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
Intercepted signal blind separation is a research topic with high importance for both military and civilian communication systems. A blind separation method for space-time block code （STBC） systems is proposed by us...Intercepted signal blind separation is a research topic with high importance for both military and civilian communication systems. A blind separation method for space-time block code （STBC） systems is proposed by using the ordinary independent component analysis （ICA）. This method cannot work when specific complex modulations are employed since the assumption of mutual independence cannot be satisfied. The analysis shows that source signals, which are group-wise independent and use multi-dimensional ICA （MICA） instead of ordinary ICA, can be applied in this case. Utilizing the block-diagonal structure of the cumulant matrices, the JADE algorithm is generalized to the multidimensional case to separate the received data into mutually independent groups. Compared with ordinary ICA algorithms, the proposed method does not introduce additional ambiguities. Simulations show that the proposed method overcomes the drawback and achieves a better performance without utilizing coding information than channel estimation based algorithms.展开更多
Space-time coding radar has been recently proposed and investigated.It is a radar framework which can perform transmit beamforming at the receiver.However,the range resolution decreases when the number of the transmit...Space-time coding radar has been recently proposed and investigated.It is a radar framework which can perform transmit beamforming at the receiver.However,the range resolution decreases when the number of the transmit element increases.A subarray-based space-time coding(sub-STC)radar is explored to alleviate the range resolution reduction.For the proposed radar configuration,an identical waveform is transmitted and it introduces a small time offset in different subarrays.The multidimensional ambiguity function of sub-STC radar is defined by considering resolutions in multiple domains including the range,Doppler,angle and probing direction.Analyses on properties of the multi-dimensional ambiguity function of the sub-STC radar with regard to the spatial coverage,resolution performance and low sidelobes are also given.Results reveal that the range resolution and low sidelobes performance are improved with the proposed approach.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 (61201282)
文摘Intercepted signal blind separation is a research topic with high importance for both military and civilian communication systems. A blind separation method for space-time block code （STBC） systems is proposed by using the ordinary independent component analysis （ICA）. This method cannot work when specific complex modulations are employed since the assumption of mutual independence cannot be satisfied. The analysis shows that source signals, which are group-wise independent and use multi-dimensional ICA （MICA） instead of ordinary ICA, can be applied in this case. Utilizing the block-diagonal structure of the cumulant matrices, the JADE algorithm is generalized to the multidimensional case to separate the received data into mutually independent groups. Compared with ordinary ICA algorithms, the proposed method does not introduce additional ambiguities. Simulations show that the proposed method overcomes the drawback and achieves a better performance without utilizing coding information than channel estimation based algorithms.
基金supported by the National Key Research and Development Program of China(2016YFE0200400)the Key R&D Program of Shaanxi Province(2017KW-ZD-12)+1 种基金the Postdoctoral Science Foundation of Shaanxi Provincethe Nature Science Foundation of Shaanxi Province
文摘Space-time coding radar has been recently proposed and investigated.It is a radar framework which can perform transmit beamforming at the receiver.However,the range resolution decreases when the number of the transmit element increases.A subarray-based space-time coding(sub-STC)radar is explored to alleviate the range resolution reduction.For the proposed radar configuration,an identical waveform is transmitted and it introduces a small time offset in different subarrays.The multidimensional ambiguity function of sub-STC radar is defined by considering resolutions in multiple domains including the range,Doppler,angle and probing direction.Analyses on properties of the multi-dimensional ambiguity function of the sub-STC radar with regard to the spatial coverage,resolution performance and low sidelobes are also given.Results reveal that the range resolution and low sidelobes performance are improved with the proposed approach.
