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1.
Materials (Basel) ; 16(20)2023 Oct 12.
Artículo en Inglés | MEDLINE | ID: mdl-37895642

RESUMEN

This is the first study ever to show the impact of high-energy 160 MeV xenon ion irradiation on the properties of 100Cr6 bearing steel. The projected range (Rp) of xenon ions is 8.2 µm. Fluence-dependent variations in the coefficient of friction and wear of the 100Cr6 steel material have been observed. These changes correlate with shifts in the crystal lattice constant and variations in the oxygen, carbon, and iron content in the wear track. Fluence-dependent changes in these parameters have been observed for the first time. Irradiation reduces stresses in the crystal lattice, leading to crystallite size increase. The modifications in the properties of 100Cr6 steel result from radiation-induced defects caused by electronic ion stopping. The degree of these modifications depends on the applied irradiation fluence. Furthermore, the use of a higher irradiation fluence value appears to mitigate the effects produced by a lower fluence.

2.
Molecules ; 26(16)2021 Aug 20.
Artículo en Inglés | MEDLINE | ID: mdl-34443632

RESUMEN

The ortho-hydroxy aryl Schiff base 2-[(E)-(phenylimino)methyl]phenol and its deutero-derivative have been studied by the inelastic incoherent neutron scattering (IINS), infrared (IR) and Raman experimental methods, as well as by Density Functional Theory (DFT) and Density-Functional Perturbation Theory (DFPT) simulations. The assignments of vibrational modes within the 3500-50 cm-1 spectral region made it possible to state that the strong hydrogen bond in the studied compound can be classified as the so-called quasi-aromatic bond. The isotopic substitution supplemented by the results of DFT calculations allowed us to identify vibrational bands associated with all five major hydrogen bond vibrations. Quasi-isostructural polymorphism of 2-[(E)-(phenylimino)methyl]phenol (SA) and 2-[(E)-(phenyl-D5-imino)methyl]phenol (SA-C6D5) has been studied by powder X-ray diffraction in the 20-320 K temperature range.

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