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
Gaseous detonation propagating in a toroidal chamber was numerically studied for hydrogen/oxygen/nitrogen mixtures. The numerical method used is based on the three-dimensional Euler equations with detailed finiterate ...Gaseous detonation propagating in a toroidal chamber was numerically studied for hydrogen/oxygen/nitrogen mixtures. The numerical method used is based on the three-dimensional Euler equations with detailed finiterate chemistry. The results show that the calculated streak picture is in qualitative agreement with the picture recorded by a high speed streak camera from published literature. The three-dimensional flow field induced by a continuously rotating detonation was visualized and distinctive features of the rotating detonations were clearly depicted. Owing to the unconfined character of detonation wavelet, a deficit of detonation parameters was observed. Due to the effects of wall geometries, the strength of the outside detonation front is stronger than that of the inside portion. The detonation thus propagates with a constant circular velocity. Numerical simulation also shows three-dimensional rotating detonation structures, which display specific feature of the detonation- shock combined wave. Discrete burning gas pockets are formed due to instability of the discontinuity. It is believed that the present study could give an insight into the interest- ing properties of the continuously rotating detonation, and is thus beneficial to the design of continuous detonation propulsion systems.展开更多
Three Complexes of the formula [Cd (4,4'-bpy)_2 (H_2O)_2]_n. (pic)_(2n) (1) [Zn (4,4'-bpy)_2 (H_2O)]_n (4,4'-bpy)_n(H_2O)_n (pic)-(2n) (2) and [Zn (4,4'-bpy)_2 (H_2O)]_n (4,4'-bpy)_n (pic)-(2n)(H_...Three Complexes of the formula [Cd (4,4'-bpy)_2 (H_2O)_2]_n. (pic)_(2n) (1) [Zn (4,4'-bpy)_2 (H_2O)]_n (4,4'-bpy)_n(H_2O)_n (pic)-(2n) (2) and [Zn (4,4'-bpy)_2 (H_2O)]_n (4,4'-bpy)_n (pic)-(2n)(H_2O)_n (3) (4.4'-bpy = 4.4'-bipyridine. pic = picric anion ) have been synthesized and characterized by elemental analysis and single-crystal x-ray diffraction. They all have infinite three-dimensional network structure. crystallizing in the monoclinic space group C2/c (1) and Cc (2.3).展开更多
3 - dimensional body measurement technology, the basis of developing high technology in industry, accelerates digital development of aplparel industry. This paper briefly introduces the history of 3 - dimensional body...3 - dimensional body measurement technology, the basis of developing high technology in industry, accelerates digital development of aplparel industry. This paper briefly introduces the history of 3 - dimensional body measurement technology, and recounts the principle and primary structure of some types of 3 - dimensional automatic body measurement system. With this understanding, it discusses prospect of 3- dimensional CAD and virtual technology used in apparel industry.展开更多
Shot peening is a widely used surface treatment method by generating compressive residual stress near the surface of metallic materials to increase fatigue life and re- sistance to corrosion fatigue, cracking, etc. Co...Shot peening is a widely used surface treatment method by generating compressive residual stress near the surface of metallic materials to increase fatigue life and re- sistance to corrosion fatigue, cracking, etc. Compressive re- sidual stress and dent profile are important factors to eval- uate the effectiveness of shot peening process. In this pa- per, the influence of dimensionless parameters on maximum compressive residual stress and maximum depth of the dent were investigated. Firstly, dimensionless relations of pro- cessing parameters that affect the maximum compressive residual stress and the maximum depth of the dent were de- duced by dimensional analysis method. Secondly, the in- fluence of each dimensionless parameter on dimensionless variables was investigated by the finite element method. Fur- thermore, related empirical formulas were given for each di- mensionless parameter based on the simulation results. Fi- nally, comparison was made and good agreement was found between the simulation results and the empirical formula, which shows that a useful approach is provided in this pa- per for analyzing the influence of each individual parameter.展开更多
A three - dimenslonal finite element model is developed to deal with the polymeric liquid flow in coat - hanger die. This model is used to predict the flow behavior of the 2％ CMC/watsr solution in the coat - hanger d...A three - dimenslonal finite element model is developed to deal with the polymeric liquid flow in coat - hanger die. This model is used to predict the flow behavior of the 2％ CMC/watsr solution in the coat - hanger die with linearly taper manifolds and its validity is experimentally verified quantitatively and qualitatively by using Laser Doppler Velocimetry and Particle Image Velocimetry respectively.展开更多
This paper points out that a successful numerical simulation is to construct a correct conceptional model which is very dose to the natural condition. A new model, two dimensional coupled three dimensional model (2D -...This paper points out that a successful numerical simulation is to construct a correct conceptional model which is very dose to the natural condition. A new model, two dimensional coupled three dimensional model (2D -3D ) is presented in the Present paper,which is the most suitable one for the dual - structured - aquifer system. An example of Wenyinghu area is shown.By using the 2D-3D model, a satisfied result of the simulated area is achieved.展开更多
Nonlinear dynamic response of nanomechanical resonator is of very important characteristics in its application. Two categories of the tension-dominant and curvaturedominant nonlinearities are analyzed. The dynamic non...Nonlinear dynamic response of nanomechanical resonator is of very important characteristics in its application. Two categories of the tension-dominant and curvaturedominant nonlinearities are analyzed. The dynamic nonlinearity of four beam structures of nanomechanical resonator is quantitatively studied via a dimensional analysis approach. The dimensional analysis shows that for the nanomechanical resonator of tension-dominant nonlinearity, its dynamic nonlinearity decreases monotonically with increasing axial loading and increases monotonically with the increasing aspect ratio of length to thickness; the dynamic nonlinearity can only result in the hardening effects. However, for the nanomechanical resonator of the curvature-dominant nonlinearity, its dynamic nonlinearity is only dependent on axial loading. Compared with the tension-dominant nonlinearity, the curvature-dominant nonlinearity increases monotonically with increasing axial loading; its dynamic nonlinearity展开更多
Flexible supercapacitors (SCs) are attractive energy storage devices for wearable electronics, but their applications are hindered by their low volumetric energy densities. Two dimensional (2D) non-carbon nanomaterial...Flexible supercapacitors (SCs) are attractive energy storage devices for wearable electronics, but their applications are hindered by their low volumetric energy densities. Two dimensional (2D) non-carbon nanomaterials are the most promising pseudocapacitive materials for high volumetric capacitance electrodes. However, they are poorly conductive and prone to self-stacking, which results in unsatisfactory electrochemical performance. In this work, large-scale V2O5·nH2O ultrathin nanosheets are synthesized by a facile and scalable method and transformed into layered and compact composite films with one-dimensional carbon nanotubes (CNTs). The self-standing films show an optimized volumetric capacitance of 521.0Fcm^-3 with only 10 wt% of CNTs, which is attributed to dramatically enhanced electrical conductivity beyond the electrical percolation threshold, high dispersion of pseudocapacitive V2O5·nH2O nanosheets, and high mass density of the films. All-solid-state flexible SCs made of V2O5·nH2O/CNTs films show a maximum energy density of 17.4WhL^-1.展开更多
In recent years the experiments of CERN-UA5 and NA22 Collaboration find that rapidity η-multiplicity N correlation is a visual scaling (s<sup>1/2</sup>=22—900 G-eV) and η<sub>cut</sub><su...In recent years the experiments of CERN-UA5 and NA22 Collaboration find that rapidity η-multiplicity N correlation is a visual scaling (s<sup>1/2</sup>=22—900 G-eV) and η<sub>cut</sub><sup>-</sup>N correlations are very complicated. These correlations may be helpful for building multihadron dynamics. We shall compare these data with the theory of quantum field at short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.
基金supported by the National Natural Science Foundation of China (10872096)the Open Fund of State Key Laboratory of Explosion Science and Technology, Beijing University of Science and Technology (KFJJ09-13)
文摘Gaseous detonation propagating in a toroidal chamber was numerically studied for hydrogen/oxygen/nitrogen mixtures. The numerical method used is based on the three-dimensional Euler equations with detailed finiterate chemistry. The results show that the calculated streak picture is in qualitative agreement with the picture recorded by a high speed streak camera from published literature. The three-dimensional flow field induced by a continuously rotating detonation was visualized and distinctive features of the rotating detonations were clearly depicted. Owing to the unconfined character of detonation wavelet, a deficit of detonation parameters was observed. Due to the effects of wall geometries, the strength of the outside detonation front is stronger than that of the inside portion. The detonation thus propagates with a constant circular velocity. Numerical simulation also shows three-dimensional rotating detonation structures, which display specific feature of the detonation- shock combined wave. Discrete burning gas pockets are formed due to instability of the discontinuity. It is believed that the present study could give an insight into the interest- ing properties of the continuously rotating detonation, and is thus beneficial to the design of continuous detonation propulsion systems.
基金National Natural Science Foundation of ChinaNatural Science Foundation of Guangxi
文摘Three Complexes of the formula [Cd (4,4'-bpy)_2 (H_2O)_2]_n. (pic)_(2n) (1) [Zn (4,4'-bpy)_2 (H_2O)]_n (4,4'-bpy)_n(H_2O)_n (pic)-(2n) (2) and [Zn (4,4'-bpy)_2 (H_2O)]_n (4,4'-bpy)_n (pic)-(2n)(H_2O)_n (3) (4.4'-bpy = 4.4'-bipyridine. pic = picric anion ) have been synthesized and characterized by elemental analysis and single-crystal x-ray diffraction. They all have infinite three-dimensional network structure. crystallizing in the monoclinic space group C2/c (1) and Cc (2.3).
基金item of significant subject construction in Shanghai
文摘3 - dimensional body measurement technology, the basis of developing high technology in industry, accelerates digital development of aplparel industry. This paper briefly introduces the history of 3 - dimensional body measurement technology, and recounts the principle and primary structure of some types of 3 - dimensional automatic body measurement system. With this understanding, it discusses prospect of 3- dimensional CAD and virtual technology used in apparel industry.
基金supported by the National Natural Science Foun-dation of China (10972228,11002150,and 91016025)the Basic Research Equipment Project of Chinese Academy of Sciences(YZ200930)
文摘Shot peening is a widely used surface treatment method by generating compressive residual stress near the surface of metallic materials to increase fatigue life and re- sistance to corrosion fatigue, cracking, etc. Compressive re- sidual stress and dent profile are important factors to eval- uate the effectiveness of shot peening process. In this pa- per, the influence of dimensionless parameters on maximum compressive residual stress and maximum depth of the dent were investigated. Firstly, dimensionless relations of pro- cessing parameters that affect the maximum compressive residual stress and the maximum depth of the dent were de- duced by dimensional analysis method. Secondly, the in- fluence of each dimensionless parameter on dimensionless variables was investigated by the finite element method. Fur- thermore, related empirical formulas were given for each di- mensionless parameter based on the simulation results. Fi- nally, comparison was made and good agreement was found between the simulation results and the empirical formula, which shows that a useful approach is provided in this pa- per for analyzing the influence of each individual parameter.
文摘A three - dimenslonal finite element model is developed to deal with the polymeric liquid flow in coat - hanger die. This model is used to predict the flow behavior of the 2％ CMC/watsr solution in the coat - hanger die with linearly taper manifolds and its validity is experimentally verified quantitatively and qualitatively by using Laser Doppler Velocimetry and Particle Image Velocimetry respectively.
文摘This paper points out that a successful numerical simulation is to construct a correct conceptional model which is very dose to the natural condition. A new model, two dimensional coupled three dimensional model (2D -3D ) is presented in the Present paper,which is the most suitable one for the dual - structured - aquifer system. An example of Wenyinghu area is shown.By using the 2D-3D model, a satisfied result of the simulated area is achieved.
基金supported by the National Natural Science Foundation of China (10721202 and 11023001)the Chinese Academy of Sciences (KJCX2-EW-L03)
文摘Nonlinear dynamic response of nanomechanical resonator is of very important characteristics in its application. Two categories of the tension-dominant and curvaturedominant nonlinearities are analyzed. The dynamic nonlinearity of four beam structures of nanomechanical resonator is quantitatively studied via a dimensional analysis approach. The dimensional analysis shows that for the nanomechanical resonator of tension-dominant nonlinearity, its dynamic nonlinearity decreases monotonically with increasing axial loading and increases monotonically with the increasing aspect ratio of length to thickness; the dynamic nonlinearity can only result in the hardening effects. However, for the nanomechanical resonator of the curvature-dominant nonlinearity, its dynamic nonlinearity is only dependent on axial loading. Compared with the tension-dominant nonlinearity, the curvature-dominant nonlinearity increases monotonically with increasing axial loading; its dynamic nonlinearity
基金supported by the National Natural Science Foundation of China (51702048 and 21603157)the National Basic Research Program of China (2015CB932600)Jiangxi Provincial Department of Education (GJJ170459 and GJJ170457)
文摘Flexible supercapacitors (SCs) are attractive energy storage devices for wearable electronics, but their applications are hindered by their low volumetric energy densities. Two dimensional (2D) non-carbon nanomaterials are the most promising pseudocapacitive materials for high volumetric capacitance electrodes. However, they are poorly conductive and prone to self-stacking, which results in unsatisfactory electrochemical performance. In this work, large-scale V2O5·nH2O ultrathin nanosheets are synthesized by a facile and scalable method and transformed into layered and compact composite films with one-dimensional carbon nanotubes (CNTs). The self-standing films show an optimized volumetric capacitance of 521.0Fcm^-3 with only 10 wt% of CNTs, which is attributed to dramatically enhanced electrical conductivity beyond the electrical percolation threshold, high dispersion of pseudocapacitive V2O5·nH2O nanosheets, and high mass density of the films. All-solid-state flexible SCs made of V2O5·nH2O/CNTs films show a maximum energy density of 17.4WhL^-1.
文摘In recent years the experiments of CERN-UA5 and NA22 Collaboration find that rapidity η-multiplicity N correlation is a visual scaling (s<sup>1/2</sup>=22—900 G-eV) and η<sub>cut</sub><sup>-</sup>N correlations are very complicated. These correlations may be helpful for building multihadron dynamics. We shall compare these data with the theory of quantum field at short
