QDB：一个等离子体化学与反应的新数据库

Jonathan Tennyson; Sara Rahimi; Christian Hill; Lisa Tse; Anuradha Vibhakar; Dolica Akello-Egwel; Daniel B. Brown; Anna Dzarasova; James R. Hamilton; Dagmar Jaksch; Sebastian Mohr; Keir Wren-Little; Johannes Bruckmeier; Ankur Agarwal; Klaus Bartschat; Annemie Bogaerts; Jean-Paul Booth; Matthew J. Goeckner; Khaled Hassouni; Yukikazu Itikawa; Bastiaan J Braams; E. Krishnakumar; Annarita Laricchiuta; Nigel J. Mason; Sumeet Pandey; Zoran Lj. Petrovic; Yi-Kang Pu; Alok Ranjan; Shahid Rauf; Julian Schulze; Miles M. Turner; Peter Ventzek; J. Christopher Whitehead; Jung-Sik Yoon

doi:10.1088/1361-6595/aa6669

QDB：一个等离子体化学与反应的新数据库

等离子体物理 2017-04-14 v1

作者: Jonathan Tennyson , Sara Rahimi , Christian Hill , Lisa Tse , Anuradha Vibhakar , Dolica Akello-Egwel , Daniel B. Brown , Anna Dzarasova , James R. Hamilton , Dagmar Jaksch , Sebastian Mohr , Keir Wren-Little , Johannes Bruckmeier , Ankur Agarwal , Klaus Bartschat , Annemie Bogaerts , Jean-Paul Booth , Matthew J. Goeckner , Khaled Hassouni , Yukikazu Itikawa , Bastiaan J Braams , E. Krishnakumar , Annarita Laricchiuta , Nigel J. Mason , Sumeet Pandey , Zoran Lj. Petrovic , Yi-Kang Pu , Alok Ranjan , Shahid Rauf , Julian Schulze , Miles M. Turner , Peter Ventzek , J. Christopher Whitehead , Jung-Sik Yoon

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摘要

在对等离子体进行建模时，最具挑战且反复出现的问题之一是缺乏驱动等离子体过程的关键原子和分子反应的数据。即便某些反应有数据，完整且经过验证的化学数据集也很少可用。这阻碍了等离子体过程的研究并限制了工业应用的发展。QDB项目旨在通过提供一个用于化学数据集提供、交换和验证的平台来解决此问题。本文提出了为QDB开发的新数据模型。QDB整理已发表的关于电子散射和重粒子反应的数据。这些数据被形成反应集，然后在可能时针对实验数据进行验证。此过程产生完整的化学集并识别出当前文献中未报道的关键反应。数据集中的空白可使用已建立的理论方法填补。作为示例，给出了针对SF $_6$ /CF $_4$ /O $_2$ 和SF $_6$ /CF $_4$ /N $_2$ /H $_2$ 的初步验证化学集。

关键词

等离子体化学反应数据库 QDB 电子散射重粒子反应验证数据模型

引用

@article{arxiv.1704.04088,
  title  = {QDB: a new database of plasma chemistries and reactions},
  author = {Jonathan Tennyson and Sara Rahimi and Christian Hill and Lisa Tse and Anuradha Vibhakar and Dolica Akello-Egwel and Daniel B. Brown and Anna Dzarasova and James R. Hamilton and Dagmar Jaksch and Sebastian Mohr and Keir Wren-Little and Johannes Bruckmeier and Ankur Agarwal and Klaus Bartschat and Annemie Bogaerts and Jean-Paul Booth and Matthew J. Goeckner and Khaled Hassouni and Yukikazu Itikawa and Bastiaan J Braams and E. Krishnakumar and Annarita Laricchiuta and Nigel J. Mason and Sumeet Pandey and Zoran Lj. Petrovic and Yi-Kang Pu and Alok Ranjan and Shahid Rauf and Julian Schulze and Miles M. Turner and Peter Ventzek and J. Christopher Whitehead and Jung-Sik Yoon},
  journal= {arXiv preprint arXiv:1704.04088},
  year   = {2017}
}

备注

30 pages, 7 figures, 10 tables

QDB：一个等离子体化学与反应的新数据库

摘要

关键词

引用

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