A novel sp^3-bonded nanosize domain, known as a diaphite which is an intermediate state between a graphite and a diamond, is generated by the irradiation of visible laser pulse onto a graphite crystal. The sp^3 structure is well stabilized by shear displacement between neighboring graphite layers. We theoretically study the interlayer sp^3 bond formation with frozen shear displacement in a graphite crystal, using a classical molecular dynamics and a semi-empirical Brenner potential. We show that a pulse excitation under the fluctuation of shearing motion of carbons in an initial state can generate interlayer sp^3 bonds which freeze the shear, though no frozen shear appears if there is no fluctuation initially. Moreover, we investigate a pulse excitation under the coherent shearing motion and consequently obtain that the sp^3-bonded domain with frozen shear is efficiently formed. We conclude that the initial shear is important for the photoinduced sp^3 nanosize domain formation.
Estimation of the output energy of concentrator photovoltaic system is difficult, because the output energy of concentrator photovoltaic system installed outdoors is influenced by various environmental factors. A new method to estimate the output energy is proposed using a contour map of environmental factors. The contour map of estimated output energy was quite similar to that of experimentally-measured output energy. The error ratio of the estimated output energy to the actual output energy was only - 0.14%. The result indicates that this method is useful to estimate the output energy of CPV systems.
Recent experiments indicate that a photostimulated graphite with a femtosecond laser pulse results in the formation of a stable domain with sp^3 like interlayer bonds. By means of the energy barrier minimization and molecular dynamics using the empirical Brenner potential we study a geometrical structure of the new phase. We clarify proliferation of the initial domain and prove that the overall process is a multiphoton one. Furthermore, we present a model describing the initial transformation - an interlayer charge transfer resulting in the localization of an exciton-like state. The local density approximation electronic structure analysis reveals that the electronic state of the new phase is an insulator immersed in semimetal. We study by means of the long-range carbon bond order potential the effect of the existence of the new phase on the surrounding graphite and propose a new mid step structure on the path of a photoinduced graphite-diamond conversion.
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