X-ray diffraction from one-dimensionally disordered 2H crystals undergoing solid state transformation to the 6H structure II. The deformation mechanism

The 2H or AB Structure may be transformed to 6H or ABCACB structure if deformation faults occur preferentially after every third close-packed layer. The theory of X-ray diffraction from one-dimensionally disordered crystals undergoing the 2H → 6H structural transformation by such a deformation mechanism is developed. For this, it is necessary to consider that the faults are not distributed entirely at random but tend to occur in such a manner as to statistically create a 6H structure. An exact expression for the diffracted intensity for crystals undergoing the 2H → 6H transformation by the deformation mechanism has been obtained and the different observable diffraction effects have been predicted. These results are very different from those obtained of 2H crystals containing an entirely random distribution of deformation faults, especially for large fault probabilities.

The diffraction effects predicted theoretically in the preceding two papers for 2H crystals undergoing solid state transformation to the 6H structure by the layer displacement mechanism and the deformation mechanism are compared with those experimentally observed on SiC. It is shown that the observed diffraction characteristics can be explained in terms of the layer displacement mechanism and not the deformation mechanism. A simple estimate of the layer displacement fault probability in two transformed 6H SiC crystals has been made by analysing the halfwidth of the experimentally obtained intensity profiles of the 10. L reflexions. It is also shown that the presence of a small concentration of growth faults in the as-grown 2H SiC crystal does not alter the basic diffraction characteristics predicted in part I of this series of papers.


1990 ◽  
Vol 194 ◽  
Author(s):  
Erica Robertson ◽  
Mary Ann Hill ◽  
Ricardo B. Schwarz

AbstractFusion zone microstructures of an electron beam (EB) welded XDt m Ti–48at%Al + 6.5 vol% TiB2 alloy revealed plate-like precipitates which were absent in the base metal. The volume fraction of this phase increased with increasing cooling rate and correlated with increased weld cracking frequency. To determine whether this phase was a product of solidification from the melt or a product of a solid-state transformation, the microstructures of the welds were compared to those of samples cycled in a Gleeble 1500/20 Thermal-Mechanical Test System which was programmed to simulate the solid-state portion of the weld cooling rates (as predicted by a Rosenthal analysis). The microstructures were characterized by X-ray diffraction, optical and by scanning electron microscopy. The plate-like phase found in the weld microstructures was identified as TiB2 occurring upon rapid solidification of the melted weld metal.


MRS Advances ◽  
2020 ◽  
Vol 5 (29-30) ◽  
pp. 1529-1535 ◽  
Author(s):  
Rijie Zhao ◽  
Jianrong Gao ◽  
Yang Ren

AbstractMelting, solidification and solid-state transformation of the intermetallic Ni3Sn compound were investigated in situ using synchrotron high-energy X-ray diffraction. It was observed that the compound undergoes a hexagonal to cubic transition before melting. In solidification, a disordered cubic phase crystallizes from the liquid at a large undercooling but it is reordered prior to bulk solidification. In melting and solidification, forced or natural flows are active bringing about significant changes of crystal orientations. These in situ observations provided insights into phase transformations of Ni3Sn at elevated temperatures and their roles in formation of metastable microstructure consisting of coarse grains and subgrains.


The 2H or AB. . . close-packed structure may be transformed to 6H or ABCACB. . . structure if layer displacement faults occur preferentially on every third close-packed layer. The theory of X-ray diffraction from one-dimensionally disordered crystals undergoing the 2H → 6H structural transformation by such a layer displacement mechanism is developed. It is shown that it is necessary to consider that the faults do not occur entirely at random but prefer to occur at three-layer separations from each other in order to statistically create a 6H structure. The diffraction theory, as developed by earlier workers for 2H crystals containing a completely random distribution of stacking faults, cannot therefore be applied to the present case. An exact expression for the diffracted intensity from crystals undergoing the 2H → 6H transformation has been obtained and the different observable diffraction effects (like change in integrated intensity, peak shift, integral breadth, peak asymmetry) have been predicted.


2014 ◽  
Vol 38 (4) ◽  
pp. 1385-1388 ◽  
Author(s):  
Javier Martí-Rujas ◽  
Massimo Cametti

A new adamantanoid metal cluster has been synthesized and its solid-state transformation monitored by X-ray diffraction.


2015 ◽  
Vol 120 (3) ◽  
pp. 570-587 ◽  
Author(s):  
Steven J. Jaret ◽  
William R. Woerner ◽  
Brian L. Phillips ◽  
Lars Ehm ◽  
Hanna Nekvasil ◽  
...  

2000 ◽  
Vol 56 (3) ◽  
pp. 419-425 ◽  
Author(s):  
S. D. Kirik ◽  
L. A. Solovyov ◽  
A. I. Blokhin ◽  
I. S. Yakimov

Crystal structures of [Pd(NH3)2 X 2] complexes, where X = Br or I, diamminediiodo-/-dibromopalladium(II), have been studied by X-ray powder diffraction. The series consists of five complexes: cis-[Pd(NH3)2Br2] (I) [a = 13.3202 (7), b = 12.7223 (6), c = 7.05854 (3) Å, Z = 8, space group Pbca], trans-[Pd(NH3)2Br2] (II) [a = 6.7854 (3), b = 7.1057 (3), c = 6.6241 (2) Å, α = 103.221 (3), β = 102.514 (2), γ = 100.386 (3)°, Z = 2, space group P\overline 1], β-trans-[Pd(NH3)2Br2] (III) [a = 8.4315 (3), b = 8.4206 (3), c = 8.0916 (2) Å, Z = 4, space group Pbca], cis-[Pd(NH3)2I2] (IV) [a = 13.9060 (8), b = 13.5035 (8), c = 7.5050 (4) Å, Z = 8, space group Pbca], and β-trans-[Pd(NH3)2I2] (V) [a = 8.8347 (5), b = 8.8410 (5), c = 8.6081 (2) Å, Z = 4, space group Pbca]. Patterson synthesis and Rietveld refinement have been used for structural determination. Molecular structures with column- or parquet-type packing of flat complexes are characteristic of these substances. Corresponding cis- and β-trans compounds are isostructural. The thermal transformations cis→trans→β-trans (cis→β-trans in the case of iodine) are considered. Cl derivatives are also discussed. The transformations proceed irreversibly and are accompanied by decreasing specific volume. Owing to these features, they can be classified as chemical reactions. High-temperature X-ray powder diffraction was used to study the transformations in air. The set of data is consistent with a solid state transformation from cis to trans. According to this model, the columns of molecules remain intact during the process, and the transformation proceeds via the breaking of Pd...X and Pd...N intermolecular bonds. The powder diffraction data have been deposited in ICDD-JCPDS (45-0596, 46-0876, 46-0879, 47-1690, 48-1185).


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