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期刊名:Acta crystallographica a-foundation and advances

缩写:ACTA CRYSTALLOGR A

ISSN:2053-2733

e-ISSN:2053-2733

IF/分区:2.1/Q3

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Wenjie Zhou Wenjie Zhou
Among all the infinitely many 3D periodic networks you could draw in space, which ones are the most symmetric, in a strict, mathematically defined sense? This is the lattice analog of a very old question: if Platonic solids are the most sym...
Il Hwan Kim,Jong Song Ri,Un Ik Kang et al. Il Hwan Kim et al.
To describe the structural phase transitions P42/mnm(R) ↔ P21/c(M1) ↔ P1(T) ↔ C2/m(M2) observed experimentally in VO2 and its solid solutions, the two-component order parameter model is newly proposed. We identify the space groups of 102...
Amelia C Y Liu,Huyen Pham,Arabinda Bera et al. Amelia C Y Liu et al.
The notion of defects in crystalline phases of matter has been extremely powerful for understanding crystal growth, deformation and melting. Many of these discontinuities in the periodic order of crystals are well described by the Burgers v...
Pavel Kalugin Pavel Kalugin
We present an open-source Julia-based software toolkit for solving the phase problem using dual-space iterative algorithms. The toolkit is specifically designed for aperiodic crystals and quasicrystals, supporting general space-group symmet...
Kouhei Ichiyanagi,Toshiyuki Sasaki,Yuichi Yokoyama et al. Kouhei Ichiyanagi et al.
A denoising method based on total variation regularization was applied to X-ray diffraction images obtained from X-ray crystallography experiments. This approach significantly enhanced the signal-to-noise ratio of weak diffraction spots. Su...
Džonatans Miks Melgalvis,Toms Rekis Džonatans Miks Melgalvis
We discuss and present approaches for generating artificial crystal structures for training neural networks to solve the phase problem. Structure generation is considered as a two-step process involving sampling unit-cell parameters and fil...
Vitaly V Porsev,Andrei V Bandura,Dmitry D Kuruch et al. Vitaly V Porsev et al.
Quantum chemical calculations of ultrathin nanorods cut from two bulk selenium phases were performed. Two sets of nanorods with trigonal and hexagonal geometric shapes described by the rod symmetry groups p31 and p3121, respectively, were c...
Jonathan McManus,Vitaliy Kurlin Jonathan McManus
The fundamental model of any periodic crystal is a periodic set of points at all atomic centres. Since crystal structures are determined in a rigid form, their strongest equivalence is rigid motion (composition of translations and rotations...
Mian Li,Michael O&#x;Keeffe,Michael M J Treacy Mian Li
Supersymmetric structures are defined as edge-transitive spatial graphs where the order of the site symmetry at each vertex is at least twice the coordination number of the vertex. Only 11 vertex- and edge-transitive connected periodic grap...
Fatma Kablan,Benedek Nagy,Béla Vizvári Fatma Kablan
The kisrhombille tiling is the dual tessellation of one of the semi-regular tilings, composed of right-angled triangles arranged in 12 distinct orientations. A coordinate system has been employed to formally describe the grid of tiles. In t...