Diffraction experiments neutron

The structure of a fluid is characterized by the spatial and orientational correlations between atoms and molecules detemiiued through x-ray and neutron diffraction experiments. Examples are the atomic pair correlation fiinctions (g, g. . ) in liquid water. An important feature of these correlation functions is that... 

The correlation functions provide an alternate route to the equilibrium properties of classical fluids. In particular, the two-particle correlation fimction of a system with a pairwise additive potential detemrines all of its themiodynamic properties. It also detemrines the compressibility of systems witir even more complex tliree-body and higher-order interactions. The pair correlation fiinctions are easier to approximate than the PFs to which they are related they can also be obtained, in principle, from x-ray or neutron diffraction experiments. This provides a useful perspective of fluid stmcture, and enables Hamiltonian models and approximations for the equilibrium stmcture of fluids and solutions to be tested by direct comparison with the experimentally detennined correlation fiinctions. We discuss the basic relations for the correlation fiinctions in the canonical and grand canonical ensembles before considering applications to model systems. 

In a sense, a superconductor is an insulator that has been doped (contains random defects in the metal oxide lattice). Some of the defects observed via neutron diffraction experiments include metal site substitutions or vacancies, and oxygen vacancies or interstituals (atomic locations between normal atom positions). Neutron diffraction experiments have been an indispensable tool for probing the presence of vacancies, substitutions, or interstituals because of the approximately equal scattering power of all atoms. 

Bowron et al. [11] have performed neutron diffraction experiments on 1,3-dimethylimidazolium chloride ([MMIM]C1) in order to model the imidazolium room-temperature ionic liquids. The total structure factors, E(Q), for five 1,3-dimethylimidazolium chloride melts - fully probated, fully deuterated, a 1 1 fully deuterated/fully probated mixture, ring deuterated only, and side chain deuterated only - were measured. Figure 4.1-4 shows the probability distribution of chloride around a central imidazolium cation as determined by modeling of the neutron data. 

Without any doubt, the zeolite framework porous characteristics (micropores sizes and topology) largely govern the zeolite properties and their industrial applications. Nevertheless for some zeolite uses, as for instance, host materials for confined phases, the zeolite inner surface characteristics should be precised to understand their influence on such low dimensionality sorbed systems. In that paper, we present illustrative examples of zeolite inner surface influence on confined methane phases. Our investigation extends from relatively complex zeolite inner surface types (as for MOR structural types) to the model inner surface ones (well illustrated by the AFI zeolite type). Sorption isotherm measurements associated with neutron diffraction experiments are used in the present study. 

Figure 10. Methane calibration sorption isotherm measured at T = 78 K during the neutron diffraction experiment.

In the neutron diffraction experiments of Wenzel, Linderstrom-Lang, and Rice (WLR) ) the sample was prepared by vapor deposition at a rate of 10 mg/hour on a cadmium substrate maintained at a temperature of about 7 K. 

At the time the neutron diffraction experiments were carried out it was not known that there are two forms of amorphous solid water. Consequently, although the deposition system was designed to ensure elimination of crystalline ice in the sample, neither the geometry nor the deposition rate were the same as used in the X-ray experiments of Narten, Venkatesh and Rice 7>27>. We shall argue below that although the substrate temperature used by WLR was low, their data are only consistent with diffraction from high temperature low density D20(as). 

The above results also explain the pressure dependence of Tc, which has been observed by neutron diffraction experiments [14-16]. With increasing pressure the proton-proton site separation decreases, which implies a decrease of C and a decrease in Tc in agreement with experiments. 

No publications relating to neutron diffraction experiments were found. 

Most of the devices presented in this discussion could be used in both X-ray or neutron diffraction experiments, though taking into account that neutron diffraction measurements are typically longer and carried out on larger samples. 

Using unpolarized neutrons, q p averages to zero and the study of the elastic magnetic cross section p q allows, in principle, to determine the magnetic structure. However, this determination may not be complete (for example the phase between the different harmonics cannot be determined from neutron diffraction experiments). Different magnetic structures, with different domain population may also lead to the same... 

The amount and positions (atomic locations) of oxygen atoms in the superconductors are highly critical and determine the properties of the superconductor. The oxygen vacancies (or deficiency) can be ordered in these materials. Neutron-diffraction experiments were required to determine the population parameters and the atomic positions of oxygen in these structures. The superconducting transition temperature in these "ceramic" oxides is a critical balance between the oxygen content and a proper mix of Cu2+ and Cus+ ions generated in the anneal or post-heat treatment. 

The structural determination of Ba CugO for 6.8 < x < 7.0, was completed in several laboratories by Rietveld analysis of powder neutron d iffraction data (10-15). The neutron diffraction experiments confirmed the space group Pmmm and the main structural features found by x-rays by Siegriest et al. (7), but revealed that some of the oxygen assignments made in the x-ray studies were not entirely correct. The refined structural parameters obtained in four of these... 

The defect structure of Fei O with the NaCl-type structure had been estimated to be a random distribution of iron vacancies. In 1960, Roth confirmed, by powder X-ray diffraction, that the defect structure of wiistite quenched from high temperatures consists of iron vacancies (Vp ) and interstitial iron (Fcj) (there are about half as many FCj as Vpe). This was a remarkable discovery in the sense that it showed that different types of crystal defects with comparable concentrations are able to exist simultaneously in a substance, Roth also proposed a structure model, named a Roth cluster, shown in Fig. 1.84. Later this model (defect complex = vacancy -F interstitial) was verified by X-ray diffraction on a single crystal and also by in-situ neutron diffraction experiments. Moreover, it has been shown that the defect complex arranges regularly and results in a kind of super-structure, the model structure of which (called a Koch-Cohen model) is shown in Fig. 1.85 together with the basic structures (a) and (b). 

Figure 7. The two analogous Ni H fragments (a and b) in [P/i4P]2+-[Ni 2(CO)2 H2]2 (3), and the Ni H fragment (c) in [Ph4As]3+-[Nii2(CO)2itf]3-.Me2CO (4), showing hydrogen atoms in the octahedral interstices. The mean Ni-H distances and 20% isotropic thermal ellipsoids of nuclear motion were obtained from the neutron diffraction experiments.

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