issue contents

ISSN: 2053-2733

March 2017 issue

Highlighted illustration

Cover illustration: Thermalized face-centred cubic lattices (red, blue) and their product (yellow) forming the coincident site lattice (CSL) at three rotations about the 001 axis, where the CSL Σ is computed for arbitrary rotations using the inner product and norm of smoothed lattice density fields [see Runnels (2017). Acta Cryst. A73, 87–92]. This novel formulation enables the smooth computation of Σ for arbitrary rotations and provides a means for computing Σ for non-cubic and multi-material bicrystals, as discussed by Patala [Acta Cryst. (2017), A73, 85–86].

scientific commentaries

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The wider significance of the regularized and physically intuitive Σ function developed by Runnels [Acta Cryst. (2017), A73, 87–92] is discussed.


research papers

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A continuous-valued formulation of the coincident site lattice Σ is developed based on the L2 inner product, taking into account temperature and arbitrary lattice rotation. Results are computed for face-centered-cubic tilt bicrystals and shown either to converge to the integer-valued Σ or to diverge to infinity.


research papers

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Distribution analysis of intensity observations in serial femtosecond crystallography data processing helps to separate Bragg reflections from the background detector response.

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The performance of a lattice-dynamical model refined against elastic Bragg scattering data is tested on L-alanine, naphthalene and xylitol.

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A unified approach to derive transformation strains and orientation-relationship models in steels is presented. This unified approach is used to derive the Nishiyama–Wassermann, Kurdjumov–Sachs and other models, and extend them naturally to the situation of a tetragonal α′ phase.

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The intrinsic, hyperbolic crystallography of the two-periodic, genus-two HCB and SQL surfaces is presented. All discrete groups containing the translations of the Euclidean embeddings of these surfaces are derived and examples of applications are given.

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The practical generation of all Bravais and quasicrystal symmetries from a finite group is described.

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The properties of the phase problem for a one-dimensional crystal and implications for imaging single, rod-like molecules are examined.

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A Taylor expansion of an anharmonic Debye–Waller factor with respect to temperature was calculated up to the fourth order with a Monte Carlo simulation, where the lattice was face-centred and the atomic interaction was described by the Lennard–Jones potential.


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