Formation of argon cluster with proton seeding
Formation of argon cluster with proton seeding
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DOI：
10.1080/00268976.2020.1767813
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发表时间：
2020-06
影响因子：
1.7
通讯作者：
O. C. Brown;D. Vrinceanu;V. Kharchenko;H. Sadeghpour
中科院分区：
文献类型：
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作者：
O. C. Brown;D. Vrinceanu;V. Kharchenko;H. Sadeghpour
摘要：我们采用力场分子动力学模拟来研究在带有离子种子的致密粒子气体中成核到新液相或固相的动力学。我们在氩原子和质子之间使用精确的原子对相互作用，并具有物理上正确的长程行为。分析了不同质子浓度、温度和氩气密度下分子簇形成的时间依赖性。识别并分析了氩气质子注入所改变的相变。气体的播种增强了纳米级原子簇的形成及其聚集。质子和浴气体原子之间的强大吸引力稳定了大的纳米团簇和蒸发的临界温度。提出了一种分析模型来描述氩-质子液滴的稳定性，并与分子动力学模拟进行了比较。图解摘要
ABSTRACT 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 behaviour, between argon atoms and protons. Time dependence of molecular cluster formation is analysed at different proton concentration, temperature and argon gas density. The modified phase transitions with proton seeding of the argon gas are identified and analysed. 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 stabilises 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. GRAPHICAL ABSTRACT