质子注入氩团簇的形成
Formation of Argon Cluster with Proton Seeding
摘要:
我们采用力场分子动力学模拟来研究在稠密的气体粒子中成核成新的液相或固相的动力学。我们使用精确的原子对相互作用,与物理正确的长程行为,氩原子和质子之间。分析了不同质子浓度、温度和氩气密度下分子团簇形成的时间依赖性。改进的相变与质子播种的氩气进行了鉴定和分析。气体的播种增强了纳米尺寸原子团簇的形成及其聚集。质子和浴气原子之间的强吸引力稳定了大的纳米团簇和蒸发的临界温度。提出了一个描述氩-质子液滴稳定性的解析模型,并与分子动力学模拟进行了比较。
英文摘要:
We employ force-field molecular dynamics simulations to investigate the kinetics of nucleation to new liquid or solid phases in a dense gas of particles, seeded with ions. We use precise atomic pair interactions, with physically correct long-range behavior, between argon atoms and protons. Time-dependence of molecular cluster formation is analyzed at different proton concentration, temperature and argon gas density. The modified phase transitions with proton seeding of the argon gas are identified and analyzed. The seeding of the gas enhances the formation of nano-size atomic clusters and their aggregation. The strong attraction between protons and bath gas atoms stabilizes large nano-clusters and the critical temperature for evaporation. An analytical model is proposed to describe the stability of argon-proton droplets, and is compared with the molecular dynamics simulations.
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