journal menuforthcoming articles
The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section A: Foundations and Advances.
See also Forthcoming articles in all IUCr journals.
research papersDirect derivation of anisotropic atomic displacement parameters from molecular dynamics simulations in extended solids with substitutional disorder using a neural network potential
Direct derivation of anisotropic atomic displacement parameters is possible using molecular dynamics simulations of supercells at finite temperature.
research papersresearch papersSymmetries of all lines in monolayer crystals
Scanning tables for the layer groups are presented, listing the crystal symmetries for all rational lines in all layer groups (describing monolayer crystals). This has applications for linear defects and domain walls in 2D materials.
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