First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen | |
Li, Zi ; Zhang, Shen ; Wang, Cong ; Kang, Wei ; Zhang, Ping | |
刊名 | PHYSICS OF PLASMAS
![]() |
2016 | |
关键词 | FLUID NITROGEN POLYMERIC NITROGEN MOLECULAR-DYNAMICS LIQUID-NITROGEN SPECTROSCOPY TEMPERATURE PRESSURE PHASE GPA |
DOI | 10.1063/1.4951022 |
英文摘要 | X-ray absorption spectrum is a powerful tool for atomic structure detection on warm dense matter. Here, we perform first-principles molecular dynamics and X-ray absorption spectrum calculations on warm dense nitrogen along a Hugoniot curve. From the molecular dynamics trajectory, the detailed atomic structures are examined for each thermodynamical condition. The K-shell X-ray absorption spectrum is calculated, and its changes with temperature and pressure along the Hugoniot curve are discussed. The warm dense nitrogen systems may contain isolated nitrogen atoms, N-2 molecules, and nitrogen clusters, which show quite different contributions to the total X-ray spectrum due to their different electron density of states. The changes of X-ray spectrum along the Hugoniot curve are caused by the different nitrogen structures induced by the temperature and the pressure. Some clear signatures on X-ray spectrum for different thermodynamical conditions are pointed out, which may provide useful data for future X-ray experiments. Published by AIP Publishing.; National Natural Science Foundation of China (NSFC) [11504025, 11275032, 11274019, 11475031]; NSFC-NSAF Foundation [U1530258, U1530113]; Foundation of President of Chinese Academy of Engineering Physics [2014-1-036]; SCI(E); EI; ARTICLE; zhang_ping@iapcm.ac.cn; 5; 23 |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://ir.pku.edu.cn/handle/20.500.11897/437309] ![]() |
专题 | 工学院 |
推荐引用方式 GB/T 7714 | Li, Zi,Zhang, Shen,Wang, Cong,et al. First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen[J]. PHYSICS OF PLASMAS,2016. |
APA | Li, Zi,Zhang, Shen,Wang, Cong,Kang, Wei,&Zhang, Ping.(2016).First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen.PHYSICS OF PLASMAS. |
MLA | Li, Zi,et al."First-principles calculations of K-shell X-ray absorption spectra for warm dense nitrogen".PHYSICS OF PLASMAS (2016). |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论