Al/Ni energetic structural material with both high strength structural properties and high energy release functional properties can undergo a strong exothermic reaction under heating or impact loading conditions. In order to investigate the influence of microstructure on the mechanical properties and energy release characteristics of the Al/Ni energetic structural material, the materials with different Ni contents were prepared by cold spraying. With the increase of Ni particles, the microstructure inside the energetic structural material gradually changes from a continuous network structure of Al to a continuous network structure of Ni. The contact between Ni particles will make the stress transfer more uniform during the compression process of the energetic structural material, which enhances their strength. The results of heat-induced exothermic and shock-induced energy release show that the Al/Ni energetic structural material exhibits the best exothermic performance when Ni particles are uniformly dispersed and there are enough Al and Ni to make the material completely transform into the AlNi phase. The increase in the contact interface between Al and Ni particles facilitates the occurrence of a solid/solid reaction exothermic reaction between Al and Ni as well as the diffusion of Ni into the Al melt to generate the AlNi phase. The formation of the Ni continuous phase will lead to a reduction in the contact interface between Al and Ni, as well as an increase in porosity, which will result in a decrease in the amount of heat released during the diffusion reaction. This study will provide insights into the preparation of an Al/Ni energetic structural material with excellent properties.
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http://dx.doi.org/10.1021/acs.langmuir.4c02146 | DOI Listing |
Org Lett
January 2025
School of Pharmacy, Yantai University, Yantai 264005, P. R. China.
Compared with the energetically favorable 5- or 6-membered fluoro-functionalized heterocycles, the construction of medium-sized fluoro-heterocycles is relatively under-researched because of their inherently unfavorable enthalpic and entropic nature. Based on rational design and DFT calculations, a novel photocatalytic difluoromethyl radical-initiated intramolecular 7--trig cyclization was realized, thus affording a sustainable route for the synthesis of challenging fluoro-functionalized medium-sized -heterocycles. Depending on atomic dipole moment corrected Hirshfeld population (ADCH) charge calculations, the chemoselective 6--trig radical cyclizations were further replenished.
View Article and Find Full Text PDFNanoscale
January 2025
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
Ammonium perchlorate (AP) is widely utilized in aerospace, defense and other fields due to its high energy density, exceptional stability, easy availability and adaptability. However, the high sensitivity and hygroscopicity of AP severely constrain its application in numerous fields. In this study, a two-step continuous coating method was employed to construct AP-based energetic microcapsules with low sensitivity and hygroscopicity.
View Article and Find Full Text PDFNanoscale
January 2025
Laboratory of New Materials for Solar Energetics, Department of Materials Science, Lomonosov Moscow State University, 1 Lenin Hills, 119991, Moscow, Russia.
Identification of crystal structures is a crucial stage in the exploration of novel functional materials. This procedure is usually time-consuming and can be false-positive or false-negative. This necessitates a significant level of expert proficiency in the field of crystallography and, especially, requires deep experience in perovskite-related structures of hybrid perovskites.
View Article and Find Full Text PDFNatl Sci Rev
February 2025
Institutes of Physical Science and Information Technology, School of Chemistry & Chemical Engineering; Engineering Research Center of Autonomous Unmanned System Technology (Ministry of Education), Anhui Provincial Engineering Research Center for Unmanned System and Intelligent Technology, School of Artificial Intelligence, Anhui University, Hefei 230601, China.
Tracking atomic structural evolution along chemical transformation pathways is essential for optimizing chemical transitions and enhancing control. However, molecule-level knowledge of structural rearrangements during chemical processes remains a great challenge. Here, we couple infrared spectroscopy as a non-invasive method to probe molecular transformations, with a machine-learned protocol to immediately map the spectroscopic fingerprints to atomistic structures.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Université de Lorraine and CNRS, LPCT, UMR 7019, F-54000 Nancy, France.
The efficient functioning of dye-sensitized solar cells (DSSCs) is governed by the interplay of three essential components: the semiconductor, the dye, and the electrolyte. While the impact of the electrolyte composition on the device's performance has been extensively studied in n-type DSSCs, much less is known about p-type-based devices. Here, we investigate the effect of potential-determining ions on the energetics and stability of dye-sensitized NiO surfaces by using electrochemical, ab initio molecular dynamics simulations, and ab initio electronic structure calculations.
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