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A new data structure for accelerating kinetic Monte Carlo method
Zheng, Xu-Li1,4; Quan, Dong-Hui1,2; Zhang, Hai-Long1; Li, Xiao-Hu1; Chang, Qiang1; Sipila, Olli3
2019-12-01
Source PublicationRESEARCH IN ASTRONOMY AND ASTROPHYSICS
ISSN1674-4527
Volume19Issue:12Pages:176
Contribution Rank1
AbstractThe kinetic Monte Carlo simulation is a rigorous numerical approach to study the chemistry on dust grains in cold dense interstellar clouds. By tracking every single reaction in chemical networks step by step, this approach produces more precise results than other approaches but takes too much computing time. Here we present a method of a new data structure, which is applicable to any physical conditions and chemical networks, to save computing time for the Monte Carlo algorithm. Using the improved structure, the calculating time is reduced by 80 percent compared with the linear structure when applied to the osu-2008 chemical network at 10 K. We investigate the effect of the encounter desorption in cold cores using the kinetic Monte Carlo model with an accelerating data structure. We found that the encounter desorption remarkably decreases the abundance of grain-surface H-2 but slightly influences the abundances of other species on the grain.
Keywordastrochemistry molecular processes methods: numerical ISM: molecules ISM: abundances
DOI10.1088/1674-4527/19/12/176
Indexed BySCI
Language英语
WOS KeywordDENSE INTERSTELLAR CLOUDS ; GAS-GRAIN CHEMISTRY ; MODELS ; SIMULATION ; MANTLES ; PHASE
Funding ProjectCAS Light of West China Program[2017-QNXZ-B] ; Heaven Lake Hundred-Talent Program of Xinjiang Uygur Autonomous Region of China ; National Natural Science Foundation of China[11673054 11873082] ; National Natural Science Foundation of China[U1531125] ; National Natural Science Foundation of China[11803080] ; National Natural Science Foundation of China[11503075] ; National Natural Science Foundation of China[11543002] ; National Natural Science Foundation of China[11673054] ; National Natural Science Foundation of China[11703075] ; National Key Basic Research Program of China (973 Program)[2015CB857100] ; National Key Basic Research and Development Program[2018YFA0404704] ; Youth Innovation Promotion Association CAS
WOS Research AreaAstronomy & Astrophysics
WOS SubjectAstronomy & Astrophysics
WOS IDWOS:000507468700008
PublisherNATL ASTRONOMICAL OBSERVATORIES, CHIN ACAD SCIENCES
Funding OrganizationCAS Light of West China Program ; Heaven Lake Hundred-Talent Program of Xinjiang Uygur Autonomous Region of China ; National Natural Science Foundation of China ; National Key Basic Research Program of China (973 Program) ; National Key Basic Research and Development Program ; Youth Innovation Promotion Association CAS
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Document Type期刊论文
Identifierhttp://ir.xao.ac.cn/handle/45760611-7/3325
Collection射电天文研究室_天体化学研究团组
Corresponding AuthorZheng, Xu-Li
Affiliation1.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China
2.Eastern Kentucky Univ, Dept Chem, Richmond, KY 40475 USA
3.Max Planck Inst Extraterr Phys MPE, Giessenbachstr 1, D-85748 Garching, Germany
4.Univ Chinese Acad Sci, Sch Astron & Space Sci, Beijing 100049, Peoples R China
First Author AffilicationXinjiang Astronomical Observatory, Chinese Academy of Sciences
Corresponding Author AffilicationXinjiang Astronomical Observatory, Chinese Academy of Sciences
Recommended Citation
GB/T 7714
Zheng, Xu-Li,Quan, Dong-Hui,Zhang, Hai-Long,et al. A new data structure for accelerating kinetic Monte Carlo method[J]. RESEARCH IN ASTRONOMY AND ASTROPHYSICS,2019,19(12):176.
APA Zheng, Xu-Li,Quan, Dong-Hui,Zhang, Hai-Long,Li, Xiao-Hu,Chang, Qiang,&Sipila, Olli.(2019).A new data structure for accelerating kinetic Monte Carlo method.RESEARCH IN ASTRONOMY AND ASTROPHYSICS,19(12),176.
MLA Zheng, Xu-Li,et al."A new data structure for accelerating kinetic Monte Carlo method".RESEARCH IN ASTRONOMY AND ASTROPHYSICS 19.12(2019):176.
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