Nuclear quantum dynamics in dense hydrogen

Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-i...

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Main Authors:	Kang, Dongdong, Sun, Huayang, Dai, Jiayu, Chen, Wenbo, Zhao, Zengxiu, Hou, Yong, Zeng, Jiaolong, Yuan, Jianmin
Format:	Online
Language:	English
Published:	Nature Publishing Group 2014
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4073183/

id	pubmed-4073183
recordtype	oai_dc
spelling	pubmed-40731832014-06-30 Nuclear quantum dynamics in dense hydrogen Kang, Dongdong Sun, Huayang Dai, Jiayu Chen, Wenbo Zhao, Zengxiu Hou, Yong Zeng, Jiaolong Yuan, Jianmin Article Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-integral molecular dynamics simulations, we investigated the nuclear quantum dynamics regarding transport behaviors of dense hydrogen up to the temperatures of 1 eV. With the inclusion of nuclear quantum effects (NQEs), the ionic diffusions are largely higher than the classical treatment by the magnitude from 20% to 146% as the temperature is decreased from 1 eV to 0.3 eV at 10 g/cm3, meanwhile, electrical and thermal conductivities are significantly lowered. In particular, the ionic diffusion is found much larger than that without NQEs even when both the ionic distributions are the same at 1 eV. The significant quantum delocalization of ions introduces remarkably different scattering cross section between protons compared with classical particle treatments, which explains the large difference of transport properties induced by NQEs. The Stokes-Einstein relation, Wiedemann-Franz law, and isotope effects are re-examined, showing different behaviors in nuclear quantum dynamics. Nature Publishing Group 2014-06-27 /pmc/articles/PMC4073183/ /pubmed/24968754 http://dx.doi.org/10.1038/srep05484 Text en Copyright © 2014, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-nd/4.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivs 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-nd/4.0/
repository_type	Open Access Journal
institution_category	Foreign Institution
institution	US National Center for Biotechnology Information
building	NCBI PubMed
collection	Online Access
language	English
format	Online
author	Kang, Dongdong Sun, Huayang Dai, Jiayu Chen, Wenbo Zhao, Zengxiu Hou, Yong Zeng, Jiaolong Yuan, Jianmin
spellingShingle	Kang, Dongdong Sun, Huayang Dai, Jiayu Chen, Wenbo Zhao, Zengxiu Hou, Yong Zeng, Jiaolong Yuan, Jianmin Nuclear quantum dynamics in dense hydrogen
author_facet	Kang, Dongdong Sun, Huayang Dai, Jiayu Chen, Wenbo Zhao, Zengxiu Hou, Yong Zeng, Jiaolong Yuan, Jianmin
author_sort	Kang, Dongdong
title	Nuclear quantum dynamics in dense hydrogen
title_short	Nuclear quantum dynamics in dense hydrogen
title_full	Nuclear quantum dynamics in dense hydrogen
title_fullStr	Nuclear quantum dynamics in dense hydrogen
title_full_unstemmed	Nuclear quantum dynamics in dense hydrogen
title_sort	nuclear quantum dynamics in dense hydrogen
description	Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-integral molecular dynamics simulations, we investigated the nuclear quantum dynamics regarding transport behaviors of dense hydrogen up to the temperatures of 1 eV. With the inclusion of nuclear quantum effects (NQEs), the ionic diffusions are largely higher than the classical treatment by the magnitude from 20% to 146% as the temperature is decreased from 1 eV to 0.3 eV at 10 g/cm3, meanwhile, electrical and thermal conductivities are significantly lowered. In particular, the ionic diffusion is found much larger than that without NQEs even when both the ionic distributions are the same at 1 eV. The significant quantum delocalization of ions introduces remarkably different scattering cross section between protons compared with classical particle treatments, which explains the large difference of transport properties induced by NQEs. The Stokes-Einstein relation, Wiedemann-Franz law, and isotope effects are re-examined, showing different behaviors in nuclear quantum dynamics.
publisher	Nature Publishing Group
publishDate	2014
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4073183/
_version_	1612107058070421504

Nuclear quantum dynamics in dense hydrogen

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