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Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…

The influence of fast neutron irradiation on the structure and spatial distribution of Ge nanocrystals (NC) embedded in an amorphous SiO2 matrix has been studied. The investigation was conducted by means of laser Raman Scattering (RS), High…

介观与纳米尺度物理 · 物理学 2010-11-18 S. Levy , I. Shlimak , D. H. Dressler , J. Grinblat , Y. Gofer , T. Lu , A. N. Ionov

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…

Distributions of inelastically scattered neutrons can be quantum dynamically described by a scattering kernel. We present an accurate and computationally efficient rejection method for sampling a given scattering kernel of any isotropic…

计算物理 · 物理学 2019-02-20 X. X. Cai , T. Kittelmann , E. Klinkby , J. I. Márquez Damián

A few atomic layers of helium adsorbed on graphite have been attracting much attention as one of the ideal quantum systems in two dimension. Although previous reports on neutron diffraction have shown fundamental structural information in…

The structural, magnetic and resistive properties of (La1-yYy)FeAsO compounds (y = 0.10, 0.20, 0.30) have been investigated by means of X-ray and neutron powder diffraction as well as by resistivity measurements. The temperatures at which…

材料科学 · 物理学 2015-05-14 A. Martinelli , A. Palenzona , M. Tropeano , C. Ferdeghini , M. R. Cimberle , C. Ritter

The ability to non-destructively measure the structural properties of devices, either in situ or operando, are now possible using an intense X-ray synchrotron source combined with specialized equipment. This tool attracted researchers, in…

The spherically averaged structure function $\soq$ obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of $\soq$ to real space, as is done in…

材料科学 · 物理学 2016-08-31 D. A. Dimitrov , D. Louca , H. Röder

Fabricating patterned nanostructures with matter waves can help to realise new nanophotonic devices. However, due to dispersion effects, designing patterns with nanoscale features is challenging. Here, we consider the propagation of a…

Small-angle neutron and X-ray scattering, neutron backscattering and neutron time-of-flight spectroscopy are applied to reveal the structure of the ligand shell, the temperature-dependent diffusion properties and the phonon spectrum of PbS…

Estimating composition dependent diffusion coefficients in multicomponent alloys was a longstanding challenge due to limitations in experimental methods. In this study, we have first demonstrated a strategic design of producing only three…

材料科学 · 物理学 2025-06-17 Suman Sadhu , Saswata Bhattacharyya , Aloke Paul

The microscopic structure of two amorphous materials with extreme nonlinear optical properties has been studied. One of these materials exhibits second harmonic generation, while another material of similar molecular structure emits…

Here we explore the use of scanning electron diffraction coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order as a function of position in a complex multicomponent system, a hot rolled,…

The crystal structure of Na0.5CoO2, determined by powder neutron diffraction, is reported. The structure consists of layers of edge-shared CoO6 octahedra in a triangular lattice, with Na ions occupying ordered positions in the interleaving…

强关联电子 · 物理学 2009-11-10 Q. Huang , M. L. Foo , J. W. Lynn , H. W. Zandbergen , G. Lawes , Yayu Wang , B. H. Toby , A. P. Ramirez , N. P. Ong , R. J. Cava

Nominally anhydrous minerals (NAMs) composing Earth's and planetary rocks incorporate microscopic amounts of volatiles. However, volatile distribution in NAMs and their effect on physical properties of rocks remain controversial. Thus,…

地球物理 · 物理学 2024-04-25 Yunhua Fu , Renbiao Tao , Lifei Zhang , Shijie Li , Ya-Nan Yang , Dehan Shen , Zilong Wang , Thomas Meier

The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…

材料科学 · 物理学 2024-10-31 Abhijith S. Parackal , Rhys E. A. Goodall , Felix A. Faber , Rickard Armiento

A tagged medium-energy neutron beam has been used in a precise measurement of the absolute differential cross section for np back-scattering. The results resolve significant discrepancies within the np database concerning the angular…

Diffraction of atoms from surfaces provides detailed insights into structures, interactions, and dynamical processes. However, currently the method is limited to measurements in reflection - diffraction through materials has only been…

We investigate experimentally the diffraction of fast atoms of noble gas on a LiF(100) crystal oriented along the [100] and [110] directions. The wavelengths are so short that the observed quantum features are qualitatively described by…

原子物理 · 物理学 2025-10-14 Debiossac Maxime , Pan Peng , Kanitz Carina , Roncin Philippe

The anisotropic nature of active galactic nuclei (AGN) is thought to be responsible for the observational differences between type-1 (pole-on) and type-2 (edge-on) nearby Seyfert-like galaxies. In this picture, the detection of emission…

星系天体物理 · 物理学 2014-04-10 F. Marin