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Structure and dynamics at soft-matter interfaces play an important role in nature and technical applications. Optical single-molecule investigations are non-invasive and capable to reveal heterogeneities at the nanoscale. In this work we…

Energies of a certain class of fullerene molecules (elongated, contracted, and regular icosahedral fullerenes) are numerically calculated using a microscopic description of carbon-carbon bonding. It is shown how these results can be…

Soft Condensed Matter · Physics 2009-11-11 Antonio Siber

Macroscopic fibres of carbon nanotubes are hierarchical structures combining long building blocks preferentially oriented along the fibre axis and a large porosity arising from the imperfect packing of bundles. Synchrotron small-angle X-ray…

We apply a recently developed technique utilizing machine learning for statistical analysis of computational nitrogen K-edge spectra of aqueous triglycine. This method, the emulator-based component analysis, identifies spectrally relevant…

Soft Condensed Matter · Physics 2024-02-14 Eemeli A. Eronen , Anton Vladyka , Florent Gerbon , Christoph. J. Sahle , Johannes Niskanen

Thin film metallic glasses undergoing devitrification can form partially crystallized or fully crystallized materials with novel structural and magnetic properties. The development of desired and tunable properties of such systems drives…

Materials Science · Physics 2022-10-20 Debarati Bhattacharya , Nidhi Tiwari , P. S. R. Krishna , Dibyendu Bhattacharyya

The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept…

Atomic and Molecular Clusters · Physics 2015-12-15 Tatiana Latychevskaia , Jean-Nicolas Longchamp , Conrad Escher , Hans-Werner Fink

This work presents a methodology to the morphology analysis and characterization of nanostructured material images acquired from FEG-SEM (Field Emission Gun-Scanning Electron Microscopy) technique. The metrics were extracted from the image…

Data Analysis, Statistics and Probability · Physics 2015-06-12 João B. Florindo , Mariana S. Sikora , Ernesto C. Pereira , Odemir M. Bruno

We report a single-crystal neutron diffraction study of the layered $\rm Sr_2IrO_4$. This work unambiguously determines the magnetic structure of the system and reveals that the spin orientation rigidly tracks the staggered rotation of the…

Strongly Correlated Electrons · Physics 2013-04-23 Feng Ye , Songxue Chi , Bryan C. Chakoumakos , Jaime A. Fernandez-Baca , Tongfei Qi , G. Cao

In this paper, we study the mathematical imaging problem of diffraction tomography (DT), which is an inverse scattering technique used to find material properties of an object by illuminating it with probing waves and recording the…

Numerical Analysis · Mathematics 2023-05-16 Florian Faucher , Clemens Kirisits , Michael Quellmalz , Otmar Scherzer , Eric Setterqvist

A finite element-based modal formulation of diffraction of a plane wave by an absorbing photonic crystal slab of arbitrary geometry is developed for photovoltaic applications. The semi-analytic approach allows efficient and accurate…

Atomic structure of single-crystalline black phosphorus was studied by high resolution synchrotron-based photoelectron diffraction (XPD). The results show that the topmost phosphorene layer in the black phosphorus is slightly displaced…

Materials Science · Physics 2016-02-03 Luis Henrique de Lima , Lucas Barreto , Richard Landers , Abner de Siervo

The local structure in high temperature superconductors is nowadays considered a key point for understanding superconductivity mechanism. MgB2 has a well-known simple structure; but its local structure remains quite unexplored. This is due…

Superconductivity · Physics 2012-05-04 G. Campi , A. Ricci , A. Bianconi

We present helium atom micro-diffraction as an ideal technique for characterization of 2D materials due to its ultimate surface sensitivity combined with sub-micron spatial resolution. Thermal energy neutral helium scatters from the valence…

Diffraction Anomalous Fine Structure (DAFS) spectroscopy uses resonant elastic x-rays scattering as an atomic, shell and site selective probe that gives information on the electronic structure and the local atomic environment as well as on…

Condensed Matter · Physics 2007-05-23 H. Renevier , S. Grenier , S. Arnaud , J. F. Berar , B. Caillot , J. L. Hodeau , A. Letoublon , M. G. Proietti , B. Ravel

We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered as a population of subgrains and grains whose sizes and…

Materials Science · Physics 2021-02-22 Arthur Després , Jean-Denis Mithieux , Chad. W. Sinclair

An inverse scattering problem is formulated for reconstructing optical properties of biological tissues. A recursive linearization algorithm is used to solve the inverse scattering problem. We employed the idea of finite element boundary…

Numerical Analysis · Mathematics 2014-04-30 Ying Li

Conventional X-ray methods use incoming plane waves and result in discrete diffraction patterns when scattered at crystals. Here we find, by a systematic method, incoming waveforms which exhibit discrete diffraction patterns when scattered…

Optics · Physics 2015-06-16 Gero Friesecke , Richard D. James , Dominik Jüstel

The scattering length density profile for a thin film structure can be determined uniquely if both modulus and phase of the reflection coefficient is known. Here, we describe a method for recovering the phase information which utilize a…

Materials Science · Physics 2009-11-10 S. Farhad Masoudi

Inverse scattering is the process of estimating the spatial distribution of the scattering potential of an object by measuring the scattered wavefields around it. In this paper, we consider reflection tomography of high contrast objects…

Signal Processing · Electrical Eng. & Systems 2020-12-17 Ajinkya Kadu , Hassan Mansour , Petros T. Boufounos

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek
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