Simulations of in situ X-ray diffraction from uniaxially compressed highly textured polycrystalline targets

Article English OPEN
McGonegle, David ; Milathianaki, Despina ; Remington, Bruce A. ; Wark, Justin S. ; Higginbotham, Andrew (2015)
  • Subject: 3100

A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments are becoming increasingly sophisticated, there has been little work on exploiting the textured nature of polycrystalline targets to gain information on sample response. Here, we describe how to generate simulated x-ray diffraction patterns from materials with an arbitrary texture function subject to a general deformation gradient. We will present simulations of Debye-Scherrer x-ray diffraction from highly textured polycrystalline targets that have been subjected to uniaxial compression, as may occur under planar shock conditions. In particular, we study samples with a fibre texture, and find that the azimuthal dependence of the diffraction patterns contains information that, in principle, affords discrimination between a number of similar shock-deformation mechanisms. For certain cases we compare our method with results obtained by taking the Fourier Transform of the atomic positions calculated by classical molecular dynamics simulations. Illustrative results are presented for the shock-induced $\alpha$-$\epsilon$ phase transition in iron, the $\alpha$-$\omega$ transition in titanium and deformation due to twinning in tantalum that is initially preferentially textured along [001] and [011]. The simulations are relevant to experiments that can now be performed using 4th generation light sources, where single-shot x-ray diffraction patterns from crystals compressed via laser-ablation can be obtained on timescales shorter than a phonon period.
  • References (72)
    72 references, page 1 of 8

    5 1 0 2 6 2 ∗ Electronic address:

    † Now at Department of Physics, University of York, Heslington, York YO10 5DD, UK

    1 M. H. Rice, R. G. McQueen, and J. M. Walsh, “Compression of solids by strong shock waves,” Solid state Phys., vol. 6, pp. 1-63, 1958.

    2 G. E. Duvall and G. R. Fowles, “Shock waves,” in High Press. Phys. Chem. Vol. 2, vol. 2, p. 209, 1963.

    3 L. Davison and R. Graham, “Shock compression of solids,” Phys. Rep., vol. 55, pp. 255-379, Oct. 1979.

    4 J. W. Swegle and D. E. Grady, “Shock viscosity and the prediction of shock wave rise times,” J. Appl. Phys., vol. 58, no. 2, p. 692, 1985.

    5 D. H. Kalantar, J. Belak, G. W. Collins, J. Colvin, H. Davies, J. H. Eggert, T. Germann, J. Hawreliak, B. Holian, K. Kadau, P. Lomdahl, H. E. Lorenzana, M. A. Meyers, K. Rosolankova, M. Schneider, J. Sheppard, J. St¨olken, and J. S. Wark, “Direct Observation of the α-ǫ Transition in Shock-Compressed Iron via Nanosecond X-Ray Diffraction,” Phys. Rev. Lett., vol. 95, pp. 1-4, Aug. 2005.

    6 S. Minshall, “Properties of Elastic and Plastic Waves Determined by Pin Contactors and Crystals,” J. Appl. Phys., vol. 26, no. 4, p. 463, 1955.

    7 D. Bancroft, E. L. Peterson, and S. Minshall, “Polymorphism of Iron at High Pressure,” J. Appl. Phys., vol. 27, p. 291, Mar. 1956.

    8 G. R. Fowles, “Shock Wave Compression of Hardened and Annealed 2024 Aluminum,” J. Appl. Phys., vol. 32, no. 8, p. 1475, 1961.

  • Similar Research Results (1)
  • Metrics
    views in OpenAIRE
    views in local repository
    downloads in local repository

    The information is available from the following content providers:

    From Number Of Views Number Of Downloads
    White Rose Research Online - IRUS-UK 0 40
Share - Bookmark