Coppens François, Ancilotto Francesco, Barranco Manuel, Halberstadt Nadine, Pi Martí
Université de Toulouse, UPS, Laboratoire Collisions Agrégats Réactivité, IRSAMC, F-31062 Toulouse, France.
Dipartimento di Fisica e Astronomia 'Galileo Galilei' and CNISM, Università di Padova, via Marzolo 8, 35122 Padova, Italy and CNR-IOM Democritos, via Bonomea 265, 34136 Trieste, Italy.
Phys Chem Chem Phys. 2017 Sep 20;19(36):24805-24818. doi: 10.1039/c7cp03307a.
We present a computational study, based on time-dependent Density Functional theory, of the real-time interaction and trapping of Ar and Xe atoms in superfluid He nanodroplets either pure or hosting quantized vortex lines. We investigate the phase-space trajectories of the impurities for different initial conditions and describe in detail the complex dynamics of the droplets during the capture of the impurities. We show that the interaction of the incoming atom with the vortex core induces large bending and twisting excitations of the vortex core lines, including the generation of helical Kelvin waves propagating along the vortex core. We have also calculated the stationary configurations of a He droplet hosting a 6-vortex array whose cores are filled with Ar atoms. As observed in recent experiments, we find that doping adds substantial rigidity to the system, such that the doped vortex array remains stable, even at low values of the angular velocities where the undoped vortices would otherwise be pushed towards the droplet surface and be expelled.
我们基于含时密度泛函理论进行了一项计算研究,研究了纯超流氦纳米液滴或含有量子化涡旋线的超流氦纳米液滴中氩原子和氙原子的实时相互作用与捕获。我们研究了不同初始条件下杂质的相空间轨迹,并详细描述了液滴在捕获杂质过程中的复杂动力学。我们表明,入射原子与涡旋核的相互作用会引起涡旋核线的大幅弯曲和扭曲激发,包括沿涡旋核传播的螺旋开尔文波的产生。我们还计算了一个含有6涡旋阵列且涡旋核填充有氩原子的氦液滴的稳定构型。正如最近实验中所观察到的,我们发现掺杂为系统增加了显著的刚性,使得掺杂的涡旋阵列保持稳定,即使在角速度较低时,未掺杂的涡旋会被推向液滴表面并被排出。