A general nonparameterized continuum scattered wave (CMS) method for calculating total and differential elastic cross sections for electron-molecule scattering at low energies (0-30 eV) is presented. The method uses a local exchange approximation based on the Hara free electron gas model. The parameters required for exchange potential and the energy-dependent polarization potential are generated entirely within the calculation. CMS results for argon and methane are presented. The argon results compare very favorably with results recently obtained from an ab-initio R-matrix method. At very low energies the results agree very well with recent experimental work for the scattering length and the position and magnitude of the Ramsauer-Townsend minima observed for both argon and methane. An analysis of the potential suggests that the Slater transition-state half-occupation method used to generate the scattering potential could be a way of automatically including both a self-interaction correction and a weak correlation-polarization term similar to that obtained from the accurate electron gas correlation expression of Ceperly and Alder.
The structural response of Dy2TiO5 oxide under swift heavy ion irradiation (2.2 GeV Au ions) was studied over a range of structural length scales utilizing neutron total scattering experiments. Refinement of diffraction data confirms that the long-range orthorhombic structure is susceptible to ion beam-induced amorphization with limited crystalline fraction remaining after irradiation to 8 × 1012 ions/cm2. In contrast, the local atomic arrangement, examined through pair distribution function analysis, shows only subtle changes after irradiation and is still described best by the original orthorhombic structural model. A comparison to Dy2Ti2O7 pyrochlore oxide under the same irradiation conditions reveals a different behavior: while the dysprosium titanate pyrochlore is more radiation resistant over the long-range with smaller degree of amorphization as compared to Dy2TiO5, the former involves more local atomic rearrangements, best described by a pyrochlore-to-weberite-type transformation. These results highlight the importance of short-range and medium-range order analysis for a comprehensive description of radiation behavior.
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