Parallel computing method for solving rate theoretical equation based on exponential time difference format
Patent Information
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- CHINA INSTITUTE OF ATOMIC ENERGY
- Publication Date
- 2020-01-07
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Abstract
Description
technical field
[0001] The invention relates to computer physics simulation, in particular to a parallel computing method for solving rate theory equations based on an exponential time difference format. Background technique
[0002] The exponential time-difference scheme retains the exponential integration operation, and the different treatment methods for the integration of the integral factor term and the nonlinear term of the objective equation over time. Exponential Time Difference uses polynomial interpolation to approximate nonlinear terms in the equation, and then performs exact integration on the resulting new integral terms.
[0003] The reaction rate theory is based on the mesoscopic simulation of the mean field, and cannot carry out the atomic scale simulation, but needs the corresponding parameters provided by the atomic scale simulation. At low spatio-temporal scales, the rate theory ignores the spatial correlation and is difficult to simulate accurately. Ther...