issue contents

Journal logoFOUNDATIONS
ADVANCES
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 [Sigma] 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 [Sigma] for arbitrary rotations and provides a means for computing [Sigma] for non-cubic and multi-material bicrystals, as discussed by Patala [Acta Cryst. (2017), A73, 85-86].

scientific commentaries


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

advances

research papers


link to html
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.

foundations

research papers


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

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

link to html
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.

link to html
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.

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

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

link to html
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.

obituaries


international union of crystallography


book reviews



books received


Follow Acta Cryst. A
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds