酸素分子の銀表面衝突過程における反応確率と表面エネルギ伝達に関する研究 : 第2報,表面付着分子種と表面温度の影響(熱工学,内燃機関,動力など)

概要

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In order to investigate effects of adherent molecular characteristics and surface temperature on reaction probability and energy transfer to metallic surfaces, we carried out a classical molecular dynamics simulation by using LEPS potential energy surface between an oxygen molecule and a Ag surface. The surface reaction probability of oxygen molecules much depends on the characteristics of adherent molecules as well as the surface temperature. With the increase of adhesion strengh and mass of adherent molecules, both surface reaction probability and the average energy transfer to the surface in reflection cases decrease substantially. The relationship between surface reaction probability and surface temperature is much dependent on the characteristics of adherent molecules. When adhesion energy and mass of adherent molecules are small, the surface reaction probability increases with the increase of surface temperature.
一般社団法人日本機械学会の論文
2003-11-25