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A MOLECULAR DYNAMICS STUDY ON THERMOPHYSICAL PROPERTIES AND STABILITY OF NANOSCALE LIQUID THREAD

机译:纳米级液体热物理性能及稳定性的分子动力学研究

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IN recent years, the characteristic behavior of nanoscale liquid thread has drawn much attention because of its scientific interest and industrial applications. Since the experimental investigation of liquid thread properties and its stability is extremely formidable, most studies rely heavily on the theoretical or numerical approach. MD simulation is one of the useful methods to investigate interfacial phenomena and stability of nanoscale liquid thread since it can monitor dynamic motion of each molecule in the system. It can provide detailed molecular level information, such as molecular positions and velocities at each time. Although the geometrical and the temporal scales in this simulation are quite limited owing to large computation efforts, microscale behavior of material and its meaningful properties can be estimated by statistical kinetics and thermodynamics models. The objective of the present study is to investigate the interfacial regions of liquid thread and their characteristics. In addition, this study focuses on the relation between the critical wavelength of perturbation and the equimolar dividing radius, and compares with the classical theoretical model given by the Rayleigh analysis[1].
机译:近年来,由于其科学兴趣和工业应用,纳米级液体线的特征行为非常关注。由于液体螺纹特性及其稳定性的实验研究是非常强大的,大多数研究依赖于理论或数值方法。 MD仿真是研究纳米级液体螺纹的界面现象和稳定性的有用方法之一,因为它可以监测系统中每个分子的动态运动。它可以提供详细的分子水平信息,例如每次的分子位置和速度。虽然这种模拟中的几何和时间尺度非常有限,但由于大量的计算工作,材料的微观行为及其有意义的特性可以通过统计动力学和热力学模型来估算。本研究的目的是研究液体螺纹的界面区域及其特征。此外,本研究重点介绍了扰动和等摩尔划分半径的临界波长之间的关系,并与瑞利分析给出的经典理论模型进行比较[1]。

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