Numerical simulation of photoexcited polaron states in water

Journal Article · Wed Oct 28 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4934343· OSTI ID:22492621

Volokhova, A. V.; Amirkhanov, I. V.; Puzynin, I. V.; Puzynina, T. P.; Rikhvitskiy, V. S. ^[1]; Lakhno, V. D. ^[2]; Atanasova, P. Kh. ^[3]

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1. Laboratory of Information Technologies, Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation)
2. Institute of Mathematical Problems of Biology, Russian Academy of Science, Pushchino 142290 (Russian Federation)
3. Faculty of Mathematics and Informatics, Paisii Hilendarski University of Plovdiv 4003 (Bulgaria)

We consider the dynamic polaron model of the hydrated electron state on the basis of a system of three nonlinear partial differential equations with appropriate initial and boundary conditions. A parallel numerical algorithm for the numerical solution of this system has been developed. Its effectiveness has been tested on a few multi-processor systems. A numerical simulation of the polaron states formation in water under the action of the ultraviolet range laser irradiation has been performed. The numerical results are shown to be in a reasonable agreement with experimental data and theoretical predictions.

• OSTI ID: 22492621
• Journal Information: AIP Conference Proceedings, Vol. 1684, Issue 1; Conference: AMiTaNS'15: 7. international conference for promoting the application of mathematics in technical and natural sciences, Albena (Bulgaria), 28 Jun - 3 Jul 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ALGORITHMS
BOUNDARY CONDITIONS
COMPUTERIZED SIMULATION
FORECASTING
HYDRATION
LASER RADIATION
NONLINEAR PROBLEMS
NUMERICAL SOLUTION
PARTIAL DIFFERENTIAL EQUATIONS
SOLVATED ELECTRONS
ULTRAVIOLET RADIATION
WATER