Chemical Physics Letters, Vol.657, 102-106, 2016
Ab initio spur size calculation in liquid water at room temperature
An attempt was made to calculate the spur size in liquid water at room temperature from fundamental interactions. Electron trapping, elastic scattering, and positive-ion back attraction undergone in subexcitation and sub-vibrational stages in the 100 fs time scale for thermalization were considered and included in the model. Overall diffusional broadening was estimated to be 41.2 angstrom, attended by the positive-ion pull back of 24.0 angstrom, resulting in a calculated spur size of 17.2 angstrom. Electron trapping is seen in competition with thermalization in the ultimate stage, which results in the trapped electron position distribution as a sum of Gaussians. (C) 2016 Elsevier B. V. All rights reserved.