冲击压缩氯化聚对二甲苯的k边结构

IF 1.7 Q3 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL Atoms Pub Date : 2023-10-18 DOI:10.3390/atoms11100135
David Bailie, Steven White, Rachael Irwin, Cormac Hyland, Richard Warwick, Brendan Kettle, Nicole Breslin, Simon N. Bland, David J. Chapman, Stuart P. D. Mangles, Rory A. Baggot, Eleanor R. Tubman, David Riley
{"title":"冲击压缩氯化聚对二甲苯的k边结构","authors":"David Bailie, Steven White, Rachael Irwin, Cormac Hyland, Richard Warwick, Brendan Kettle, Nicole Breslin, Simon N. Bland, David J. Chapman, Stuart P. D. Mangles, Rory A. Baggot, Eleanor R. Tubman, David Riley","doi":"10.3390/atoms11100135","DOIUrl":null,"url":null,"abstract":"We have carried out a series of experiments to measure the Cl K-absorption edge for shock-compressed samples of chlorinated parylene. Colliding shocks allowed us to compress samples up to four times the initial density with temperatures up to 10 eV. Red shifts in the edge of about 10 eV have been measured. We have compared the measured shifts to analytical modelling using the Stewart–Pyatt model and adaptions of it, combined with estimates of density and temperature based on hydrodynamic modelling. Modelling of the edge position using density functional theory molecular dynamics (DFT-MD) was also used and it was found that good agreement was only achieved when the DFT simulations assumed conditions of lower temperature and slightly higher density than indicated by hydrodynamic simulations using a tabular equation of state.","PeriodicalId":8629,"journal":{"name":"Atoms","volume":"26 1","pages":"0"},"PeriodicalIF":1.7000,"publicationDate":"2023-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"K-Edge Structure in Shock-Compressed Chlorinated Parylene\",\"authors\":\"David Bailie, Steven White, Rachael Irwin, Cormac Hyland, Richard Warwick, Brendan Kettle, Nicole Breslin, Simon N. Bland, David J. Chapman, Stuart P. D. Mangles, Rory A. Baggot, Eleanor R. Tubman, David Riley\",\"doi\":\"10.3390/atoms11100135\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We have carried out a series of experiments to measure the Cl K-absorption edge for shock-compressed samples of chlorinated parylene. Colliding shocks allowed us to compress samples up to four times the initial density with temperatures up to 10 eV. Red shifts in the edge of about 10 eV have been measured. We have compared the measured shifts to analytical modelling using the Stewart–Pyatt model and adaptions of it, combined with estimates of density and temperature based on hydrodynamic modelling. Modelling of the edge position using density functional theory molecular dynamics (DFT-MD) was also used and it was found that good agreement was only achieved when the DFT simulations assumed conditions of lower temperature and slightly higher density than indicated by hydrodynamic simulations using a tabular equation of state.\",\"PeriodicalId\":8629,\"journal\":{\"name\":\"Atoms\",\"volume\":\"26 1\",\"pages\":\"0\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2023-10-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Atoms\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.3390/atoms11100135\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Atoms","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.3390/atoms11100135","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
引用次数: 0

摘要

我们进行了一系列的实验来测量氯化聚对二甲苯的冲击压缩样品的Cl - k吸收边。碰撞冲击使我们能够在高达10 eV的温度下将样品压缩到初始密度的四倍。在大约10 eV的边缘测量了红移。我们将测量到的位移与使用Stewart-Pyatt模型及其改编的分析模型进行了比较,并结合了基于流体动力学模型的密度和温度估计。利用密度泛函理论分子动力学(DFT- md)对边缘位置进行了建模,发现只有在DFT模拟假设温度较低、密度稍高的条件下,才比使用表格状态方程的流体动力学模拟所表明的条件下,才能获得良好的一致性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
K-Edge Structure in Shock-Compressed Chlorinated Parylene
We have carried out a series of experiments to measure the Cl K-absorption edge for shock-compressed samples of chlorinated parylene. Colliding shocks allowed us to compress samples up to four times the initial density with temperatures up to 10 eV. Red shifts in the edge of about 10 eV have been measured. We have compared the measured shifts to analytical modelling using the Stewart–Pyatt model and adaptions of it, combined with estimates of density and temperature based on hydrodynamic modelling. Modelling of the edge position using density functional theory molecular dynamics (DFT-MD) was also used and it was found that good agreement was only achieved when the DFT simulations assumed conditions of lower temperature and slightly higher density than indicated by hydrodynamic simulations using a tabular equation of state.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Atoms
Atoms Physics and Astronomy-Nuclear and High Energy Physics
CiteScore
2.70
自引率
22.20%
发文量
128
审稿时长
8 weeks
期刊介绍: Atoms (ISSN 2218-2004) is an international and cross-disciplinary scholarly journal of scientific studies related to all aspects of the atom. It publishes reviews, regular research papers, and communications; there is no restriction on the length of the papers. Our aim is to encourage scientists to publish their experimental and theoretical research in as much detail as possible. Full experimental and/or methodical details must be provided for research articles. There are, in addition, unique features of this journal: -manuscripts regarding research proposals and research ideas will be particularly welcomed. -computed data, program listings, and files regarding the full details of the experimental procedure, if unable to be published in a normal way, can be deposited as supplementary material. Scopes: -experimental and theoretical atomic, molecular, and nuclear physics, chemical physics -the study of atoms, molecules, nuclei and their interactions and constituents (protons, neutrons, and electrons) -quantum theory, applications and foundations -microparticles, clusters -exotic systems (muons, quarks, anti-matter) -atomic, molecular, and nuclear spectroscopy and collisions -nuclear energy (fusion and fission), radioactive decay -nuclear magnetic resonance (NMR) and electron spin resonance (ESR), hyperfine interactions -orbitals, valence and bonding behavior -atomic and molecular properties (energy levels, radiative properties, magnetic moments, collisional data) and photon interactions
期刊最新文献
A Study of the Atomic Processes of Highly Charged Ions Embedded in Dense Plasma Reactions of CH2OO, CH3CHOO, and (CH3)2COO with Methane through the Formation of Intermediate Complex Photon and Particle Impact Spectroscopy and Dynamics of Atoms, Molecules and Clusters On Rayleigh–Taylor Dynamics Modeling Femtosecond Reduction of Atomic Scattering Factors in X-ray-Excited Silicon with Boltzmann Kinetic Equations
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1