A5100603448- Energetic Materials and Combustion
- Crystallography and molecular interactions
- Thermal and Kinetic Analysis
- Lubricants and Their Additives
- Boron and Carbon Nanomaterials Research
- Force Microscopy Techniques and Applications
- Ionic liquids properties and applications
- Concrete and Cement Materials Research
- Tribology and Wear Analysis
- Rocket and propulsion systems research
- Aquaculture Nutrition and Growth
- Crystallization and Solubility Studies
- Machine Learning in Materials Science
- Chemical Thermodynamics and Molecular Structure
- Metal and Thin Film Mechanics
- Chemical Reactions and Mechanisms
- Innovations in Concrete and Construction Materials
- Computational Drug Discovery Methods
- Photonic and Optical Devices
- Digital Transformation in Industry
- Innovative concrete reinforcement materials
- Fish Ecology and Management Studies
- Ammonia Synthesis and Nitrogen Reduction
- High-Velocity Impact and Material Behavior
- Analytical Chemistry and Sensors
China Academy of Engineering Physics
2015-2025
Beijing Computational Science Research Center
2017-2024
Nanjing University of Science and Technology
2024
Hubei University
2024
Sichuan Agricultural University
2022-2023
Xuzhou College of Industrial Technology
2023
Fuzhou University
2023
North China University of Technology
2023
University of South China
2023
Institute of Chemistry
2023
The crystal packing structure–safety (usually represented by sensitivity) relationships of energetic materials (EMs) are requisite to set a basis for tailoring new ones with the desired safety means engineering, because is one two most important properties EMs which there always high concern.
Alleviating the energy & safety contradiction of energetic materials through crystal engineering.
High energy density is always a key goal in the development of storage or energetic materials (EMs). The EM molecules under constrain 2D may be assembled with higher density.
Maintaining osmotic equilibrium plays an important role in the survival of cold-water fishes. Heat stress has been proven to reduce activity Na+/K+-ATPase gill tissue, leading destruction equilibrium. However, mechanism megatemperature affecting osmoregulation not fully elucidated.In this study, Siberian sturgeon (Acipenser baerii) was used analyze histopathological change, plasma ion level, and transcriptome tissue subjected 20℃, 24℃and 28℃. The results showed that ROS level damage were...
Abstract A series of new halogen-free dicationic ionic liquids (ILs) with different alkyl chain lengths were prepared, and the relationship between length, physicochemical tribological properties ILs, their role as neat lubricant for steel-steel friction pairs, was investigated. Evaluation stability during hydrolysis copper strip corrosion test results show that synthetic ILs are stable not corrosive to metal contacts, due anions. The wear indicate long chains have excellent...
High-throughput design of energetic molecules implemented by molecular docking, AI-aided design, an automated computation workflow, a structure−property database, deep learning QSPRs and easy-to-use platform.
The intramolecular H transfer of energetic NO<sub>2</sub>-compounds has been recognized as a possible primary step in triggering molecular decomposition for long time.
Creating new energetic materials (EMs) of high energy and safety (low sensitivity) is one the most important objectives research related to EMs. In addition synthesis compounds, constructing EMs by crystal engineering currently recognized be a breakthrough. present work, we reveal underlying mechanism observed impact sensitivity (IS) variations cocrystal series diacetone diperoxide—(DADP)/1,3,5-trichloro-2,4,6-trinitrobenzene (TCTNB), DADP/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB),...
We propose a strategy to combine highly energetic but unstable hydrogen-free molecules with hydrogenous form stable energetic–energetic cocrystals and maintain their high energy, developed by analyzing the crystal packing of BTF-based EECCs.
A simple one-step strategy for the preparation of a bifunctional Zr-Al-Beta zeolite with external open Zr(<sc>iv</sc>) sites, showing high activity cascade reaction.
The effects of two alkanolamines, triethanolamine (TEA) and diethanol-isopropanolamine (DEIPA), on cement hydration were comparatively investigated by several techniques including calorimetry, in situ X-ray diffraction analysis pore solution analysis. Results show that the regime is greatly altered depending their types dosages. At dosage 0.5%, aluminate reactions, formation AFt reaction C 4 AF, are accelerated, consequently silicate retarded. Compared to DEIPA, TEA increases [Al] solution,...
Energetic materials (EMs) are a group of special energy materials, and it is generally full safety risks costs much to create new EMs. Thus, machine learning (ML)-aided discovery becomes highly desired for EMs, as ML good at risk cost reduction. This work decodes hexanitrobenzene (HNB) 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) two distinctive energetic nitrobenzene compounds by ML, in combination with theoretical calculations. Based on series accurate models density, heat formation, bond...
This paper unveils the characteristics of planar and layer-stacked CHON-containing molecules.
F-containing explosives with additional F atoms compared to traditional CHON ones should contain a more complex decomposition mechanism. Nevertheless, understanding the mechanism and effect of groups on stability remains limited. This study investigates thermal mechanisms two typical compounds, 3,3,7,7-tetrakis(difluoramino)-octahydro-1,5-dinitro-1,5-diazocine (HNFX) 1,3,5-trinitro-2,2-bis(trifluoromethyl)-1,3,5-triazinane (TNBFT), using ground-state ab initio molecular dynamics simulations...