CAJ | 학술논문

主要研究了利用分子动力学方法(MD)模拟等离子体与材料表面相互作用过程时分子动力学方法的参数对模拟结果的影响.详细分析了Berendsen热浴的应用时间、耦合强度和模拟时间量(单个轨迹的作用时间、弛豫时间)对模拟结果的影响,结果表明,热浴的应用时间对模拟结果的影响很大,而其它参数对模拟结果没有太大的影响.
주요연구료이용분자동역학방법(MD)모의등리자체여재료표면상호작용과정시분자동역학방법적삼수대모의결과적영향.상세분석료Berendsen열욕적응용시간、우합강도화모의시간량(단개궤적적작용시간、이예시간)대모의결과적영향,결과표명,열욕적응용시간대모의결과적영향흔대,이기타삼수대모의결과몰유태대적영향.
The purpose of this paper is to investigate the effects of parameters on molecular dynamics method.The effects of the application time of heat bath, coupling strength and simulation time-scale(integration time, relaxation time) on the etching are shown. The simulation results show that the heat-bath application time have the significantly effect on the etching. The other parameters relevant to the MD method have no slight influence on the etching.