نتایج جستجو برای: neutron diffraction analysis
تعداد نتایج: 2907556 فیلتر نتایج به سال:
Neutron diffraction analysis was employed to measure residual stresses near welds in used anhydrous ammonia nurse tanks. Tensile residual stresses contribute to stress corrosion cracking of nurse tanks, which can cause tanks to release toxic ammonia vapor. The analysis showed that tensile residual stresses were present in the tanks measured, and the magnitudes of these stresses approached the y...
Advances made over the past decade in structure determination from powder diffraction data are reviewed with particular emphasis on algorithmic developments and the successes and limitations of the technique. While global optimization methods have been successful in the solution of molecular crystal structures, new methods are required to make the solution of inorganic crystal structures more r...
Neutron diffraction with H/D isotopic substitution is used to investigate the structure of low density amorphous ice produced from (1) high density amorphous ice by isobaric warming and (2) very high density amorphous ice by isothermal decompression. Differences are found in the scattering patterns of the two low density amorphous ices that correlate with structural perturbations on intermediat...
We perform an extensive study of Sr_{3}Cr_{2}O_{7}, the n=2 member of the Ruddlesden-Popper Sr_{n+1}Cr_{n}O_{3n+1} system. An antiferromagnetic ordering is clearly visible in the magnetization and the specific heat, which yields a huge transition entropy, Rln(6). By neutron diffraction as a function of temperature we have determined the antiferromagnetic structure that coincides with the one ob...
The commensurate and incommensurate magnetic structures of the magnetoelectric system YMn2O5, as determined from neutron diffraction, were found to be spin-density waves lacking a global center of symmetry. We propose a model, based on a simple magnetoelastic coupling to the lattice, which enables us to predict the polarization based entirely on the observed magnetic structure. Our data accurat...
The structures of both known forms of the polymorphic material ortho-acetamidobenzamide, C(9)H(10)N(2)O(2), have been determined by low-temperature neutron single-crystal diffraction. Neutron diffraction allows the full description of the H-atom positions in this molecular material, which is vital in benchmarking related crystal-structure predictions. Significant conformational differences are ...
The crystal structure of the high temperature phase of anilinium bromide, CeH5NH3®Br , was studied by X-ray and neutron diffraction at T = 343 K . The refinement supports disordered positions of the —NH3® group. A split-atom model is proposed which includes disorder of the benzene ring. The thermal parameters, hydrogen bond distances, and other experimental data (NMR, N Q R , inelastic neutron ...
Neutron diffraction is the method of choice when locating chemically interesting hydrogen atoms, particularly in systems containing a heavy metal. In this article, two fascinating complexes containing hydrogen atoms that were unambiguously located with neutron diffraction will be highlighted. The first complex, OsH3Cl(PPh3)3, is a Kubas-type complex containing a rare elongated dihydrogen ligand...
High oxygen conductivities can be achieved in cation ordered LnxZrl_=O2_l x (Ln=Gd, Nd) solid solutions with pyrochlore (P) structure. High values of the pre-exponentlal factor °o are correlated with the degree of anion disorder in the 8b oxygen sublattice (neutron diffraction). The activation energy AH is lowered by cation ordering (F-P transition; effect of x) due to the occurence of a prefer...
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