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We outline a strategy for quantitatively evaluating the conformational characteristics of self-assembled structures using the techniques of contrast variation small angle neutron scattering. By means of basis function expansion, a case…

Soft Condensed Matter · Physics 2021-10-27 Albert Y. Ho , Guan-Rong Huang , Wei-Ren Chen

The discovery of inorganic crystal structures with targeted properties is a significant challenge in materials science. Generative models, especially state-of-the-art diffusion models, offer the promise of modeling complex data…

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

Machine Learning · Computer Science 2025-11-26 Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

Coherent elastic neutrino-nucleus scattering (CEvNS) can be used to determine the neutron part of nuclear form factors, unlocking intrinsic properties of nuclear structure. In contrast with other such methods, CEvNS is free from both strong…

Instrumentation and Detectors · Physics 2018-08-20 Emilio Ciuffoli , Jarah Evslin , Qiang Fu , Jian Tang

Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defects can also lead to novel electronic properties in…

Materials Science · Physics 2021-01-26 Jon Gabriel Goiri , Anton Van der Ven

The Fusion Evaluated Nuclear Data Library (FENDL) is a comprehensive and validated collection of nuclear cross section data coordinated by the International Atomic Energy Agency (IAEA) Nuclear Data Section (NDS). FENDL assembles the best…

Neutron Resonance Transmission Analysis (NRTA) uses resonant absorption of neutrons to infer the absolute isotopic composition of a target object, enabling applications in a broad range of fields such as archaeology, materials analysis of…

Instrumentation and Detectors · Physics 2020-01-29 Ezra M. Engel , Ethan A. Klein , Areg Danagoulian

Yamdb (Yet another materials data base) addresses the need to provide thermophysical properties of liquid metals and molten salts in an easily accessible manner. Mathematical relations describing material properties - usually determined by…

Materials Science · Physics 2024-02-20 Tom Weier , William Nash , Paolo Personnettaz , Norbert Weber

We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…

Materials Science · Physics 2023-11-07 Firat Yalcin , Michael Wolloch

Diffuse scattering around the (110) reciprocal lattice point has been investigated by elastic neutron scattering in the paraelectric and the relaxor phases of the disordered complex perovskite crystal-Pb(Zn1/3Nb2/3)O3(PZN). The appearance…

Materials Science · Physics 2009-11-07 D. La-Orauttapong , J. Toulouse , J. L. Robertson , Z. -G. Ye

The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…

Computational Physics · Physics 2021-05-31 Daniel Schick

We have investigated solid oxygen as a converter material for the production of ultra-cold neutrons. In a first series of experiments the crystal preparation was examined. An optically semi-transparent solid $\alpha$-oxygen crystal has been…

Nuclear Experiment · Physics 2011-07-12 A. Frei , F. Böhle , R. Bozhanova , E. Gutsmiedl , T. Huber , J. Klenke , S. Paul , S. Wlokka

NuWro Monte Carlo generator of events is presented. It is a numerical environment containing all necessary ingredients to simulate interactions of neutrinos with nucleons and nuclei in realistic experimental situation in wide neutrino…

High Energy Physics - Phenomenology · Physics 2016-01-20 Jakub Zmuda , Krzysztof M. Graczyk , Cezary Juszczak , Jan T. Sobczyk

Ultracold neutrons (UCNs) were produced in a 4 liter volume of superfluid helium using the PF1B cold neutron beam facility at the Institut Laue-Langevin and then extracted to a detector at room temperature. With a converter temperature of…

Instrumentation and Detectors · Physics 2016-02-23 K. K. H. Leung , S. Ivanov , F. M. Piegsa , M. Simson , O. Zimmer

The temperature driven segregation of Cr to the surface of the tungsten-based WCrY alloy is analysed with low energy ion scattering of He+ ions with an energy of 1 keV in the temperature range from room temperature to 1000 K. Due to the…

Materials Science · Physics 2020-03-09 Hans Rudolf Koslowski , Janina Schmitz , Christian Linsmeier

The Japan Proton Accelerator Research Complex (J-PARC) currently delivers a 1 MW, 3 GeV proton beam to the Materials and Life Science Experimental Facility (MLF). Power is expected to increase to 1.3 MW, driven by the needs of…

We present a thermodynamically consistent theoretical framework for lyotropic liquid crystals (LCs) based on the GENERIC (General Equation for the Non-Equilibrium Reversible-Irreversible Coupling) formalism. This formalism ensures…

Soft Condensed Matter · Physics 2025-12-03 Jonathan Salmerón-Hernández , Pablo Zubieta-Rico , Juan de Pablo

A cryogenic apparatus is described that enables a new experiment, nEDM@SNS, with a major improvement in sensitivity compared to the existing limit in the search for a neutron Electric Dipole Moment (EDM). It uses superfluid $^4$He to…

We present a first exploration of the results of neutron star-black hole mergers using black hole masses in the most likely range of $7M_\odot-10M_\odot$, a neutrino leakage scheme, and a modeling of the neutron star material through a…

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