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Construction of nano laboratory based on molecular dynamics

基于分子动力学的纳米实验室建设

基本信息

批准号：
06452192
负责人：
NAKAO Masayuki
金额：
$ 0.83万
依托单位：
The University of Tokyo
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (B)
财政年份：
1994
资助国家：
日本
起止时间：
1994 至 1995
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-06452192/
关键词：
Molecular dynamics Nano laboratory Micro contact Micro sliding Micro plastic flow SEM

项目摘要

The purpose of the research is construct a "nano laboratory" for verifying molecular dynamics. It is composed of a precise actuator, a fine force sensor and dynamic SEM observation. It can analyze a reciprocal action of atoms wihch have a surface roughness and a relative velocity. Though it measures the tiny atoms, an operator can change a process consciously in order to achieve ujdge and knowledge using dynamic vision, force and sound. Because of its function, we call it a alaboratory, not a measuring device.We made experiments with the laboratory in a field emission type SEM and calculations with molecular dynamics. Next we compared the both an checked the coincidence.We tried to make the both of the following micro phenomena : 1) deformation of carbon or gold of the plate on which ceramics or metal of the needle is slid with a real contact area of 0.1 mum in diameter, 2) Pressure of an air between the solid plates with a gap of 0.05 mum at a velocity of 1 m/s, 3) plastic flow of aluminum which is cut by a diamond blade of 0.05mum in tip radius, 4) re-deformation of indented hole of 0.1mum in depth which Ni-Ti makes by a twin mechanism after a heat treatment.From the tesult of experiments and calculations, We clarified that calculations of phenomena of 10,000 atoms for several fs take about 1 day even with a super computer, and that experiments need to redece a working area to about 10 nm area to compare with calculation reslt. But the function of the nano laboratory is realized ; the physical phenomena is qualitatively analyzed because the operator achieves his knowledge from the experimental result.

本研究的目的是构建一个验证分子动力学的“纳米实验室”。它由精密执行器、精密测力传感器和动态扫描电子显微镜观察组成。它可以分析具有表面粗糙度和相对速度的原子的相互作用。虽然它测量的是微小的原子，但操作员可以有意识地改变一个过程，以利用动态的视觉、力和声音来实现ujdge和知识。由于它的功能，我们称它为实验室，而不是测量装置。我们在实验室进行了场发射型扫描电子显微镜实验，并用分子动力学进行了计算。接下来，我们将两者进行比较并检验其一致性。我们试图使以下两种微观现象都发生：1)针尖陶瓷或金属在其上滑动且实际接触面积为0.1微米的平板的碳或金的变形，2)以1米/S的速度在间隙为0.05微米的实心板之间的空气压力，3)被尖端半径为0.05微米的金刚石刀片切割的铝的塑性流动，4)Ni-Ti用孪生机制制成的0.1微米深的压痕空穴在热处理后的再变形。从实验和计算的结果看，用超级计算机计算10,000个原子数飞秒的现象需要1天左右的时间，实验需要将工作面积重新测量到10 nm左右才能与计算结果相比较。但纳米实验室的功能是实现的，因为操作者从实验结果中获得了他的知识，所以对物理现象进行了定性分析。