Ma Ding, Zhang Xiaohui, Fu Qi, Qing Shan, Wang Hua
Faculty of Metallurgy and Energy Engineering, Kunming University of Science and Technology, Kunming, Yunnan 650093, PR China.
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology, Kunming, Yunnan 650093, PR China.
Langmuir. 2024 Apr 30;40(17):9068-9081. doi: 10.1021/acs.langmuir.4c00449. Epub 2024 Apr 17.
Shockwave-induced changes in nanobubbles cause cavitation erosion and membrane damage but can also be applied to biocarrier transport. Currently, research focuses on single nanobubbles; however, in reality, nanobubbles usually appear as a multibubble system. Therefore, this study proposes a method based on cutting and replicating to construct a multibubble model. This method can be widely applied to molecular dynamics (MD) models and enhance the customization capabilities of MD models. The dynamic behavior of a multinanobubble system with different numbers and arrangements of nanobubbles is investigated with the MD method under the influence of shock waves in a liquid argon system. The study also explores the range of influence between nanobubbles. The results show that in the case of two nanobubbles, when the distance between the bubbles is constant, the smaller the angle between the direction of the shock wave and the line connecting the bubbles, the greater is the influence between nanobubbles, and the moment of collapse of the nanobubbles farther away from the shock wave is slower. When three nanobubbles are arranged with a right offset, after the first bubble collapses, the effect on the other two bubbles is similar to the changes in bubbles when the angle of arrangement is 30° or 60°. Under a different arrangement, the change of shock wave velocity on the nanobubble size only affects its collapse time and contraction collapse rate. When the shock wave with a radian of about 2.87 or greater than 2.87 touches the bubbles, the collapse of the second nanobubble will not be affected.
冲击波引起的纳米气泡变化会导致空化侵蚀和膜损伤,但也可应用于生物载体运输。目前,研究集中在单个纳米气泡上;然而,在实际中,纳米气泡通常以多气泡系统的形式出现。因此,本研究提出一种基于切割和复制的方法来构建多气泡模型。该方法可广泛应用于分子动力学(MD)模型,并增强MD模型的定制能力。在液氩系统中,利用MD方法研究了具有不同数量和排列的纳米气泡的多纳米气泡系统在冲击波影响下的动态行为。该研究还探索了纳米气泡之间的影响范围。结果表明,在两个纳米气泡的情况下,当气泡之间的距离恒定时,冲击波方向与连接气泡的线之间的夹角越小,纳米气泡之间的影响越大,离冲击波较远的纳米气泡的坍塌时刻越慢。当三个纳米气泡以直角偏移排列时,第一个气泡坍塌后,对另外两个气泡的影响类似于排列角度为30°或60°时气泡的变化。在不同的排列下,冲击波速度对纳米气泡尺寸的变化仅影响其坍塌时间和收缩坍塌率。当弧度约为2.87或大于2.87的冲击波接触气泡时,第二个纳米气泡的坍塌将不受影响。