Robocrystallographer: Automated crystal structure text descriptions and analysis [PDF]
, 2019 Our ability to describe crystal structure features is of crucial importance when attempting to understand structure-property relationships in the solid state. In this paper, the authors introduce robocrystallographer, an open-source toolkit for analyzing
Ganose, AM, Jain, A
core
Polytypism of crystal structures
Computers & Mathematics with Applications, 1988 AbstractPolytypism occupies a singular position in the structural crystallography uniting features of polymorphism and diversity of crystal structure built of definite units. In the structural systematics the polytype structures are considered in relation to fragmentary, interstratified, hybrid (both commensurate and incommensurate), order-disorder (OD)
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Advanced Engineering Materials, EarlyView.The fabrication and post‐treatment via solvent annealing of poly(3,4‐ethylenedioxythiophene) polystyrene sulfonate‐based electrodes using spray deposition in a roll‐to‐roll setup are presented. The decrease in sheet resistance and its correlation with nanostructure and molecular structure in the electrodes as a function of the processing parameters is ...
Marie Betker +10 more
wiley +1 more source
Construction of Negatively Curved Cubic Carbon Crystals via Standard Realizations [PDF]
arXiv, 2016 We constructed physically stable sp2 negatively curved cubic carbon structures which reticulate a Schwarz P-like surface. The method for constructing such crystal structures is based on the notion of the standard realization of abstract crystal lattices. In this paper, we expound on the mathematical method to construct such crystal structures.
arxiv
Analysis of Crystal Structure of the Welds with Friction-stir Welding Method on the Retreating Side for Bimetallic Disimilar Aa6061-cu Using Neutron Diffraction Techniques [PDF]
, 2013 Crystal structure analysis has been performed on bimetallic disimilar Al-Cu. Neutron diffraction analysis shows that Al lattice parameter decrease from 4.09 Å to 4.05 Å while the Cu lattice parameter is relatively constant.
Bharoto, B. (Bharoto) +3 more
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The Crystal Structures of Molybdenum and Tungsten Borides. [PDF]
, 1947 Roland Kießling +4 more
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Machine Learning‐Guided Discovery of Factors Governing Deformation Twinning in Mg–Y Alloys
Advanced Engineering Materials, EarlyView.This study uses interpretable machine learning to identify key microstructural and processing parameters related to twinning in magnesium‐yttrium (Mg–Y) alloys. It is identified that using only grain size, grain orientation, and total applied strain, grains can be classified with 84% accuracy based on whether the grain contains a twin.
Peter Mastracco +8 more
wiley +1 more source
The crystal structure of Rochelle salt (sodium potassium tartrate tetrahydrate NaKC 4 H 4 O 6 . 4H 2 O) [PDF]
, 1941 C. A. Beevers, William L. Hughes
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Beyond Order: Perspectives on Leveraging Machine Learning for Disordered Materials
Advanced Engineering Materials, EarlyView.This article explores how machine learning (ML) revolutionizes the study and design of disordered materials by uncovering hidden patterns, predicting properties, and optimizing multiscale structures. It highlights key advancements, including generative models, graph neural networks, and hybrid ML‐physics methods, addressing challenges like data ...
Hamidreza Yazdani Sarvestani +4 more
wiley +1 more source
Crystal chemical studies of the 5f-series of elements. XXIV. The crystal structure and thermal expansion of γ-plutonium [PDF]
, 1955 W. H. Zachariasen, F.H. Ellinger
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