Theoretical Studies of Gas-Surface Diffusion Dynamics

• 영문명: Theoretical Studies of Gas-Surface Diffusion Dynamics
• 발행기관: 강원대학교 기초과학연구소
• 저자명: Chun Gyo Chung Seung Chul Park Chang Hwan Rhee
• 간행물 정보: 『기초과학연구』제6집, 74~81쪽, 전체 8쪽
• 주제분류: 자연과학 > 자연과학일반
• 파일형태: PDF
• 발행일자: 1989.12.01

영문 초록

We present theoretical studies of gas-surface diffusion dynamics. Model Ar-LiF (001) system is employed to investigate diffusion behavior of gas-surface system. Monte-Carlo sampling and classical trajectory methods are employed to calculate diffusion constants for the temperature range 50 K to 250 K. For a given temperature, 1000 trajectories are calculated. We have computed diffusion constants and the activation energy by Einstein's mean square displacement relationship and GreenKudo's the equation of velocity autocorrelation function. We find that the calculated diffusion constants exhibit Arrhenjus behavior with respect to temperature. In our study, we discussed the theory and results of diffusion dynamics on Ar- LiF (001) interaction system.

목차

ABSTRACT

Ⅰ. INTRODUTION

Ⅱ. THEORY

Ⅲ. INTERACTION POTENTAL

Ⅳ. CALAULATOONS

Ⅴ. RSSULTS AND DISCUSSION

REFERENCES