539 並列分子動力学によるナノ現象の定量解析(S06-2 メッシュ生成 (2),S06 メッシュ生成)

概要

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Chemical vapor deposition (CVD) is gradually emphasized as one promising method for nanomaterial formation. Such growth mechanism has been mainly investigated on basis of experiment. Due to large cost of the equipment of experiment and low level of current measurement, the comprehension about authentic effect of formation condition on properties of nanomaterial is limited in qualitative manner. In this simulation, parallel molecular dynamics simulation was developed and three quantitative items: flatness of primary deposition, adhesion between cluster and substrate, and degree of epitaxial growth were proposed to evaluate the property of thin film. As the case study, three different cluster sizes of 203, 653, 1563 atoms with different velocities (0, 10, 100, 1000, 3000m/s) were deposited on a Cu (001) substrate whose temperatures were set between 300 and 1000K. The results indicated that the property of thin film could be controlled if the effect of situations of process was made clear.
社団法人日本機械学会の論文
2005-09-18