Cavitation in liquid with impurities is important in heterogeneous nucleation applications. One of the most widely existing kinds of impurities is solid particles, which can be found in natural water from rivers and specially prepared water such as nanofluids. Understanding the effects caused by the existence of nanoparticles on cavitation in water is vital to the rapidly developed nanotechnologies and medical researches. In this study, cavitation in water with nanoparticles is investigated through molecular dynamics simulations. The effects by nanoparticle materials and sizes on cavitation are discussed by using SiO₂ and polyethylene spherical nanoparticles with different diameters. The nucleation rate and the formation of critical bubbles in cavitation are studied via the Voronoi tessellation and the mean first passage time methods. The hydrogen bond network in water is also analyzed. Results reveal that SiO⁠₂ and polyethylene nanoparticles may destabilize the hydrogen bond network in water. With the same particle size, cavitation in water with polyethylene nanoparticles is promoted to a greater extent than that with SiO₂ nanoparticles. With the same nanoparticle material, cavitation is promoted with the increase in particle size in a range spanning half to ten times the critical bubble radius. Beyond this range, particle size has little influence on cavitation. Reasons for those effects on cavitation due to the presence of solid nanoparticles are discussed by analysing the changes of hydrogen bonds network in water.

在异质成核应用中，带有杂质的液体中的空化作用很重要。固体杂质是存在最广泛的一种杂质，可以从河流的天然水和经过特殊处理的水（例如纳米流体）中发现。理解纳米颗粒的存在对水中空化的影响对于迅速发展的纳米技术和医学研究至关重要。在这项研究中，通过分子动力学模拟研究了纳米颗粒在水中的空化现象。通过使用不同直径的SiO ₂和聚乙烯球形纳米颗粒，讨论了纳米颗粒材料和尺寸对空化的影响。通过空泡研究了空化的成核速率和临界气泡的形成。Voronoi细分和平均首次通过时间方法。还分析了水中的氢键网络。结果表明，SiO ₂和聚乙烯纳米颗粒可能会破坏水中的氢键网络。在相同粒径的情况下，聚乙烯纳米颗粒在水中的空化作用比SiO ₂纳米颗粒在更大的程度上促进了空化作用。使用相同的纳米颗粒材料，在临界气泡半径的一半到十倍的范围内，随着颗粒尺寸的增加，促进了空化作用。超过此范围，粒径对空化的影响很小。通过分析水中氢键网络的变化，讨论了由于存在固体纳米颗粒而对空化产生影响的原因。