Lattice symmetry relaxation as a cause for anisotropic line broadening and peak shift in powder diffraction [0.03%]
晶格对称性松弛导致的粉末衍射各向异性线展宽和峰位偏移效应
Miguel Gregorkiewitz,Alice Boschetti
Miguel Gregorkiewitz
In powder diffraction, lattice symmetry relaxation causes a peak to split into several components which are not resolved if the degree of desymmetrization is small (pseudosymmetry). Here the equations which rule peak splitting are elaborate...
Structure of face-centred icosahedral quasicrystals with cluster close packing [0.03%]
具有聚集体紧密堆积的面心二十面体准晶体的结构
Tsunetomo Yamada,Hiroyuki Takakura,Akiji Yamamoto
Tsunetomo Yamada
A 6D structure model for face-centred icosahedral quasicrystals consisting of so-called pseudo-Mackay and mini-Bergman-type atomic clusters is proposed based on the structure model of the Al69.1Pd22Cr2.1Fe6.8 3/2 cubic approximant crystal (...
An alternative method to the Takagi-Taupin equations for studying dark-field X-ray microscopy of deformed crystals [0.03%]
一种替代的塔卡吉-陶宾方程方法用于研究变形晶体的暗场X射线显微技术
Kun Lun Wang,Xu Kang,Xiao Ya Li
Kun Lun Wang
This study introduces an alternative method to the Takagi-Taupin equations for investigating the dark-field X-ray microscopy (DFXM) of deformed crystals. In scenarios where dynamical diffraction cannot be disregarded, it is essential to ass...
Influence of device configuration and noise on a machine learning predictor for the selection of nanoparticle small-angle X-ray scattering models [0.03%]
器件配置和噪声对纳米粒子小角X射线散射模型选择的机器学习预测器的影响
Nicolas Monge,Massih Reza Amini,Alexis Deschamps
Nicolas Monge
Small-angle X-ray scattering (SAXS) is a widely used method for nanoparticle characterization. A common approach to analysing nanoparticles in solution by SAXS involves fitting the curve using a parametric model that relates real-space para...
Gervais Chapuis
Gervais Chapuis
Obituary for Dieter Schwarzenbach. Keywords: International Union of Crystallography; charge density; electro...
Adam Morawiec
Adam Morawiec
Neutron time-of-flight transmission spectra of mosaic crystals contain Bragg dips, i.e., minima at wavelengths corresponding to diffraction reflections. The positions of the dips are used for investigating crystal lattices. By rotating the ...
Agatha Kristel Abila,Ma Louise Antonette De Las Peñas,Mark Tomenes
Agatha Kristel Abila
An edge-n-coloring of a uniform tiling {/cal T} is uniform if for any two vertices of {/cal T} there is a symmetry of {/cal T} that preserves the colors of the edges and maps one vertex onto the other. This paper gives a method based on gro...
Richard Beanland,Robin Sjökvist
Richard Beanland
The superstructure spots that appear in diffraction patterns of tilted perovskites are well documented and easily calculated using crystallographic software. Here, by considering a distortion mode as a perturbation of the prototype perovski...
Instrumental broadening and the radial pair distribution function with 2D detectors [0.03%]
仪器变宽与具有二维探测器的径向对分布函数
Dmitry Chernyshov,Kenneth P Marshall,Erlend Tiberg North et al.
Dmitry Chernyshov et al.
The atomic pair distribution function (PDF) is a real-space representation of the structure of a material. Experimental PDFs are obtained using a Fourier transform from total scattering data which may or may not have Bragg diffraction peaks...
A new order parameter model for the improper ferroelastic phase transitions in KMnF3 single crystal [0.03%]
KMnF3单晶不适当铁弹性相变的新顺序参数模型
Il Hun Kim,Il Hwan Kim,Kum Ok Jang et al.
Il Hun Kim et al.
This paper proposes a new order parameter model which satisfactorily explains complicated symmetry changes, the temperature-pressure (T-P) phase diagram and elastic anomalies observed experimentally with the improper ferroelastic phase tran...