Spectral analysis of non-equilibrium molecular dynamics

By Tianli Feng, Yang Zhong, Divya Chalise, Xiulin Ruan

Extract the phonon modal temperature and heat flux from non-equilibrium molecular dynamics

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Version 1.0 - published on 01 Dec 2017

doi:10.4231/D3VH5CM12 cite this

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Location of all "Spectral analysis of non-equilibrium molecular dynamics" Users Since Its Posting

Cumulative Simulation Users

83

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Users By Organization Type
Type Users
Unidentified 75 (90.36%)
Educational - University 6 (7.23%)
Government Agency 1 (1.2%)
National Lab 1 (1.2%)
Users by Country of Residence
Country Users
us UNITED STATES 3 (37.5%)
cr COSTA RICA 1 (12.5%)
hk HONG KONG 1 (12.5%)
cn CHINA 1 (12.5%)
fr FRANCE 1 (12.5%)
kr KOREA, REPUBLIC OF 1 (12.5%)

Simulation Runs

403

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Wall Clock Time 1.84 days 306.54 days
CPU time 22.37 hours 155.69 days
Interaction Time 4.28 hours 29.81 days