Related papers: kikuchipy: an open-source toolbox for analysis of …
The open-source python package diffpy.mpdf, part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package…
In this paper, we have analysed the depth resolution that can be achieved by on-axis transmission Kikuchi diffraction (TKD) using a Zr-Nb alloy. The results indicate that the signals contributing to detectable Kikuchi bands originate from a…
In silico materials design is hampered by the computational complexity of Kohn-Sham DFT, which scales cubically with the system size. Owing to the development of new-generation kinetic energy density functionals (KEDFs), orbital-free DFT…
We present a methodology for in situ Transmission Kikuchi Diffraction (TKD) tensile testing that enables nanoscale characterization of the evolution of complex plasticity mechanisms. By integrating a modified in situ scanning electron…
We present here a reverse engineering tool that can be used for information retrieval and anti-malware techniques. Our main contribution is the design and implementation of an instrumentation framework aimed at providing insight on the…
The design of novel materials hinges on the understanding of structure-property relationships. However, in recent times, our capability to synthesize a large number of materials has outpaced our speed at characterizing them. While the…
In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…
Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…
Models used for control design are, to some degree, uncertain. Model uncertainty must be accounted for to ensure the robustness of the closed-loop system. $\mu$-analysis and $\mu$-synthesis methods allow for the analysis and design of…
Accurate quantification of the energy distribution of backscattered electrons (BSEs) contributing to electron backscatter diffraction (EBSD) patterns remains as an active challenge. This study introduces an energy-resolved EBSD methodology…
X-ray ptychography imaging at synchrotron facilities like the Advanced Photon Source (APS) involves controlling instrument hardwares to collect a set of diffraction patterns from overlapping coherent illumination spots on extended samples,…
In the era of gravitational-wave astronomy, general-relativistic simulations of compact objects play a role of paramount importance. These calculations can be performed with the Einstein Toolkit, an open-source and community-supported…
We present PyOECP, a Python-based flexible open-source software for estimating and modeling the complex permittivity obtained from the open-ended coaxial probe (OECP) technique. The transformation of the measured reflection coefficient to…
We present a Python toolbox for holographic and tomographic X-ray imaging. It comprises a collection of phase retrieval algorithms for the deeply holographic and direct contrast imaging regimes, including non-linear approaches and extended…
We present the first public release of ShapePipe, an open-source and modular weak-lensing measurement, analysis, and validation pipeline written in Python. We describe the design of the software and justify the choices made. We provide a…
We present a next-generation version of EDIpack, a flexible, high-performance numerical library using Lanczos-based exact diagonalization to solve generic quantum impurity problems, such as those introduced in Dynamical Mean-Field Theory to…
Python is a particularly appealing language to carry out data analysis, owing in part to its user-friendly character as well as its access to well maintained and powerful libraries like NumPy and SciPy. Still, for the purpose of analyzing…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework allows users to construct, manipulate, and evolve multipartite quantum systems that consist of spins and electronic…
The recently upgraded DMC diffractometer at SINQ, equipped with a state-of-the-art 2D He detector, enables high-resolution neutron diffraction experiments optimized for both powder and single-crystal studies. To address the increased…