Heuser Ben, Bergermann Armin, Stevenson Michael G, Ranjan Divyanshu, He Zhiyu, Lütgert Julian, Schumacher Samuel, Bethkenhagen Mandy, Descamps Adrien, Galtier Eric, Gleason Arianna E, Khaghani Dimitri, Glenn Griffin D, Cunningham Eric F, Glenzer Siegfried H, Hartley Nicholas J, Hernandez Jean-Alexis, Humphries Oliver S, Katagiri Kento, Lee Hae Ja, McBride Emma E, Miyanishi Kohei, Nagler Bob, Ofori-Okai Benjamin, Ozaki Norimasa, Pandolfi Silvia, Qu Chongbing, May Philipp Thomas, Redmer Ronald, Schoenwaelder Christopher, Sueda Keiichi, Yabuuchi Toshinori, Yabashi Makina, Lukic Bratislav, Rack Alexander, Zinta Lisa M V, Vinci Tommaso, Benuzzi-Mounaix Alessandra, Ravasio Alessandra, Kraus Dominik
Institut für Physik, Universität Rostock, Albert-Einstein-Str. 23-24, 18059, Rostock, Germany.
Helmholtz-Zentrum Dresden-Rossendorf, Institute of Radiation Physics, Dresden, 01328, Germany.
Sci Rep. 2024 May 28;14(1):12239. doi: 10.1038/s41598-024-62367-7.
Laser-driven dynamic compression experiments of plastic materials have found surprisingly fast formation of nanodiamonds (ND) via X-ray probing. This mechanism is relevant for planetary models, but could also open efficient synthesis routes for tailored NDs. We investigate the release mechanics of compressed NDs by molecular dynamics simulation of the isotropic expansion of finite size diamond from different P-T states. Analysing the structural integrity along different release paths via molecular dynamic simulations, we found substantial disintegration rates upon shock release, increasing with the on-Hugnoiot shock temperature. We also find that recrystallization can occur after the expansion and hence during the release, depending on subsequent cooling mechanisms. Our study suggests higher ND recovery rates from off-Hugoniot states, e.g., via double-shocks, due to faster cooling. Laser-driven shock compression experiments of polyethylene terephthalate (PET) samples with in situ X-ray probing at the simulated conditions found diamond signal that persists up to 11 ns after breakout. In the diffraction pattern, we observed peak shifts, which we attribute to thermal expansion of the NDs and thus a total release of pressure, which indicates the stability of the released NDs.
对塑料材料进行的激光驱动动态压缩实验发现，通过X射线探测能以惊人的速度形成纳米金刚石（ND）。这种机制与行星模型相关，但也可能为定制纳米金刚石开辟高效的合成途径。我们通过对处于不同P-T状态的有限尺寸金刚石的各向同性膨胀进行分子动力学模拟，研究了压缩纳米金刚石的释放机制。通过分子动力学模拟分析沿不同释放路径的结构完整性，我们发现冲击释放时的解体率很高，且随着冲击绝热线温度的升高而增加。我们还发现，取决于后续的冷却机制，再结晶可能在膨胀后即释放过程中发生。我们的研究表明，由于冷却速度更快，通过非冲击绝热线状态（例如通过双冲击）可以实现更高的纳米金刚石回收率。在模拟条件下对聚对苯二甲酸乙二酯（PET）样品进行的带有原位X射线探测的激光驱动冲击压缩实验发现，金刚石信号在突破后持续长达11纳秒。在衍射图样中，我们观察到了峰位移动，我们将其归因于纳米金刚石的热膨胀，从而表明压力完全释放，这意味着释放出的纳米金刚石具有稳定性。
