Isotopic quantum effects in the structure of liquid ethanol

High-energy electromagnetic-radiation-scattering techniques have been used to measure the structural differences between five isotopic samples of ethanol (CH3CH2OH, CD3CD2OD, CD3CH2OH, CH3CH2OD, and CH3CD2OH) at room temperature and ambient pressure. The differences in the X-ray structure factors between several pairs of isotopes, ΔSX(Q), are shown to have maximum amplitudes that are on the order of a few percent compared to the total structure factor for CH3CH2OH. Our uncertainties are an order of magnitude smaller than those of early gamma-ray measurements on methanol (C.J. Benmore and P.A. Egelstaff. J. Phys. Condens. Matter, 8, 9429 (1996)). These studies have shown that isotopic structural differences in room-temperature ethanol vary as a function of substitution site and are in qualitative agreement with similar differences found in liquid methanol. PACS Nos.: 61.20-p, 61.25E, 61.10-E

Anisotropy of Anomalous Scattering: a tool for phase information

Anisotropy of Anomalous Scattering (AAS) is a resonance effect that can occur in the vicinity of an absorption edge of a bonded atom. The description of scattering requires a generalized scattering model showing that, in principle, all single crystal reflections become dependent on the rotation of the crystal about the scattering vector. In addition, it is well known that ’forbidden‘ reflections being systematically extinct in the conventional model can be excited and used to derive information about the absorbing element partial structure. The present contribution suggests for a centrosymmetric structure that also relative total structure factor sign information can be extracted from the intensity variations of allowed central lattice row reflections, provided the resonant scattering partial structure is known.

The structure of molten and glassy 2:1 binary systems: an approach using the Bhatia—Thornton formalism

A systematic analysis of those liquid binary 2:1 systems (denoted MX 2 ), for which experimental partial structure factors are available from the isotopic substitution method in neutron diffraction, is made using the Bhatia-Thornton (BT) formalism.Particular attention is paid to the origin of the first sharp diffraction peak (FSDP ), which occurs in the measured diffraction patterns for some of the MX 2 systems, since it appears, from recent studies, that this feature is a signature of directional bonding. It is found that FSDPS can occur in all three BT partial structure factors S xB (k). A FSDP feature in the concentration-concentration partial structure factor S cc (k) is not, however, pronounced except in the case of MgCl 2 and the glass forming network melts ZnCl 2 and GeSe 2 . To the extent that these systems can be regarded as ionic melts a FSDP in S cc (k) implies a non-uniformity in the charge distribution on the scale of the intermediate-range order (IRO). The structure of molten GeSe 2 is compared with the structures of molten ZnCl 2 , glassy GeS 2 and glassy Si0 2 . Although the GeSe 2 and ZnCl 2 melts have different short-range order, there are similarities in the observed IRO which can be attributed to the arrangement of the electropositive species M. The essential features of the measured total structure factor for glassy GeS 2 can be reproduced by using the molten GeSe 2 S zB (k). This result lends support to the notion that the S zB (k) for liquid GeSe 2 (and ZnCl 2 ) are characteristic of both the liquid and glassy states of other network glass forming systems. The structures of molten GeSe 2 (or ZnCl 2 ) and glassy Si0 2 are, however, found to be different. The observed discrepancies are largest in the region of the FSDP which signifies pronounced differences in the nature of the IRO for these systems.

X-Ray Diffraction Study on the Structure of Molten MgxZn(100 -x)-Alloys

By means of X-ray diffraction in transmission the molten MgxZn(1oo-x)-alloys (x = 0, 8, 15, 30, 40, 50, 60, 70, 73, 80, 90, 100) were investigated and the total structure factor S (Q) , the total pair correlation function, the number of nearest neighbours as well as the atomic distances were evaluated. For 30 ≦ x ≦ 80 a premaximum in S (Q) was observed which is caused by chemical short range order. The comparison of the premaximum of the Mg70Zn30-melt with that of the corresponding amorphous alloy shows that within the melt the chemical short range order amounts to about 40% of that of the amorphous alloy.

Electron-Diffraction Study on an Amorphous Al-V Alloy Produced by Electron Irradiation of Quasicrystalline Al-16 at-%V

Quasicrystalline Al-16 at-%V was transformed to the amorphous state by low-temperature electron irradiation in a high-voltage electron microscope. Electron diffraction experiments were carried out in the amorphous state and in the crystalline state obtained after subsequent heat treatment. From the results the total structure factor was determined. The pair correlation function was calculated which yields the radii of the different coordination spheres and the total coordination number. The results are discussed in terms of current topological models of the structure of metallic glasses.

Structure of Mn-Si-Melts by Means of X-Ray Diffraction

The binary molten alloys Mn74Si26 and Mn33.5Si66.5 have been investigated by means of X-ray diffraction. The total structure factors as well as the total pair correlation functions were evaluated. The interatomic distances and total coordination numbers are given. The structural results for Mn74Si26 were compared to those for amorphous Mn74Si23P3 and for a tetrahedral packing model. A pronounced shoulder on the second maximum of the structure factor, which normally is characteristic for the curves obtained with amorphous substances was observed for the Mn74Si26 melt. With the Mn33.5Si66.5 melt, however, this feature cold not be observed. Since with this concentration no glass forming by melt spinning is possible, a correlation between the shape of the second maximum of a total structure factor and the glass forming ability of the corresponding melt is suggested.

Structure of Ni-B-Melts by Means of X-Ray Diffraction

The structural results for molten Ni81B19 are compared with the structure of a metallic glass which can be obtained at the same composition by rapid quenching the melt within a melt spin equipment. Structural relationship exists between the molten and the amorphous state. This feature follows especially from a marked asymmetry of the second maximum of the structure factor obtained from the melts, to which corresponds the splitting up of the second maximum in the total structure factor of the amorphous specimen. With the Ni53B47- and the Ni43B57 -melts which don't belong to the concentration range of glass-forming Ni-B-melts no peculiarities in the range of the second maximum of the structure factor were observed.