several thousand K(conventional ignition)to several ten thousand K(plasma ignition).Compare the distribution of the density and temperature of the gas,we know that low density and high temperature gas appears near the exits of the DRPG,while high density and low temperature gas appears at the wall near the breech.The simulation of the 2D-IB-SPETCG model is an effective way to investigate the interior ballistics process of the ETC launch.The 2D-IB-SPETC model can be used for prediction and improvement of experiments.展开更多
Based on the analysis of the principles of frequency-phase scanning 3-D （three-dimensional） radar and the scattering mechanism of 3-D radar, the target and clutter IF （intermediate frequency） signals model of freq...Based on the analysis of the principles of frequency-phase scanning 3-D （three-dimensional） radar and the scattering mechanism of 3-D radar, the target and clutter IF （intermediate frequency） signals model of frequencyphase scanning 3-D radar is presented. The IF signals model of different channels of 3-D radar is presented in one simple formula in which complex waveform effects are considered. The simulation results obtained during tests are also provided in the end.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
An optimization method is introduced to design the aerodynamic parameters of a dual-spin twodimensional guided projectile with the canards for trajectory correction. The nose guidance component contains two pairs of c...An optimization method is introduced to design the aerodynamic parameters of a dual-spin twodimensional guided projectile with the canards for trajectory correction. The nose guidance component contains two pairs of canards which can provide lift and despin with the projectile for stability. The optimal design algorithm is developed to decide the profiles both of the steering and spinning canards,and their deflection angles are also simulated to meet the needs of trajectory correction capabilities.Finally, the aerodynamic efficiency of the specific canards is discussed according to the CFD simulations.Results that obtained here can be further applied to the exterior ballistics design.展开更多
Based on the low inductance technology and parallel-plate transmission principle,an experimental apparatus of small-scale slapper initiating primary high explosives driven by electrical explosion is designed and estab...Based on the low inductance technology and parallel-plate transmission principle,an experimental apparatus of small-scale slapper initiating primary high explosives driven by electrical explosion is designed and established.The problem of instantaneously and continuously measuring the velocity of the small-scale slapper is successfully solved by using the technique of laser interference.Compared with the results published on the literatures at home and abroad,data of the experimental and the numerical simulation shown in this paper are more proper to reflect the physical process of electrical explosion driving slapper.One-dimensional numerical simulation of electrical explosion driving slapper is done using the hydrodynamic code.The experimental results are consistent with the computed ones by introducing a power correction factor.In the end,the introduced power correction factor is discussed.展开更多
Aimed at unbalance of soil temperature field of ground source heat pump system, solar aided energy storage system was established. In solar assisted ground-source heat pump (SAGSHP) system with soil storage, solar ene...Aimed at unbalance of soil temperature field of ground source heat pump system, solar aided energy storage system was established. In solar assisted ground-source heat pump (SAGSHP) system with soil storage, solar energy collected in three seasons was stored in the soil by vertical U type soil exchangers. The heat abstracted by the ground-source heat pump and collected by the solar collector was employed to heating. Some of the soil heat exchangers were used to store solar energy in the soil so as to be used in next winter after this heating period; and the others were used to extract cooling energy directly in the soil by circulation pump for air conditioning in summer. After that solar energy began to be stored in the soil and ended before heating period. Three dimensional dynamic numerical simulations were built for soil and soil heat exchanger through finite element method. Simulation was done in different strata month by month. Variation and restoration of soil temperature were studied. Economy and reliability of long term SAGSHP system were revealed. It can be seen that soil temperature is about 3 ℃ higher than the original one after one year's running. It is beneficial for the system to operate for long period.展开更多
According to Cubic law and incompressible fluid law of mass conservation, the seepage character of the fracture surface was simulated with the simulation method of fractal theory and random Brown function. Furthermore...According to Cubic law and incompressible fluid law of mass conservation, the seepage character of the fracture surface was simulated with the simulation method of fractal theory and random Brown function. Furthermore, the permeability coefficient of the single fracture was obtained. In order to test the stability of the method, 500 simulations were conducted on each different fractal dimension. The simulated permeability coefficient was analyzed in probability density distribution and probability cumulative distribution statistics. Statistics showed that the discrete degree of the permeability coefficient increases with the increase of the fractal dimension. And the calculation result has better stability when the fractal dimension value is relatively small. According to the Bayes theory, the characteristic index of the permeability coefficient on fractal dimension P（Dfi｜ Ri） is established. The index, P（Dfi｜ Ri）, shows that when the simulated permeability coefficient is relatively large, it can clearly represent the fractal dimension of the structure surface, the probability is 82%. The calculated results of the characteristic index verify the feasibility of the method.展开更多
基金support from National Natural Science Foundation of China(Grant Nos.22275145,22305189and 21875184)Natural Science Foundation of Shaanxi Province(Grant Nos.2022JC-10 and 2024JC-YBQN-0112).
文摘Two-dimensional energetic materials(2DEMs),characterized by their exceptional interlayer sliding properties,are recognized as exemplar of low-sensitivity energetic materials.However,the diversity of available 2DEMs is severely constrained by the absence of efficient methods for rapidly predicting crystal packing modes from molecular structures,impeding the high-throughput rational design of such materials.In this study,we employed quantified indicators,such as hydrogen bond dimension and maximum planar separation,to quickly screen 172DEM and 16 non-2DEM crystal structures from a crystal database.They were subsequently compared and analyzed,focusing on hydrogen bond donor-acceptor combinations,skeleton features,and intermolecular interactions.Our findings suggest that theπ-πpacking interaction energy is a key determinant in the formation of layered packing modes by planar energetic molecules,with its magnitude primarily influenced by the strongest dimericπ-πinteraction(π-π2max).Consequently,we have delineated a critical threshold forπ-π2max to discern layered packing modes and formulated a theoretical model for predictingπ-π2max,grounded in molecular electrostatic potential and dipole moment analysis.The predictive efficacy of this model was substantiated through external validation on a test set comprising 31 planar energetic molecular crystals,achieving an accuracy of 84%and a recall of 75%.Furthermore,the proposed model shows superior classification predictive performance compared to typical machine learning methods,such as random forest,on the external validation samples.This contribution introduces a novel methodology for the identification of crystal packing modes in 2DEMs,potentially accelerating the design and synthesis of high-energy,low-sensitivity 2DEMs.
文摘Instead of the capillary plasma generator(CPG),a discharge rod plasma generator(DRPG)is used in the30 mm electrothermal-chemical(ETC)gun to improve the ignition uniformity of the solid propellant.An axisymmetric two-dimensional interior ballistics model of the solid propellant ETC gun(2D-IB-SPETCG)is presented to describe the process of the ETC launch.Both calculated pressure and projectile muzzle velocity accord well with the experimental results.The feasibility of the 2D-IB-SPETCG model is proved.Depending on the experimental data and initial parameters,detailed distribution of the ballistics parameters can be simulated.With the distribution of pressure and temperature of the gas phase and the propellant,the influence of plasma during the ignition process can be analyzed.Because of the radial flowing plasma,the propellant in the area of the DRPG is ignited within 0.01 ms,while all propellant in the chamber is ignited within 0.09 ms.The radial ignition delay time is much less than the axial delay time.During the ignition process,the radial pressure difference is less than 5 MPa at the place 0.025 m away from the breech.The radial ignition uniformity is proved.The temperature of the gas increases from several thousand K(conventional ignition)to several ten thousand K(plasma ignition).Compare the distribution of the density and temperature of the gas,we know that low density and high temperature gas appears near the exits of the DRPG,while high density and low temperature gas appears at the wall near the breech.The simulation of the 2D-IB-SPETCG model is an effective way to investigate the interior ballistics process of the ETC launch.The 2D-IB-SPETC model can be used for prediction and improvement of experiments.
文摘Based on the analysis of the principles of frequency-phase scanning 3-D （three-dimensional） radar and the scattering mechanism of 3-D radar, the target and clutter IF （intermediate frequency） signals model of frequencyphase scanning 3-D radar is presented. The IF signals model of different channels of 3-D radar is presented in one simple formula in which complex waveform effects are considered. The simulation results obtained during tests are also provided in the end.
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.
文摘An optimization method is introduced to design the aerodynamic parameters of a dual-spin twodimensional guided projectile with the canards for trajectory correction. The nose guidance component contains two pairs of canards which can provide lift and despin with the projectile for stability. The optimal design algorithm is developed to decide the profiles both of the steering and spinning canards,and their deflection angles are also simulated to meet the needs of trajectory correction capabilities.Finally, the aerodynamic efficiency of the specific canards is discussed according to the CFD simulations.Results that obtained here can be further applied to the exterior ballistics design.
基金Sponsored by the Foundation of Institute of Fluid Physics of China Academy of Engineering Physics
文摘Based on the low inductance technology and parallel-plate transmission principle,an experimental apparatus of small-scale slapper initiating primary high explosives driven by electrical explosion is designed and established.The problem of instantaneously and continuously measuring the velocity of the small-scale slapper is successfully solved by using the technique of laser interference.Compared with the results published on the literatures at home and abroad,data of the experimental and the numerical simulation shown in this paper are more proper to reflect the physical process of electrical explosion driving slapper.One-dimensional numerical simulation of electrical explosion driving slapper is done using the hydrodynamic code.The experimental results are consistent with the computed ones by introducing a power correction factor.In the end,the introduced power correction factor is discussed.
基金Project(GC06A316) supported by the Key Technologies Research and Development Program of Heilongjiang Province, China Project(11531038) supported by the Program of the Educational Commission of Heilongjiang Province of China.
文摘Aimed at unbalance of soil temperature field of ground source heat pump system, solar aided energy storage system was established. In solar assisted ground-source heat pump (SAGSHP) system with soil storage, solar energy collected in three seasons was stored in the soil by vertical U type soil exchangers. The heat abstracted by the ground-source heat pump and collected by the solar collector was employed to heating. Some of the soil heat exchangers were used to store solar energy in the soil so as to be used in next winter after this heating period; and the others were used to extract cooling energy directly in the soil by circulation pump for air conditioning in summer. After that solar energy began to be stored in the soil and ended before heating period. Three dimensional dynamic numerical simulations were built for soil and soil heat exchanger through finite element method. Simulation was done in different strata month by month. Variation and restoration of soil temperature were studied. Economy and reliability of long term SAGSHP system were revealed. It can be seen that soil temperature is about 3 ℃ higher than the original one after one year's running. It is beneficial for the system to operate for long period.
基金Project(50934006) supported by the National Natural Science Foundation of ChinaProject(CX2012B070) supported by Hunan Provincial Innovation Foundation for Postgraduate,ChinaProject(1343-76140000024) Supported by Academic New Artist Ministry of Education Doctoral Post Graduate in 2012,China
文摘According to Cubic law and incompressible fluid law of mass conservation, the seepage character of the fracture surface was simulated with the simulation method of fractal theory and random Brown function. Furthermore, the permeability coefficient of the single fracture was obtained. In order to test the stability of the method, 500 simulations were conducted on each different fractal dimension. The simulated permeability coefficient was analyzed in probability density distribution and probability cumulative distribution statistics. Statistics showed that the discrete degree of the permeability coefficient increases with the increase of the fractal dimension. And the calculation result has better stability when the fractal dimension value is relatively small. According to the Bayes theory, the characteristic index of the permeability coefficient on fractal dimension P（Dfi｜ Ri） is established. The index, P（Dfi｜ Ri）, shows that when the simulated permeability coefficient is relatively large, it can clearly represent the fractal dimension of the structure surface, the probability is 82%. The calculated results of the characteristic index verify the feasibility of the method.
