Reaction mechanism of D+ND→N+D2 and its state-to-state quantum dynamics

doi:10.1088/1674-1056/28/2/023102

中国物理B ›› 2019, Vol. 28 ›› Issue (2): 23102-023102.doi: 10.1088/1674-1056/28/2/023102

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇下一篇

Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics

Ting Xu(许婷), Juan Zhao(赵娟), Xian-Long Wang(王宪龙), Qing-Tian Meng(孟庆田)

1 School of Physics and Electronics, Shandong Normal University, Jinan 250358, China;
2 College of Science, Shandong Jiaotong University, Jinan 250357, China

收稿日期:2018-10-19 修回日期:2018-12-03 出版日期:2019-02-05 发布日期:2019-02-05
通讯作者: Qing-Tian Meng E-mail:qtmeng@sdnu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11674198 and 11504206), the Natural Science Foundation of Shandong Province, China (Grant No. ZR2016AP14), and the Taishan Scholar Project of Shandong Province, China.

Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics

Ting Xu(许婷)¹, Juan Zhao(赵娟)², Xian-Long Wang(王宪龙)¹, Qing-Tian Meng(孟庆田)¹

1 School of Physics and Electronics, Shandong Normal University, Jinan 250358, China;
2 College of Science, Shandong Jiaotong University, Jinan 250357, China

Received:2018-10-19 Revised:2018-12-03 Online:2019-02-05 Published:2019-02-05
Contact: Qing-Tian Meng E-mail:qtmeng@sdnu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11674198 and 11504206), the Natural Science Foundation of Shandong Province, China (Grant No. ZR2016AP14), and the Taishan Scholar Project of Shandong Province, China.

摘要/Abstract

摘要：

The quantum state-to-state calculations of the D+ND→N+D₂ reaction are performed on a potential energy surface of ⁴A" state. The state-resolved integral and differential cross sections and product state distributions are calculated and discussed. It is found that the rotational distribution, rather than the vibrational distribution, of the product has an obvious inversion. Due to the fact that it is a small-impact-parameter collision, its product D₂ is mainly dominated by rebound mechanism, which can lead to backward scattering at low collision energy. As the collision energy increases, the forward scattering and sideward scattering begin to appear. In addition, the backward collision is also found to happen at high collision energy, through which we can know that both the rebound mechanism and stripping mechanism exist at high collision energy.

关键词: state-to-state quantum dynamics, time-dependent wave packet, D+ND, differential cross section

Abstract:

Key words: state-to-state quantum dynamics, time-dependent wave packet, D+ND, differential cross section

中图分类号: (Molecular dynamics and other numerical methods)

31.15.xv

34.50.-s (Scattering of atoms and molecules) 03.67.Lx (Quantum computation architectures and implementations)

许婷, 赵娟, 王宪龙, 孟庆田. Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics[J]. 中国物理B, 2019, 28(2): 23102-023102.

Ting Xu(许婷), Juan Zhao(赵娟), Xian-Long Wang(王宪龙), Qing-Tian Meng(孟庆田). Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics[J]. Chin. Phys. B, 2019, 28(2): 23102-023102.

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Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics

Reaction mechanism of D+ND→N+D₂ and its state-to-state quantum dynamics

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