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Liquid evaporation on a nanoscale is significantly strengthened by microscopic effects, with its rate even exceeding the predicted upper limit of the classical Hertz-Knudsen equation. This property makes nanoscale liquid evaporation highly valuable for applications in solar-driven interfacial evaporation, electronics cooling, and microfluidics. However, existing research predominantly focuses on the influence of individual microscopic effects, leaving the synergistic mechanisms of multiple effects to be poorly understood. To deeply reveal the microscopic mechanism of liquid phase change on a nanoscale, this study employs liquid argon as a model system to systematically investigate the synergistic effect of potential energy and cavitation on its evaporation. Using molecular dynamics simulations, we study the evaporation process of liquid argon within nanochannels characterized by different solid-liquid interaction strengths under identical temperature and time frame. The results indicate that an increase in the solid-liquid interaction strength reduces the average potential energy of liquid argon and increases the evaporation energy barrier, which theoretically should suppress the evaporation. Nevertheless, the capillary pressure induced by the increased meniscus curvature leads to negative pressure within the liquid argon, triggering a cavitation effect. This cavitation generates bubbles inside the liquid argon, which significantly increases the evaporation surface area and consequently promotes evaporation. Furthermore, the meniscus-dominated evaporation mode is gradually weakened, while the contribution from cavitation bubbles becomes increasingly pronounced. This study demonstrates that the evaporation rates of liquid argon in the four nanochannels with different interaction strengths are 3.49×10–14, 3.95×10–14, 3.02×10–14, and 2.44×10–14 kg/s, respectively. Therefore, it can be concluded that the evaporation rate does not vary linearly with the increase of solid-liquid interaction strength. On the contrary, under moderate interaction intensity, the optimal synergistic state between potential energy and the cavitation effect is achieved, thereby obtaining a maximum evaporation rate.
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Keywords:
- molecular dynamics /
- nanoscale evaporation /
- liquid argon potential energy /
- cavitation effect /
- synergistic interaction
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图 1 物理模型结构示意图 (a) 立体视图; (b) 侧视图
Figure 1. Schematic diagram of the physical model structure: (a) 3D view; (b) side view.
图 2 不同的固-液相互作用强度下液氩原子数量随时间变化
Figure 2. Time-dependent variation in the number of argon atoms under different solid-liquid interaction strengths.
图 3 不同的固-液相互作用强度下液氩的蒸发速率
Figure 3. Evaporation rate of liquid argon under different solid-liquid interaction strengths.
图 4 纳米通道内液氩势能与密度分布的计算原理图
Figure 4. Schematic diagram of the computational methodology for potential energy and density distributions of liquid argon in nanochannels.
图 5 液氩原子沿通道高度方向的势能分布
Figure 5. Potential energy profile of argon atoms along the channel height direction.
图 6 液氩沿通道高度方向的密度分布
Figure 6. Density profile of liquid argon along the channel height direction.
图 7 液氩原子沿通道高度方向的势能分布云图 (a) εsl = 0.5εll; (b) εsl = εll; (c) εsl = 2εll; (d) εsl = 4εll
Figure 7. Contour plots of liquid argon atomic potential energy distribution along the channel height Direction: (a) εsl = 0.5εll; (b) εsl = εll; (c) εsl = 2εll; (d) εsl = 4εll.
图 8 固-液相互作用强度为$ {\varepsilon }_{\mathrm{s}\mathrm{l}}=0.5{\varepsilon }_{\mathrm{l}\mathrm{l}} $时, 对应时刻(a)通道内液氩的状态, 以及(b)通道内液氩压力沿通道长度方向的分布
Figure 8. (a) Snapshots of liquid argon configuration within the channel and (b) corresponding pressure profile along the channel’s longitudinal (y) axis under solid-liquid interaction $ {\varepsilon }_{\mathrm{s}\mathrm{l}}=0.5{\varepsilon }_{\mathrm{l}\mathrm{l}} $.
图 9 固-液相互作用强度为$ {\varepsilon }_{\mathrm{s}\mathrm{l}}={\varepsilon }_{\mathrm{l}\mathrm{l}} $时, 对应时刻(a)通道内液氩的状态, 以及(b)通道内液氩压力沿通道长度方向的分布
Figure 9. (a) Snapshots of liquid argon configuration within the channel and (b) corresponding pressure profile along the channel’s longitudinal (y) axis under solid-liquid interaction $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={\varepsilon }_{\mathrm{l}\mathrm{l}} $.
图 10 固-液相互作用强度为$ {\varepsilon }_{\mathrm{s}\mathrm{l}}={2\varepsilon }_{\mathrm{l}\mathrm{l}} $ 时, 对应时刻(a)通道内液氩的形态, 以及(b)通道内液氩压力沿通道长度方向的分布
Figure 10. (a) Snapshots of liquid argon configuration within the channel and (b) corresponding pressure profile along the channel’s longitudinal (y) axis under solid-liquid interaction $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={2\varepsilon }_{\mathrm{l}\mathrm{l}} $.
图 11 固-液相互作用强度为$ {\varepsilon }_{\mathrm{s}\mathrm{l}}={4\varepsilon }_{\mathrm{l}\mathrm{l}} $时, 对应时刻(a)通道内液氩的形态, 以及(b)通道内液氩压力沿通道长度方向的分布
Figure 11. (a) Snapshots of liquid argon configuration within the channel and (b) corresponding pressure profile along the channel’s longitudinal (y) axis under solid-liquid interaction $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={4\varepsilon }_{\mathrm{l}\mathrm{l}} $.
图 12 不同固-液相互作用强度条件下空化气泡溃灭前气泡内的蒸汽原子 (a) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={\varepsilon }_{\mathrm{l}\mathrm{l}} $; (b) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={2\varepsilon }_{\mathrm{l}\mathrm{l}} $; (c) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={4\varepsilon }_{\mathrm{l}\mathrm{l}} $
Figure 12. Vapor atoms within cavitation bubbles immediately before collapse under different solid-liquid interaction strengths: (a) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={\varepsilon }_{\mathrm{l}\mathrm{l}} $; (b) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={2\varepsilon }_{\mathrm{l}\mathrm{l}} $; (c) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={4\varepsilon }_{\mathrm{l}\mathrm{l}} $.
图 13 不同固-液相互作用强度条件下各部分的蒸发数量
Figure 13. Evaporation quantities of different components under various solid-liquid interaction strengths.
图 14 不同固-液相互作用强度条件下弯液面与空化气泡蒸发数量占比
Figure 14. Proportion of evaporation quantities at meniscus and cavitation bubbles under various solid-liquid interaction strengths.
图 15 确定液氩弯液面几何轮廓的计算原理图
Figure 15. Schematic diagram of the computational methodology for determining the geometric profile of the liquid argon meniscus.
图 16 不同固-液相互作用强度下弯液面的几何轮廓及其曲率半径 (a) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={\varepsilon }_{\mathrm{l}\mathrm{l}} $; (b) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={2\varepsilon }_{\mathrm{l}\mathrm{l}} $; (c) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}=4{\varepsilon }_{\mathrm{l}\mathrm{l}} $
Figure 16. Geometric profile of the meniscus and its radius of curvature under different solid-liquid interaction strengths: (a) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={\varepsilon }_{\mathrm{l}\mathrm{l}} $; (b) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={2\varepsilon }_{\mathrm{l}\mathrm{l}} $; (c) $ {\varepsilon }_{\mathrm{s}\mathrm{l}}={4\varepsilon }_{\mathrm{l}\mathrm{l}} $.
表 1 不同固-液相互作用强度下液氩的理论物理性质
Table 1. Theoretical physical properties of liquid argon under different solid-liquid interaction intensities.
固-液势能
强度$ {\varepsilon }_{\mathrm{s}\mathrm{l}} $R/nm $ \gamma $/(mN·m–1) $ {P}_{\mathrm{c}} $/bar $ {P}_{\mathrm{v}} $/bar $ {P}_{\mathrm{l}} $/bar $ {\varepsilon }_{\mathrm{l}\mathrm{l}} $ 1.25 9.15 73.20 3.22 –69.98 2$ {\varepsilon }_{\mathrm{l}\mathrm{l}} $ 1.23 9.3 75.61 2.82 –72.79 4$ {\varepsilon }_{\mathrm{l}\mathrm{l}} $ 1.24 9.24 74.52 2.99 –71.53 
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