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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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Autores principales: Kang, Dongdong, Sun, Huayang, Dai, Jiayu, Chen, Wenbo, Zhao, Zengxiu, Hou, Yong, Zeng, Jiaolong, Yuan, Jianmin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4073183/
https://www.ncbi.nlm.nih.gov/pubmed/24968754
http://dx.doi.org/10.1038/srep05484
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author Kang, Dongdong
Sun, Huayang
Dai, Jiayu
Chen, Wenbo
Zhao, Zengxiu
Hou, Yong
Zeng, Jiaolong
Yuan, Jianmin
author_facet Kang, Dongdong
Sun, Huayang
Dai, Jiayu
Chen, Wenbo
Zhao, Zengxiu
Hou, Yong
Zeng, Jiaolong
Yuan, Jianmin
author_sort Kang, Dongdong
collection PubMed
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/cm(3), 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.
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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 Sci Rep 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/cm(3), 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/
spellingShingle Article
Kang, Dongdong
Sun, Huayang
Dai, Jiayu
Chen, Wenbo
Zhao, Zengxiu
Hou, Yong
Zeng, Jiaolong
Yuan, Jianmin
Nuclear quantum dynamics in dense hydrogen
title 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_short Nuclear quantum dynamics in dense hydrogen
title_sort nuclear quantum dynamics in dense hydrogen
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4073183/
https://www.ncbi.nlm.nih.gov/pubmed/24968754
http://dx.doi.org/10.1038/srep05484
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