Revealing the Complex Transport Behaviors in Warm Dense Hydrogen by Including Nuclear Quantum Effects

@article{Kang2013RevealingTC,
  title={Revealing the Complex Transport Behaviors in Warm Dense Hydrogen by Including Nuclear Quantum Effects},
  author={Dongdong Kang and Huayang Sun and Jiayu Dai and Zengxiu Zhao and Yong Hou and Jiaolong Zeng and Jianmin Yuan},
  journal={arXiv: Materials Science},
  year={2013}
}
Nuclear quantum effects (NQEs) on the structures and transport properties of dense liquid hydrogen at densities of 10-100 g/cm3 and temperatures of 0.1-1 eV are fully assessed using \textit{ab initio} path-integral molecular dynamics simulations. With the inclusion of NQEs, ionic diffusions are strongly enhanced by the magnitude from 100% to 15% with increasing temperature, while electrical conductivities are significantly suppressed. The analyses of ionic structures and zero-point energy show… 
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