jz0c00801_si_001.pdf (3.34 MB)

Decelerated Liquid Dynamics Induced by Component-Dependent Supercooling in Hydrogen and Deuterium Quantum Mixtures

Download (3.34 MB)
journal contribution
posted on 11.05.2020 by Shutaro Yamaoka, Kim Hyeon-Deuk
Isotopic mixtures of p-H2 and o-D2 molecules have been an attractive binary system because they include two kinds of purely isotopic molecules which possess the same electronic potential but the twice different mass inducing differently pronounced nuclear quantum effects (NQEs). Accessing details of structures and dynamics in such quantum mixtures combining complex molecular dynamics with NQEs of different strengths remains a challenging problem. Taking advantage of the nonempirical molecular dynamics method which describes p-H2 and o-D2 molecules, we found that the liquid dynamics slows down at a specific mixing ratio, which can be connected to the observed anomalous slowdown of crystallization in the quantum mixtures. We attributed the decelerated dynamics to the component-dependent supercooling of p-H2 taking place in the mixtures, demonstrating that there is an optimal mixing ratio to hinder crystallization. The obtained physical insights will help in experimentally controlling and achieving unknown quantum mixtures including superfluid.