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The structural evolution and dynamics of silver nanodrops Ag${}_{2896}$ (4.4 nm in diameter) during rapid cooling conditions has been studied by means of molecular dynamics simulations and electronic density of state calculations. The interaction of silver atoms is modeled by a tight-binding semiempirical interatomic potential proposed by Cleri and Rosato. The pair correlation functions and the pair analysis technique is applied to reveal the structural transition in the process of solidification. It is shown that Ag nanoparticles evolve into different nanostructures under different cooling processes. At a cooling rate of $1.5625times10^{13} Ks^{-1}$ the nanoparticles preserve an amorphous like structure containing a large amount of 1551 and 1541 pairs which correspond to the icosahedral symmetry. For a lower cooling rate ($1.5625times10^{12} Ks^{-1}$), the nanoparticles transform into a crystal-like structure consisting mainly of 1421 and 1422 pairs which correspond to the fcc and hcp structures, respectively. The variations of the electronic density of states for the differently cooled nanoparticles are small but in correspondence with the structural changes.
413 - M. Montoya , J. Rojas , I. Lobato 2008
The kinetic energy distribution as a function of mass of final fragments (m) from low energy fission of $^{234}U$, measured with the Lohengrin spectrometer by Belhafaf et al. presents a peak around m=108 and another around m = 122. The authors attrib ute the first peak to the evaporation of a large number of neutrons around the corresponding mass number; and the second peak to the distribution of the primary fragment kinetic energy. Nevertheless, the theoretical calculations related to primary distribution made by Faust et al. do not result in a peak around m = 122. In order to clarify this apparent controversy, we have made a numerical experiment in which the masses and the kinetic energy of final fragments are calculated, assuming an initial distribution of the kinetic energy without peaks on the standard deviation as function of fragment mass. As a result we obtain a pronounced peak on the standard deviation of the kinetic energy distribution around m = 109, a depletion from m = 121 to m = 129, and an small peak around m = 122, which is not as big as the measured by Belhafaf et al. Our simulation also reproduces the experimental results on the yield of the final mass, the average number of emitted neutrons as a function of the provisional mass (calculated from the values of the final kinetic energy of the complementary fragments) and the average value of fragment kinetic energy as a function of the final mass.
The mass and kinetic energy distribution of nuclear fragments from thermal neutron-induced fission of 235U have been studied using a Monte-Carlo simulation. Besides reproducing the pronounced broadening in the standard deviation of the kinetic energy at the final fragment mass number around m = 109, our simulation also produces a second broadening around m = 125. These results are in good agreement with the experimental data obtained by Belhafaf et al. and other results on yield of mass. We conclude that the obtained results are a consequence of the characteristics of the neutron emission, the sharp variation in the primary fragment kinetic energy and mass yield curves. We show that because neutron emission is hazardous to make any conclusion on primary quantities distribution of fragments from experimental results on final quantities distributions.
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