| 汽液界面热毛细波的分子动力学模拟 |
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| 引用本文： | 张新铭,刘朝,曾丹苓.汽液界面热毛细波的分子动力学模拟[J].工程热物理学报,2003,24(6):914-916. |
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| 作者姓名： | 张新铭 刘朝 曾丹苓 |
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| 作者单位： | 重庆大学动力工程学院,重庆,400044 |
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| 基金项目： | 国家自然科学基金(No.50076048，No.50276071)，教育部留学回国人员科研启动基金(No.2002-247)，重庆市科委应用基础研究基金(No.2002-16-38) |
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| 摘 要： | 用分子动力学模拟方法研究汽液界面性质,在NVT系综中,以氩原子为对象,对长方形模拟盒中汽液平衡系统进行不同温度下的模拟计算。计算结果表明,汽液界面存在热毛细波。界面上的热涨落将使界面变宽,它不仅与界面张力有关,还与温度、界面的横截面积有关。可以把汽液界面上热毛细波的均分根涨落值,作为汽液界面的宽度和粗糙度的指标。
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| 关 键 词： | 分子动力学模拟 汽液界面 热毛细波 |
| 文章编号： | 0253-231X(2003)06-0914-03 |
| 修稿时间： | 2002年12月20 |
A MOLECULAR DYNAMICS SIMULATION OF THERMAL CAPILLARY WAVES AT LIQUID-VAPOR INTERFACE |
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| ZHANG Xin-Ming LIU Chao ZENG Dan-Ling.A MOLECULAR DYNAMICS SIMULATION OF THERMAL CAPILLARY WAVES AT LIQUID-VAPOR INTERFACE[J].Journal of Engineering Thermophysics,2003,24(6):914-916. |
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| Authors: | ZHANG Xin-Ming LIU Chao ZENG Dan-Ling |
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| Abstract: | The systems of vapor and liquid phase equilibrium is simulated by selecting Argon as working substance and using Lennard-Jones potential in the rectangle simulation box under the different temperature in the NVT canonical. It is shown that there exist thermal capillary waves in the liquid-vapor interface. The thermal fluctuation in the liquid-vapor interface makes the interface to widen. This effect depends primarily on the surface tension, the temperature, and the cross-sectional size of the interface. The value of mean-square amplitude of thermal capillary waves in the liquid-vapor interface can be selected as a width and rough parameter of the interface. |
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| Keywords: | molecular dynamic simulation interface of liquid phase and vapor phase thermal capillary wave |
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