Nanosecond laser shock detonation of nanodiamonds: from laser-matter interaction to graphite-to-diamond phase transition
Nanosecond laser shock detonation of nanodiamonds: from laser-matter interaction to graphite-to-diamond phase transition
复制标题
纳米金刚石的纳秒激光冲击爆炸：从激光-物质相互作用到石墨-金刚石相变
DOI：
10.1088/2631-7990/ac37f1
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发表时间：
2021
影响因子：
14.7
通讯作者：
Nian, Qiong
中科院分区：
文献类型：
--
作者：
Zhang, Xing;Sun, Haofan;Mao, Bo;Dai, Rui;Zhuang, Houlong;Liao, Yiliang;Nian, Qiong
纳米金刚石（ND）已被广泛探索用于药物递送、光学生物成像、传感器、量子计算等。利用约束激光冲击爆轰（CLSD）在露天环境中进行ND的室温纳米制造是一种新型的ND制造策略。然而，基本的过程机制仍不清楚。这项工作调查的基本机制，负责纳米制造的NDs在CLSD的重点是激光-物质的相互作用，约束效应的作用，和石墨到金刚石的过渡。具体而言，第一性原理模型与分子动力学模拟相结合，以描述激光诱导的热流体动力学现象和石墨到金刚石相变CLSD过程中。模拟结果阐明了在确定的温度，压力，电子数密度，和粒子速度的时间和空间演化方面的材料的激光照射的响应的约束效应。综合模型表明，预测的激光能量阈值ND合成和ND成核的效率在不同的工艺参数下的能力。这项研究将为CLSD提供重要的见解，并推动这种纳米制造策略，用于制造ND和其他高温高压合成纳米材料的广泛应用。
Nanodiamonds (NDs) have been widely explored for applications in drug delivery, optical bioimaging, sensors, quantum computing, and others. Room-temperature nanomanufacturing of NDs in open air using confined laser shock detonation (CLSD) emerges as a novel manufacturing strategy for ND fabrication. However, the fundamental process mechanism remains unclear. This work investigates the underlying mechanisms responsible for nanomanufacturing of NDs during CLSD with a focus on the laser-matter interaction, the role of the confining effect, and the graphite-to-diamond transition. Specifically, a first-principles model is integrated with a molecular dynamics simulation to describe the laser-induced thermo-hydrodynamic phenomena and the graphite-to-diamond phase transition during CLSD. The simulation results elucidate the confining effect in determining the material's responses to laser irradiation in terms of the temporal and spatial evolutions of temperature, pressure, electron number density, and particle velocity. The integrated model demonstrates the capability of predicting the laser energy threshold for ND synthesis and the efficiency of ND nucleation under varying processing parameters. This research will provide significant insights into CLSD and advance this nanomanufacturing strategy for the fabrication of NDs and other high-temperature-high-pressure synthesized nanomaterials towards extensive applications.