Molecular Dynamics Study of Bubble Nucleation on Grooved Surfaces with Instantaneous Substrate Heating Using a
Ziqi Li1,2, Ziqi Cai1,2, Zhengming Gao1,2
1State Key Laboratory of Chemical Resource Engineering, School of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China.
Langmuir : the ACS Journal of Surfaces and Colloids
|March 4, 2026
Summary
Higher substrate temperatures accelerate argon bubble nucleation, while increased pressure delays it. This study maps nucleation regimes under varying temperature and pressure conditions for thermal management insights.
Area of Science:
- Materials Science
- Thermodynamics
- Computational Physics
Background:
- Understanding bubble nucleation is crucial for thermal management in microelectronic devices and fluid systems.
- Instantaneous heating of substrates can induce rapid phase transitions and bubble formation.
Purpose of the Study:
- To investigate argon bubble nucleation dynamics under instantaneous substrate heating.
- To determine the influence of substrate temperature and system pressure on nucleation parameters.
- To identify distinct nucleation regimes based on temperature and pressure.
Main Methods:
- Molecular dynamics (MD) simulations were employed.
- A pressure-control method was used to maintain system pressure.
- Simulations involved saturated liquid/vapor argon at varying substrate temperatures (130-150 K) and pressures (2-30 atm).
Main Results:
- Increased substrate temperature reduced critical nucleation volume and accelerated nucleation.
- Elevated system pressure enlarged critical nucleation volume and prolonged nucleation time.
- Three nucleation regimes were identified: non-nucleation, transition, and easier nucleation.
Conclusions:
- Temperature and pressure have opposing effects on bubble nucleation kinetics.
- Nucleation time ranged from 1 to 15 ns, and critical volume from 1 to 9 nm³.
- Findings offer insights into thermal management for rapid heating systems with fluid films.
