Results 41 to 50 of about 76,983 (257)

Neutron powder diffraction in materials with incoherent scattering: an illustration of Rietveld refinement quality from nondeuterated gypsum

, 2009
The power of the state-of-the-art neutron powder diffractometer suite at the Institut Laue-Langevin for investigating the structure of nondeuterated materials is presented using gypsum, CaSO4·2H2O, as a reference material.
Weller, M.T., Henry, P.F., Wilson, C.C.
core   +1 more source

Enhancing Strength and Electrical Conductivity in Al–Zr–Sc Conductor Alloys Through Sn and Sr Microalloying and Two‐Step Aging Treatment

Advanced Engineering Materials, EarlyView.
Trace additions of Sn and Sr combined with a two‐step aging treatment are shown to enhance the microstructure and performance of Al–Zr–Sc conductor alloys. Strength and electrical conductivity increase concurrently through accelerated precipitation of fine Al3(Sc, Zr) precipitates and improved dislocation resistance, offering a cost‐effective pathway ...
Quan Shao, Emad M. Elgallad, Alexandre Maltais, X.‐Grant Chen   +3 more
wiley   +1 more source

Determination of the [Pt(NH3)5Cl]Br3 crystal structure from X-ray powder diffraction data using multi-population genetic algorithm

, 2020
Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала.The paper describes an approach for automated crystal structure solution from powder diffraction data using the multi-population genetic algorithm (MPGA).
Yakimov, I. S., Dubinin, P. S., Zaloga, A. N.   +2 more
core   +2 more sources

Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin

Química Nova, 2012
Friedelin molecular conformers were obtained by Density Functional Theory (DFT) and by ab initio structure determination from powder X-ray diffraction. Their conformers with the five rings in chair-chair-chair-boat-boat, and with all rings in chair, are ...
Djalma Menezes de Oliveira, Wagner da Nova Mussel, Lucienir Pains Duarte, Grácia Divina de Fátima Silva, Hélio Anderson Duarte, Elionai Cassiana de Lima Gomes, Luciana Guimarães, Sidney A. Vieira Filho   +7 more
doaj   +1 more source

X-Ray Diffraction Analysis of Various Calcium Silicate-Based Materials

치위생과학회지, 2022
Background: The purpose of this study was to evaluate the composition of the crystal phases of various calcium silicate-based materials (CSMs): ProRoot white MTAⓇ (mineral trioxide aggregate) (WMTA), Ortho MTAⓇ (OM), Endocem MTAⓇ (EM), Retro MTAⓇ (RM ...
So-Youn An, Myung-Jin Lee, Youn-Soo Shim
doaj   +1 more source

Powder X-ray characterization of lithium thiazoildine-4-carboxylate

, 2009
Powder X-ray diffraction studies of a lithium salt of thiazolidine-4-carboxylic acid (Li-TC4) of composition LiC(4)H(6)NSO(2) are presented in this paper.
Antonio, S. G., Antonio, S. G. [UNESP], Paiva-Santos, C. O., Andrade, F. C., Andrade, F. C. [UNESP], Massabni, Antonio Carlos, Corbi, P. P., Paiva-Santos, C. O. [UNESP], Massabni, Antonio Carlos [UNESP]   +8 more
core   +1 more source

Thermodynamic Pathways of Nonequilibrium Solidification in Wire‐Arc Additive Manufacturing Fe‐Based Multicomponent Alloy Structures

Advanced Engineering Materials, EarlyView.
Geometry‐driven thermal behavior in wire‐arc additive manufacturing (WAAM) influences microstructural evolution during nonequilibrium solidification of a chemically complex Fe–Cr–Nb–W–Mo–C nanocomposite system. By comparing different deposits configurations, distinct entropy–cooling rate correlations, segregation, and carbide evolution are revealed ...
Blanca Palacios, Anthony Gonzalez, Aleksander Aleman, Tyler Dolmetsch, Tanaji Paul, Arvind Agarwal   +5 more
wiley   +1 more source

A new benchmark for machine learning applied to powder X-ray diffraction

Scientific Data
Although crystal parameter prediction from powder X-ray diffraction has recently attracted the interest of the machine learning community, most existing datasets for this task are private and lack structural diversity.
Sergio Rincón, Gabriel González, Mario A. Macías, Pablo Arbeláez   +3 more
doaj   +1 more source

Tailored Hierarchical Porous Copper Architectures via Three Dimensional Printing and Pressure‐less Sintering for Next‐Generation Lithium‐Metal Batteries

Advanced Engineering Materials, EarlyView.
A hierarchical porous copper current collector is fabricated via three‐dimensional printing combined with pressureless sintering to stabilize lithium metal anodes. The interconnected architecture lowers local current density, guides uniform Li deposition within pores, and suppresses dendrite growth.
Alok Kumar Mishra, Mukul Shukla
wiley   +1 more source

Influence of annealing on X-ray diffraction of natural alexandrite

, 2002
In this work we present results of X-ray diffraction using powder method, on natural alexandrite samples from Minas Gerais State (Brazil), as a function of a sequence of annealing. From these measurements we determine lattice parameters before (a = 9.405
Ruggiero, L. D., Li, M. S., Scalvi, RMF
core   +1 more source