Molecular dynamics study incorporating regression analysis: Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases

doi:10.1088/1674-1056/ae0894

中国物理B ›› 2025, Vol. 34 ›› Issue (11): 114704-114704.doi: 10.1088/1674-1056/ae0894

Molecular dynamics study incorporating regression analysis: Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases

Bingheng Li(李丙衡)¹, Yujian Gao(高雨键)¹, Mian Yu(余绵)¹, Lianfeng Wu(吴连锋)², Lianxiang Ma(马连湘)¹, and Yuanzheng Tang(唐元政)^1,†

1 College of Electromechanical Engineering, Qingdao University of Science and Technology, Qingdao 266061, China;
2 State Key Laboratory of Marine Coatings, Marine Chemical Research Institute Co., Ltd., Qingdao 266071, China

收稿日期:2025-07-01 修回日期:2025-09-17 接受日期:2025-09-18 发布日期:2025-11-06
基金资助:
This work was supported by the National Natural Science Foundation of China (Grant No. 52176077).

Molecular dynamics study incorporating regression analysis: Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases

Bingheng Li(李丙衡)¹, Yujian Gao(高雨键)¹, Mian Yu(余绵)¹, Lianfeng Wu(吴连锋)², Lianxiang Ma(马连湘)¹, and Yuanzheng Tang(唐元政)^1,†

1 College of Electromechanical Engineering, Qingdao University of Science and Technology, Qingdao 266061, China;
2 State Key Laboratory of Marine Coatings, Marine Chemical Research Institute Co., Ltd., Qingdao 266071, China

Received:2025-07-01 Revised:2025-09-17 Accepted:2025-09-18 Published:2025-11-06
Contact: Yuanzheng Tang E-mail:tangyuanzheng@163.com
Supported by:
This work was supported by the National Natural Science Foundation of China (Grant No. 52176077).

摘要/Abstract

摘要： Molecular dynamics simulations were employed to establish a more realistic model of nanoscale boiling phase transitions. We examined the effects of different configurations of nanoscale sinusoidal protrusions and surface wettability on the phase transition behavior of systems containing insoluble gases under continuous heat flux input. To enhance the clarity and comparability of the results, a quantitative evaluation method was introduced. The findings reveal that, under identical wettability conditions, increasing the number of sinusoidal protrusions accelerates the onset of phase transition. In contrast, for a fixed number of protrusions, higher surface wettability delays the initiation of the phase change. By incorporating regression analysis to quantify the phase transition process and compare influencing factors, it was observed that although high wettability generally inhibits phase transition, the synergistic interaction between surface structure and wettability ultimately facilitates the phase transition process.

关键词: molecular dynamics, boiling, heat flux, insoluble gas

Abstract: Molecular dynamics simulations were employed to establish a more realistic model of nanoscale boiling phase transitions. We examined the effects of different configurations of nanoscale sinusoidal protrusions and surface wettability on the phase transition behavior of systems containing insoluble gases under continuous heat flux input. To enhance the clarity and comparability of the results, a quantitative evaluation method was introduced. The findings reveal that, under identical wettability conditions, increasing the number of sinusoidal protrusions accelerates the onset of phase transition. In contrast, for a fixed number of protrusions, higher surface wettability delays the initiation of the phase change. By incorporating regression analysis to quantify the phase transition process and compare influencing factors, it was observed that although high wettability generally inhibits phase transition, the synergistic interaction between surface structure and wettability ultimately facilitates the phase transition process.

Key words: molecular dynamics, boiling, heat flux, insoluble gas

中图分类号: (Cavitation and boiling)

47.55.dp

44.20.+b (Boundary layer heat flow) 44.90.+c (Other topics in heat transfer) 83.10.Mj (Molecular dynamics, Brownian dynamics)

Bingheng Li(李丙衡), Yujian Gao(高雨键), Mian Yu(余绵), Lianfeng Wu(吴连锋), Lianxiang Ma(马连湘), and Yuanzheng Tang(唐元政). Molecular dynamics study incorporating regression analysis: Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases[J]. 中国物理B, 2025, 34(11): 114704-114704.

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Molecular dynamics study incorporating regression analysis: Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases

Molecular dynamics study incorporating regression analysis: Quantitative effects of sinusoidal protrusions and wettability on water phase transition containing insoluble gases

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