Numerical simulation of photoexcited polaron states in water

Numerical simulation of photoexcited polaron states in water

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 effective...

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Bibliographische Detailangaben
Hauptverfasser: Zemlyanaya, E. V., Volokhova, A. V., Amirkhanov, I. V., Puzynin, I. V., Puzynina, T. P., Rikhvitskiy, V. S., Lakhno, V. D., Atanasova, P. Kh
Format: Tagungsbericht
Sprache:eng
Schlagworte:
ALGORITHMS
BOUNDARY CONDITIONS
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Computer simulation
COMPUTERIZED SIMULATION
FORECASTING
HYDRATION
LASER RADIATION
Mathematical models
Microprocessors
Nonlinear differential equations
Nonlinear equations
NONLINEAR PROBLEMS
Numerical analysis
NUMERICAL SOLUTION
PARTIAL DIFFERENTIAL EQUATIONS
Polarons
SOLVATED ELECTRONS
System effectiveness
ULTRAVIOLET RADIATION
WATER
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Beschreibung
Zusammenfassung: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.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.4934343