Vacancy ordered phases of nonstoichiometric hafnium carbide from evolutionary crystal structure predictions

2022 ◽  
Vol 891 ◽  
pp. 162063
Author(s):  
Maxim G. Kostenko ◽  
Jingyu Li ◽  
Zhi Zeng ◽  
Yongsheng Zhang ◽  
Sergey V. Sharf ◽  
...  
2014 ◽  
Vol 1013 ◽  
pp. 41-48 ◽  
Author(s):  
Мaksim Morozov ◽  
Aleksandr I. Potekaev ◽  
Anatolii A. Klopotov ◽  
Valentina Kulagina ◽  
Тatyana Markova ◽  
...  

The results of the analysis of phase equilibria ordered phases in binary systems based on palladium Pd-Me (Me = Co, Rh, Ir, Cu, Ag, Au, Ni, Pt) are set out to search for correlations and crystal-chemical and crystal geometric factors. It is found that the packing factor in disordered solid solutions in binary systems based on Pd is close to the value of 0.74 on a background of a slight deviation from the atomic volumes Xena. It is revealed that increasing of the hydrogen permeability in Cu-Pd binary alloys correlates with significant reduction of the packing factor in B2 ordered phase in the range of 40 at.% Pd. It is found that various structural-phase states are formed in Pd-Me binary systems with certain combinations of temperature and size factors.


2020 ◽  
Vol 56 (1) ◽  
pp. 72-76
Author(s):  
A. S. Urusova ◽  
A. V. Bryuzgina ◽  
M. Yu. Mychinko ◽  
A. V. Dyakova ◽  
V. A. Cherepanov

Author(s):  
L. L. Boyer ◽  
Efthimios Kaxiras ◽  
M. J. Mehl ◽  
J. L. Feldman ◽  
J. Q. Broughton

ChemInform ◽  
2008 ◽  
Vol 39 (27) ◽  
Author(s):  
D. Mazzone ◽  
P. L. Paulose ◽  
S. K. Dhar ◽  
M. L. Fornasini ◽  
P. Manfrinetti

2004 ◽  
Vol 73 (12) ◽  
pp. 3422-3428 ◽  
Author(s):  
Masafumi Sera ◽  
Moo-Sung Kim ◽  
Hideki Tou ◽  
Satoru Kunii

2000 ◽  
Vol 645 ◽  
Author(s):  
Thomas Rehfeldt ◽  
Gerhard Schumacher ◽  
Hellmuth Klingelhoeffer

ABSTRACTThe stability of microstructure and the microhardness of a NiCoCrAlY alloy was studied after thermal treatment at high temperatures and subsequent quenching into ice water. The alloy revealed mainly two ordered phases, a γ' phase with L12 crystal structure and a β phase with B2 structure. The γ' phase is shown to become unstable in the temperature range between 1073 K and 1373 K where it undergoes an order-disorder phase transformation. The low transformation temperature compared to pure Ni3Al is ascribed to deviations from the Ni3Al stoichiometry and to the additional alloying elements Co and Cr. The γ'-γ order-disorder transformation is shown to be attended by a decrease in microhardness of about 30 %.


2008 ◽  
Vol 453 (1-2) ◽  
pp. 24-31 ◽  
Author(s):  
D. Mazzone ◽  
P.L. Paulose ◽  
S.K. Dhar ◽  
M.L. Fornasini ◽  
P. Manfrinetti

Author(s):  
Douglas L. Dorset ◽  
Anthony J. Hancock

Lipids containing long polymethylene chains were among the first compounds subjected to electron diffraction structure analysis. It was only recently realized, however, that various distortions of thin lipid microcrystal plates, e.g. bends, polar group and methyl end plane disorders, etc. (1-3), restrict coherent scattering to the methylene subcell alone, particularly if undistorted molecular layers have well-defined end planes. Thus, ab initio crystal structure determination on a given single uncharacterized natural lipid using electron diffraction data can only hope to identify the subcell packing and the chain axis orientation with respect to the crystal surface. In lipids based on glycerol, for example, conformations of long chains and polar groups about the C-C bonds of this moiety still would remain unknown.One possible means of surmounting this difficulty is to investigate structural analogs of the material of interest in conjunction with the natural compound itself. Suitable analogs to the glycerol lipids are compounds based on the three configurational isomers of cyclopentane-1,2,3-triol shown in Fig. 1, in which three rotameric forms of the natural glycerol derivatives are fixed by the ring structure (4-7).


Author(s):  
George G. Cocks ◽  
Louis Leibovitz ◽  
DoSuk D. Lee

Our understanding of the structure and the formation of inorganic minerals in the bivalve shells has been considerably advanced by the use of electron microscope. However, very little is known about the ultrastructure of valves in the larval stage of the oysters. The present study examines the developmental changes which occur between the time of conception to the early stages of Dissoconch in the Crassostrea virginica(Gmelin), focusing on the initial deposition of inorganic crystals by the oysters.The spawning was induced by elevating the temperature of the seawater where the adult oysters were conditioned. The eggs and sperm were collected separately, then immediately mixed for the fertilizations to occur. Fertilized animals were kept in the incubator where various stages of development were stopped and observed. The detailed analysis of the early stages of growth showed that CaCO3 crystals(aragonite), with orthorhombic crystal structure, are deposited as early as gastrula stage(Figuresla-b). The next stage in development, the prodissoconch, revealed that the crystal orientation is in the form of spherulites.


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