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1.
J Phys Condens Matter ; 30(1): 015403, 2018 Jan 10.
Artigo em Inglês | MEDLINE | ID: mdl-29105649

RESUMO

In this work, we first simulated the amorphization of crystalline quartz under 50 keV [Formula: see text]Na ion irradiation with classical molecular dynamics (MD). We then used binary collision approximation algorithms to simulate the Rutherford backscattering spectrometry in channeling conditions (RBS-C) from these irradiated MD cells, and compared the RBS-C spectra with experiments. The simulated RBS-C results show an agreement with experiments in the evolution of amorphization as a function of dose, showing what appears to be (by this measure) full amorphization at about 2.2 eV⋅[Formula: see text]. We also applied other analysis methods, such as angular structure factor, Wigner-Seitz, coordination analysis and topological analysis, to analyze the structural evolution of the irradiated MD cells. The results show that the atomic-level structure of the sample keeps evolving after the RBS signal has saturated, until the dose of about 5 eV⋅[Formula: see text]. The continued evolution of the [Formula: see text] structure makes the definition of what is, on the atomic level, an amorphized quartz ambiguous.

2.
J Phys Condens Matter ; 25(4): 045006, 2013 Jan 30.
Artigo em Inglês | MEDLINE | ID: mdl-23238277

RESUMO

The morphology of swift heavy ion tracks in crystalline α-quartz was investigated using small angle x-ray scattering (SAXS), molecular dynamics (MD) simulations and transmission electron microscopy. Tracks were generated by irradiation with heavy ions with energies between 27 MeV and 2.2 GeV. The analysis of the SAXS data indicates a density change of the tracks of ~2 ± 1% compared to the surrounding quartz matrix for all irradiation conditions. The track radii only show a weak dependence on the electronic energy loss at values above 17 keV nm(-1), in contrast to values previously reported from Rutherford backscattering spectrometry measurements and expectations from the inelastic thermal spike model. The MD simulations are in good agreement at low energy losses, yet predict larger radii than SAXS at high ion energies. The observed discrepancies are discussed with respect to the formation of a defective halo around an amorphous track core, the existence of high stresses and/or the possible presence of a boiling phase in quartz predicted by the inelastic thermal spike model.


Assuntos
Íons Pesados , Íons , Quartzo , Anisotropia , Eletrônica , Microscopia Eletrônica de Transmissão/métodos , Simulação de Dinâmica Molecular , Método de Monte Carlo , Oscilometria/métodos , Física/métodos , Espalhamento de Radiação , Espalhamento a Baixo Ângulo , Espectrofotometria/métodos , Raios X
3.
Phys Rev Lett ; 110(24): 245502, 2013 Jun 14.
Artigo em Inglês | MEDLINE | ID: mdl-25165936

RESUMO

Ion tracks formed in amorphous Ge by swift heavy-ion irradiation have been identified with experiment and modeling to yield unambiguous evidence of tracks in an amorphous semiconductor. Their underdense core and overdense shell result from quenched-in radially outward material flow. Following a solid-to-liquid phase transformation, the volume contraction necessary to accommodate the high-density molten phase produces voids, potentially the precursors to porosity, along the ion direction. Their bow-tie shape, reproduced by simulation, results from radially inward resolidification.

4.
Phys Rev Lett ; 101(17): 175503, 2008 Oct 24.
Artigo em Inglês | MEDLINE | ID: mdl-18999762

RESUMO

We report on the observation of a fine structure in ion tracks in amorphous SiO2 using small angle x-ray scattering measurements. Tracks were generated by high energy ion irradiation with Au and Xe between 27 MeV and 1.43 GeV. In agreement with molecular dynamics simulations, the tracks consist of a core characterized by a significant density deficit compared to unirradiated material, surrounded by a high density shell. The structure is consistent with a frozen-in pressure wave originating from the center of the ion track as a result of a thermal spike.

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