Cavitation inception of water with solid nanoparticles: A molecular dynamics study

Area of Science:

• Materials Science
• Physical Chemistry
• Nanotechnology

Background:

• Cavitation in liquids containing impurities is crucial for heterogeneous nucleation.
• Solid particles, common in natural and engineered water (nanofluids), significantly influence cavitation.
• Understanding nanoparticle effects on water cavitation is vital for nanotechnology and medical research.

Purpose of the Study:

• To investigate cavitation in water with nanoparticles using molecular dynamics simulations.
• To analyze the impact of nanoparticle material (SiO2, polyethylene) and size on cavitation.
• To explore the influence of nanoparticles on the water's hydrogen bond network.

Main Methods:

• Molecular dynamics simulations were employed.
• Voronoi tessellation and mean first passage time methods were used to study nucleation rates and critical bubble formation.
• Analysis of the hydrogen bond network in water was performed.

Main Results:

• Both SiO2 and polyethylene nanoparticles can destabilize the hydrogen bond network in water.
• Polyethylene nanoparticles promoted cavitation more than SiO2 nanoparticles of the same size.
• Cavitation increased with particle size up to ten times the critical bubble radius, then plateaued.

Conclusions:

• Nanoparticle presence significantly affects water cavitation by altering hydrogen bonding.
• Material type and size are key factors influencing nanoparticle-induced cavitation.
• These findings provide insights into nanoparticle-water interactions relevant to various applications.