Abstract
As a result of a large amount of computational experiments on a number of supercomputer resources quantum-chemical and molecular dynamic modeling of various nanocomposite components of Li-ion power sources was performed. Various aspects of transport, structural and energy processes inside LPS during numerous cycles of charging and discharge were simulated. By tools of molecular dynamics estimated influence of various external conditions on structure of nanocomposites and characteristics of above-stated processes.
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References
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Acknowledgement
The activity is part of the work «Creation of an effective environment of computer modeling of quantum-chemical processes and nanostructures on the basis of a program complex of newest computing services and high-level web- and grid-interfaces to them», supported by the Russian Foundation of Basic Research (project no. 15-07-07867-a)
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Volokhov, V.M., Varlamov, D.A., Zyubina, T.S., Zyubin, A.S., Volokhov, A.V., Amosova, E.S. (2017). The Supercomputer Simulation of Nanocomposite Components and Transport Processes in the Li-ion Power Sources of New Types. In: Voevodin, V., Sobolev, S. (eds) Supercomputing. RuSCDays 2017. Communications in Computer and Information Science, vol 793. Springer, Cham. https://doi.org/10.1007/978-3-319-71255-0_24
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DOI: https://doi.org/10.1007/978-3-319-71255-0_24
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