相关论文: A method for diffraction-based identification of a…
Possible crystalline modifications of chemical compounds at low temperatures correspond to local minima of the energy landscape. Determining these minima via simulated annealing is one method for the prediction of crystal structures, where…
Neutron reflectometry is a critical tool for investigating the structure of thin films and interfaces. However, the misapplication of the Born approximation to reflection geometry leads some to assume that the minimum thickness that may be…
The Bayesian approach for feed-forward neural networks has been applied to the extraction of the nucleon axial form factor from the neutrino-deuteron scattering data measured by the Argonne National Laboratory (ANL) bubble chamber…
Amorphous silicon (a-Si) models are analyzed for structural, electronic and vibrational characteristics. Several models of various sizes have been computationally fabricated for this analysis. It is shown that a recently developed…
We report density functional study of alternate fullerene-like cage structures and finite closed capped single-wall nanotubes of aluminum nitride. The cages and nanotubes studied are modeled as Al24N24, Al28N28, Al32N32, Al36N36, Al48N48,…
(short version) Accurate determination of the coherent static structure factor of disordered materials containing proton nuclei is prohibitively difficult by neutron diffraction, due to the large incoherent cross section of $^1$H. This…
Atomic-resolution scanning transmission electron microscopy (STEM) characterization requires precise tilting of the specimen to high symmetric zone axis, which is usually processed in reciprocal space by following the diffraction patterns.…
Scatterometry is a tested method for measuring periodic semiconductor structures. Since the sizes of modern semiconductor structures have reached the nanoscale regime, the challenge is to determine the shape of periodic nanostructures with…
Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…
Direct electron detectors in scanning transmission electron microscopy give unprecedented possibilities for structure analysis at the nanoscale. In electronic and quantum materials, this new capability gives access to, for example, emergent…
We report neutron powder diffraction measurements on a series of NaxCoO2 samples with x near 0.75 which were prepared under different synthesis conditions. Two different crystal structures for the samples are observed at room temperature.…
Previously reported crystalline structures obtained by an iterative phase retrieval reconstruction of their diffraction patterns seem to be free from displaying any irregularities or defects in the lattice, which appears to be unrealistic.…
Based on the third allotropic form of carbon (Fullerenes) through theoretical study have been predicted structures described as non-classical fullerenes. We have studied novel allotropic carbon structures with a closed cage configuration…
We present a model independent approach for the reconstruction of the atomic concentration profile in a nanoscale layered structure, as measured using the X-ray fluorescence yield modulated by an X-ray standing wave (XSW). The approach is…
The magnetic structure of RuO2 and the Ru atomic configuration are unknown. A magnetic structure is inferred by confronting measured and calculated Bragg diffraction patterns and adjusting the latter to achieve satisfactory agreement. An…
A neutron powder diffraction study has been carried out on Pb(Zr0.52Ti0.48)O3 in order to resolve an ongoing controversy about the nature of the low-temperature structure of this strongly-piezoelectric and technologically-important…
Thin films of iron and permalloy Ni80Fe20 were prepared using an Ar+N2 mixture with magnetron sputtering technique at ambient temperature. The nitrogen partial pressure, during sputtering process was varied in the range of 0 to 100%,…
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…
Well-known Kato's theory of the Laue diffraction of spherical x-ray waves is generalized to the case of the neutron diffraction in strongly absorbing crystals, taking into consideration both the potential and the resonant scattering of…
Structural rearrangement of polystyrene colloidal crystals under dry sintering conditions has been revealed by in situ grazing incidence X-ray scattering. Measured diffraction patterns were analysed using distorted wave Born approximation…