Structure of amorphous GeSe9 by neutron diffraction and first-principles molecular dynamics: Impact of trajectory sampling and size effects
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In this work, a flexible metal-org. framework (MOF) (nickname BPene), [Ni'(L)Ni(CN)4]n (L=1,2-bis(4-pyridyl)-ethylene) that shows reversible structural transitions between low porosity and high porosity phases during the adsorption and desorption of CO2 ha ...
The comparable order of magnitude between interatomic distances in a crystal and the wavelength of X-rays make X-ray crystallography the ideal analytical tool to gain insight into the structure of crystalline material, including biomolecules. Nevertheless, ...
Protein powder diffraction is shown to be suitable for obtaining de novo solutions to the phase problem at low resolution via phasing methods such as the isomorphous replacement method. Two heavy-atom derivatives (a gadolinium derivative and a holmium deri ...
A novel lithium zinc niobium oxide LiZnNb4O11.5 (LZNO) has been found in the Nb-rich part of Li2O–ZnO–Nb2O5 system. LZNO, with an original a-PbO2 related structure, has been synthesized by the routine ceramic technique and characterized by X-ray diffractio ...
Odd-order diffraction of zone plates (ZPs) is already used for x-ray microscopy but the potential offered by even-order diffraction must still be fully exploited. Width differences between lines and interline spaces transfer intensity from odd-order to eve ...
Neutron diffraction is a technique often used for the non-destructive characterization of residual stresses in engineering materials and components. Measuring stresses within partially hollow objects with complex internal geometry however is challenging du ...
Increasingly, uncertainties are explicitly considered for important engineering tasks. Often, little case-specific information is available for characterizing these uncertainties. Uniform distributions are an easy way to describe errors in absence of more ...
We report on maximum entropy method study of the experimental atomic and ionic charges of LiBD4 in its low-temperature orthorhombic phase. Synchrotron radiation x-ray powder diffraction data, neutron powder diffraction data, and density functional calculat ...
In the current trend toward thicker aluminium plates, a major concern is the generation of high internal stresses during quenching, which can cause distortions during machining and pose serious safety concerns. Although the material is stretched after quen ...
