TY - JOUR
T1 - Molecular dynamics study of heterogeneous nucleate boiling on metallic oxides
AU - He, Sihong
AU - Li, Sina
AU - Ni, Song
AU - Dong, Kejian
AU - Khan, Shahid Ali
AU - Zhao, Jiyun
PY - 2025/2
Y1 - 2025/2
N2 - This study employs molecular dynamics (MD) simulations to investigate the nanoscale boiling of water on Al2O3, CuO, Fe2O3, TiO2, and ZrO2 substrates. By regulating the mechanical piston pressure and increasing the water film height above 10 nm, the simulations adhere to 1 atm and classical nucleation theory. Boiling performance is compared based on wettability, heat flux (HF), heat transfer coefficient (HTC), bubble volume percentage, bubble growth rate, and incipient explosive boiling time. CuO exhibits the highest HF at 33.46 GW/m2, while ZrO2 shows the lowest at 14.03 GW/m2. Al2O3, Fe2O3, and TiO2 have similar HTCs, ranging from 0.106 to 0.116 GW/m2/K. Fe2O3 demonstrates the highest bubble growth rate at 151.0 Å3/ps, indicating vigorous boiling activity. The surfaces of Al2O3, TiO2, and ZrO2 present a sawtooth structure that facilitates heat transfer and nucleation, explaining why Al2O3, despite its poor wettability, initiates explosive boiling the earliest. The proposed bubble atom insertion method offers a high-fidelity analysis of bubble dynamics. Principal axis deflection angles of bubble clusters are 0° and 90° for cross-type (Al2O3, Fe2O3, TiO2) and 45° and 135° for diagonal-type (CuO, ZrO2), indicating that bubbles nucleate and grow along the paths of oxygen atoms in these oxides. © 2024 Elsevier Ltd.
AB - This study employs molecular dynamics (MD) simulations to investigate the nanoscale boiling of water on Al2O3, CuO, Fe2O3, TiO2, and ZrO2 substrates. By regulating the mechanical piston pressure and increasing the water film height above 10 nm, the simulations adhere to 1 atm and classical nucleation theory. Boiling performance is compared based on wettability, heat flux (HF), heat transfer coefficient (HTC), bubble volume percentage, bubble growth rate, and incipient explosive boiling time. CuO exhibits the highest HF at 33.46 GW/m2, while ZrO2 shows the lowest at 14.03 GW/m2. Al2O3, Fe2O3, and TiO2 have similar HTCs, ranging from 0.106 to 0.116 GW/m2/K. Fe2O3 demonstrates the highest bubble growth rate at 151.0 Å3/ps, indicating vigorous boiling activity. The surfaces of Al2O3, TiO2, and ZrO2 present a sawtooth structure that facilitates heat transfer and nucleation, explaining why Al2O3, despite its poor wettability, initiates explosive boiling the earliest. The proposed bubble atom insertion method offers a high-fidelity analysis of bubble dynamics. Principal axis deflection angles of bubble clusters are 0° and 90° for cross-type (Al2O3, Fe2O3, TiO2) and 45° and 135° for diagonal-type (CuO, ZrO2), indicating that bubbles nucleate and grow along the paths of oxygen atoms in these oxides. © 2024 Elsevier Ltd.
KW - Bubble nucleation and coalescence
KW - High-fidelity bubble definition method
KW - Mechanical piston pressure control method
KW - Metallic oxides
KW - Nanoscale heterogeneous nucleate boiling
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UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-85211014651&origin=recordpage
U2 - 10.1016/j.icheatmasstransfer.2024.108460
DO - 10.1016/j.icheatmasstransfer.2024.108460
M3 - RGC 21 - Publication in refereed journal
SN - 0735-1933
VL - 161
JO - International Communications in Heat and Mass Transfer
JF - International Communications in Heat and Mass Transfer
M1 - 108460
ER -