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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…

Materials Science · Physics 2016-08-31 D. A. Dimitrov , D. Louca , H. Röder

Studies have shown that standard lectures and instructional laboratory experiments are not effective at teaching interference and diffraction. In response, the author created an interactive computer program that simulates interference and…

Physics Education · Physics 2015-06-11 Leon Maurer

A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…

Computational Physics · Physics 2024-11-01 Gabe Guo , Tristan Saidi , Maxwell Terban , Michele Valsecchi , Simon JL Billinge , Hod Lipson

Measurements of the reactor antineutrino flux and spectrum compared to model predictions have revealed an apparent deficit in the interaction rates of reactor antineutrinos and an unexpected spectral deviation. PROSPECT, the Precision…

Instrumentation and Detectors · Physics 2015-11-03 Karin Gilje

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…

Data Analysis, Statistics and Probability · Physics 2013-01-22 Taha Sochi

The NCrystal library provides a range of models for simulation of both elastic and inelastic scattering of thermal neutrons in a range of material structures. This article presents the available models for elastic scattering, and includes…

Computational Physics · Physics 2021-07-28 Thomas Kittelmann , Xiao-Xiao Cai

Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…

Materials Science · Physics 2018-12-21 Joseph A. M. Paddison

Magnetic diffuse scattering -- the broad magnetic scattering features observed in neutron-diffraction data above a material's magnetic ordering temperature -- provides a rich source of information about the material's magnetic Hamiltonian.…

Strongly Correlated Electrons · Physics 2022-10-18 Joseph A. M. Paddison

This article presents a measurement technique and data analysis tool to perform 3D grain distribution mapping and indexing of oligocrystalline samples using neutrons: Laue three-dimensional neutron diffraction (Laue3DND). The approach…

We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated…

Reflection high-energy electron diffraction (RHEED) is a powerful tool for characterizing crystal surface structures. However, the setup geometry leads to distorted and complicated patterns, which are not straightforward to link to the…

Materials Science · Physics 2022-08-25 Chong Liu , Kai Chang , Ke Zou

We describe the design and current performance of the high-flux backscattering spectrometer located at the NIST Center for Neutron Research. The design incorporates several state-of-the-art neutron optical devices to achieve the highest…

Materials Science · Physics 2009-11-07 A. Meyer , R. M. Dimeo , P. M. Gehring , D. A. Neumann

The age of exascale computing has arrived and the risks associated with neutron and other atmospheric radiation are becoming more critical as the computing power increases, hence, the expected Mean Time Between Failures will be reduced…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-16 Hernán Asorey , Rafael Mayo-García

The high-intensity time-of-flight neutron diffractometer POWTEX for powder and texture analysis is currently being built to be operated in the eastern guide hall of the research reactor FRM II near Munich. Having heavily faced the…

Instrumentation and Detectors · Physics 2021-11-01 Andreas Houben , Philipp Jacobs , Yannick Meinerzhagen , Noah Nachtigall , Richard Dronskowski

Quantum materials research requires co-design of theory with experiments and involves demanding simulations and the analysis of vast quantities of data, usually including pattern recognition and clustering. Artificial intelligence is a…

Other Condensed Matter · Physics 2021-11-01 A. M. Samarakoon , D. Alan Tennant , Feng Ye , Qiang Zhang , S. A. Grigera

Nuclear fission reactors are abundant sources of antineutrinos. The flux and spectrum of antineutrinos emitted by a reactor can indicate its activity and composition, suggesting potential applications of neutrino measurements beyond…

Building a new generation of fission reactors in the United States presents many technical and regulatory challenges. One important challenge is the need to share and present results from new high-fidelity, high-performance simulations in…

Computational Engineering, Finance, and Science · Computer Science 2014-07-11 Jay Jay Billings , Jordan H. Deyton , S. Forest Hull , Eric J. Lingerfelt , Anna Wojtowicz

PROSPECT, the Precision Reactor Oscillation and Spectrum Experiment, will use two segmented detectors positioned 7-20 m from the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory to measure the U-235 antineutrino spectrum…

Instrumentation and Detectors · Physics 2019-08-13 Danielle Norcini

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory is a pulsed source of neutrons and, as a byproduct of this operation, an intense source of pulsed neutrinos via stopped-pion decay. The COHERENT collaboration uses this…