Opening book details…
Can I read Tracking Explicit Chain Sequence in Kinetic Monte Carlo Simulations on EtoBox?
Tracking Explicit Chain Sequence in Kinetic Monte Carlo Simulations by Lin Wang; Linda J. Broadbelt is a Materials Science article available to read on EtoBox.
What is Tracking Explicit Chain Sequence in Kinetic Monte Carlo Simulations about?
## Abstract The execution of individual KMC events can become a major computational bottleneck in the simulation of sequences along chains using KMC because of complex data storage schemes required to record the sequence of each chain. The execution of a KMC event can be very time‐consuming because searching, moving, and modifying all the data detailing a chain to reflect the transformation as a result of a chemical reaction event can be computationally expensive. To address this issue, we developed a new data storage scheme for recording sequence, which can significantly improve calculation speed without affecting the information content of the calculations. By using the proposed data storage scheme, the computational time can be reduced significantly from 12 h to 4 min for our test reaction system. magnified image
Who reads Tracking Explicit Chain Sequence in Kinetic Monte Carlo Simulations?
It is typically read by researchers, students, and practitioners in Materials Science.
- Author
- Lin Wang; Linda J. Broadbelt
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 1022-1344)
- Published
- 2010
- Language
- EN
- Field
- Materials Science (Physical Sciences)