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Acta crystallographica. Section D, Biological crystallography., ISSN 0907-4449, 2012, Volume 68, Issue 4, pp. 352 - 367
Journal Article
Mineralogical magazine, ISSN 1471-8022, 2018, Volume 59, Issue 397, pp. 677 - 683
Mackinawite, tetragonal FeS, has been synthesised by reacting iron with Na S solutions. A Rietveld structure refinement of X-ray powder diffraction data,... 
Rietveld structure refinement | synthesis | mackinawite | MINERALOGY
Journal Article
Foundations of Computational Mathematics, ISSN 1615-3375, 8/2019, Volume 19, Issue 4, pp. 901 - 962
Journal Article
ACM Computing Surveys (CSUR), ISSN 0360-0300, 07/2016, Volume 49, Issue 1, pp. 1 - 39
Journal Article
Journal Article
Acta crystallographica Section B, Structural science, crystal engineering and materials, ISSN 2052-5206, 2013, Volume 69, Issue 3, pp. 249 - 259
Journal Article
Acta materialia, ISSN 1359-6454, 2015, Volume 84, pp. 292 - 304
Al-Ti-B is the most widely used grain refiner for many Al alloys. However, the precise mechanism of grain refinement is still not clear after 60 years of... 
Interfacial layer | Nucleation | TiB | Aluminum | Grain refinement | TiB2 | PARTICLES | MATERIALS SCIENCE, MULTIDISCIPLINARY | METALLURGY & METALLURGICAL ENGINEERING | SIZE | ALUMINUM-ALLOYS | AL | MODEL | TITANIUM | REFINEMENT | POTENCY | HETEROGENEOUS NUCLEATION | Aluminum base alloys | Intermetallic compounds | Monolayers | Intermetallics | Formations | Titanium aluminides | Titanium diboride | Dissolution
Journal Article
Computer methods in applied mechanics and engineering, ISSN 0045-7825, 04/2017, Volume 316, pp. 424 - 448
Journal Article
Physical review letters, ISSN 0031-9007, 07/2013, Volume 111, Issue 1, p. 015502
We report the characterization of a unique metallic glass that, during rapid cooling of an Al-Fe-Si melt, forms by nucleation, followed by growth normal to a... 
REFINEMENT | PHYSICS, MULTIDISCIPLINARY
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 01/2012, Volume 33, Issue 3, pp. 301 - 310
Journal Article
Current opinion in structural biology, ISSN 0959-440X, 2014, Volume 28, Issue 1, pp. 56 - 62
•X-ray crystallography contains information about multiple conformations.•Multiple strategies are being tested to model conformational heterogeneity.•Free... 
TEMPERATURE | CRYSTALLOGRAPHIC REFINEMENT | PROTEIN-STRUCTURE | BIOCHEMISTRY & MOLECULAR BIOLOGY | CROSS-VALIDATION | DYNAMICS | ENSEMBLE REFINEMENT | RAY | MODEL | SIMULATED ANNEALING REFINEMENT | ELECTRON-DENSITY | CELL BIOLOGY | Models, Molecular | Crystallography, X-Ray | Molecular Conformation
Journal Article