Thermal Decomposition of Core–Shell-Structured RDX@AlH3, HMX@AlH3, and CL-20@AlH3 Nanoparticles: Reactive Molecular Dynamics Simulations
Zijian Sun, Lei Yang, Hui Li, Mengyun Mei, Lixin Ye, Jiake Fan, Weihua Zhu, Francesco Tornabene, Sotirios Baskoutas · 2024
Read Thermal Decomposition of Core–Shell-Structured RDX@AlH3, HMX@AlH3, and CL-20@AlH3 Nanoparticles: Reactive Molecular Dynamics Simulations by Zijian Sun, Lei Yang, Hui Li, Mengyun Mei, Lixin Ye, Jiake Fan, Weihua Zhu, Francesco Tornabene, Sotirios Baskoutas (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-11597835.txt.
Description
Zijian Sun and co-authors simulate how coated explosive nanoparticles break down under heat in a 2024 study. Each particle pairs a core of a standard explosive, one of three named compounds, with a shell of aluminum hydride, a fuel-rich material. Such core-shell designs aim to release energy faster and more fully.
Reactive molecular dynamics follows the atoms as the particles are heated, so bonds can break and form in the simulation. The CL-20 cored particle fell apart fastest of the three. Higher heat sped the first breakdown of all three explosives, but the shell did not change how that first step went. The team counted the main product gases and noted the solid aluminum clusters left behind. The results guide the design of energetic materials that burn as intended.
Catalog record
| CREATOR | Zijian Sun, Lei Yang, Hui Li, Mengyun Mei, Lixin Ye, Jiake Fan, Weihua Zhu, Francesco Tornabene, Sotirios Baskoutas |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 24 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |