We propose two improvements to the microstructural modeling in Rietveld refinement. The first is the model that yields the complete texture-weighted strain and stress tensors as a function of crystallite orientations, as well as the average values of macroscopic strain and stress tensors for all Laue classes. Implementation in the Rietveld refinement program can be made through the set of refin...

Since its inception over 35 years ago, Rietveld refinement (Rietveld, 1969) has come a long way. In the beginning, the aim was to carry out crystal-structure refinement using neutron diffraction. As its primary purpose was refinement of the perfect crystal structures of polycrystalline samples, there was a need to introduce corrections to peak intensities and positions, as calculated for a perf...

The lithium air, or Li-O2, battery system is a promising electrochemical energy storage system because of its very high theoretical specific energy, as required by automotive applications. Fundamental research has resulted in much progress in mitigating detrimental (electro)chemical processes; however, the detailed structural evolution of the crystalline Li2O2 and LiOH discharge products, held ...

The SUPREX thin film refinement of x-ray diffraction XRD was used to quantitatively analyze the structure of thermally evaporated iron phthalocyanine FePc organic thin films as a function of growth temperature and postdeposition in situ annealing time. A bilayer model was necessary to refine the FePc XRD data. Results using this model provide clear evidence that the first molecular layer of FeP...

In this paper, the possibility of mechanical coating of aluminum with either Ni or SiC using planetary ball mill was studied. The Al substrate was fixed inside of the vial lid of a planetary ball mill filled with milling balls and starting powder. The phase analysis and crystallite size measurement of the coatings were carried out using X-ray diffraction (XRD) method. Scanning electron micro...

Current study represents the effect of the size and synthesis method on the cation distribution of cobalt ferrite nanoparticles and on the magnetic properties. The nanoferrites have been synthesized through sol-gel auto-combustion method using metal nitrates as precursor and citrate as fuel. In order to obtain the fine and agglomerated-free particles, we have used salt-assisted combustion react...

In this paper, Cu-Ti nanocomposite synthesized via ball milling of copper-titanium powders in 1, 3, and 6 of weight percentage compounds. The vial speed was 350 rpm and ball to powder weight ratio kept at 15:1 under Argon atmosphere, and the time of milling was 90 h. Obtained powders were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD), and dynamic light scattering (DLS)....

An anomalous dependence of the lattice parameter on the crystallite size of nanocrystalline ball-milled powders of metals was observed: lattice contraction followed by lattice expansion with decreasing crystallite size. These data were determined by application of detailed Xray diffraction measurements. To this end, the lattice parameters of all the metals were accurately determined by correcti...