Isotope quantum effects in the metallization transition in liquid hydrogen

• URL: http://arxiv.org/abs/2009.05491v2
• Date: Wed, 12 May 2021 06:18:21 GMT
• Title: Isotope quantum effects in the metallization transition in liquid hydrogen
• Authors: Sebastiaan van de Bund, Heather Wiebe, Graeme J. Ackland
• Abstract summary: We show a large quantum effect in high-pressure liquid hydrogen at thousands of Kelvins. We show that the metallization transition in hydrogen is subject to a very large effect, occurring hundreds of degrees lower than the equivalent transition in deuterium.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Quantum effects in condensed matter normally only occur at low temperatures. Here we show a large quantum effect in high-pressure liquid hydrogen at thousands of Kelvins. We show that the metallization transition in hydrogen is subject to a very large isotope effect, occurring hundreds of degrees lower than the equivalent transition in deuterium. We examined this using path integral molecular dynamics simulations which identify a liquid-liquid transition involving atomization, metallization, and changes in viscosity, specific heat and compressibility. The difference between H$_2$ and D$_2$ is a quantum mechanical effect which can be associated with the larger zero-point energy in H$_2$ weakening the covalent bond. Our results mean that experimental results on deuterium must be corrected before they are relevant to understanding hydrogen at planetary conditions.

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