M. Krzystyniak
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View article: Thermal neutron cross sections of aluminum and magnesium fluorides and quantum kinetic energy of fluorine
Thermal neutron cross sections of aluminum and magnesium fluorides and quantum kinetic energy of fluorine Open
We provide the modeling and experimental validation of thermal neutron cross sections, including scattering and absorption contributions, of aluminum fluoride and magnesium fluoride, as well as MgF2–AlF3 and AlF3–LiF mixtures, in the neutr…
View article: Use of CR-39 Dosimeters for the Imaging of Neutron Beam Profiles in the 100 keV–10 MeV Energy Range
Use of CR-39 Dosimeters for the Imaging of Neutron Beam Profiles in the 100 keV–10 MeV Energy Range Open
We provide a beam shape characterization of the VESUVIO spectrometer, at the ISIS Neutron and Muon Source, employing CR-39 solid-state nuclear track detectors and combining techniques including optical and electron microscopy, as well as M…
View article: Porosity in Nuclear Graphite and its Impact on Nuclear Reactor Science and Criticality Safety Applications
Porosity in Nuclear Graphite and its Impact on Nuclear Reactor Science and Criticality Safety Applications Open
View article: Thermal cross section of poly(2-hydroxyethyl methacrylate) hydrogels for neutron dose calculation
Thermal cross section of poly(2-hydroxyethyl methacrylate) hydrogels for neutron dose calculation Open
View article: Development of a multi-layer high-efficiency GEM-based neutron detector for spallation sources
Development of a multi-layer high-efficiency GEM-based neutron detector for spallation sources Open
View article: Structural and Dynamical Effects of the CaO/SrO Substitution in Bioactive Glasses
Structural and Dynamical Effects of the CaO/SrO Substitution in Bioactive Glasses Open
Silicate glasses containing silicon, sodium, phosphorous, and calcium have the ability to promote bone regeneration and biodegrade as new tissue is generated. Recently, it has been suggested that adding SrO can benefit tissue growth and si…
View article: Non-invasive detection of hazardous materials with a thermal-to-epithermal neutron station: a feasibility study towards practical application
Non-invasive detection of hazardous materials with a thermal-to-epithermal neutron station: a feasibility study towards practical application Open
The growing scale of the devastation that even a single terrorist attack can cause requires more effective methods for the detection of hazardous materials. In particular, there are no solutions for effectively monitoring threats at sea, b…
View article: Comprehensive Analysis of Methyl-β-<scp>D</scp>-ribofuranoside: A Multifaceted Spectroscopic and Theoretical Approach
Comprehensive Analysis of Methyl-β-<span>D</span>-ribofuranoside: A Multifaceted Spectroscopic and Theoretical Approach Open
This study presents a comprehensive analysis of the vibrational spectra of methyl-β-D-ribofuranoside. Employing a combination of inelastic neutron scattering, Raman, and infrared spectroscopy allows for the observation of all modes regardl…
View article: Investigation of the Dynamic Behaviour of H<sub>2</sub> and D<sub>2</sub> in a Kinetic Quantum Sieving System
Investigation of the Dynamic Behaviour of H<sub>2</sub> and D<sub>2</sub> in a Kinetic Quantum Sieving System Open
Porous organic cages (POCs) are nanoporous materials composed of discrete molecular units that have uniformly distributed functional pores. The intrinsic porosity of these structures can be tuned accurately at the nanoscale by altering the…
View article: Nanocomposite materials as observed by mass-selective neutron spectroscopy
Nanocomposite materials as observed by mass-selective neutron spectroscopy Open
This work provides a current, critical view of the application of MAss-selective Neutron SpEctroscopy (MANSE) to nanocomposite materials. MANSE is a unique technique made possible owing to the existence of the pulsed neutron sources. At pr…
View article: Hydrogen Spillover in Tungsten Oxide Bronzes as Observed by Broadband Neutron Spectroscopy
Hydrogen Spillover in Tungsten Oxide Bronzes as Observed by Broadband Neutron Spectroscopy Open
Hydrogen spillover is an elusive process, and its characterization, using experimental probes and ab initio modeling, poses a serious challenge. In this work, the nuclear quantum dynamics of hydrogen in a palladium-decorated cubic polymorp…
View article: Nuclear quantum dynamics in Hexamethylenetetramine and its deuterated counterpart: a DFT-augmented neutron study
Nuclear quantum dynamics in Hexamethylenetetramine and its deuterated counterpart: a DFT-augmented neutron study Open
Despite being one of the most thoroughly characterised molecular crystals, hexamethylenetetramine (HMT) and its deuterated counterpart (DHMT), are still not fully understood, especially regarding anharmonic and nuclear quantum effects. In …
View article: Development of thermal scattering kernels for sodium hydroxide
Development of thermal scattering kernels for sodium hydroxide Open
NaOH was recently proposed as a moderator for the compact molten salt reactors, under development by Seaborg Technologies. In order to reliably predict the thermalisation of neutrons in such a reactor, the simulations must be based on mode…
View article: Force constant disorder in the Ni<sub>44</sub>Nb<sub>56</sub> bulk metallic glass as observed by deep inelastic neutron scattering augmented by isotopic substitution
Force constant disorder in the Ni<sub>44</sub>Nb<sub>56</sub> bulk metallic glass as observed by deep inelastic neutron scattering augmented by isotopic substitution Open
In this work, the force-constant disorder in nickel-niobium metallic glass, Ni 44 Nb 56 , was studied using the deep inelastic neutron scattering (DINS) technique augmented by isotopic substitution. The distributions of DINS observables (t…
View article: Interplay between Local Structure and Nuclear Dynamics in Tungstic Acid: A Neutron Scattering Study
Interplay between Local Structure and Nuclear Dynamics in Tungstic Acid: A Neutron Scattering Study Open
We provide an exhaustive characterization of structural properties and nuclear dynamics in tungstic acid (WO3·H2O). To this end, we employ neutron and X-ray diffraction (ND and XRD) combined with inelastic neutron scattering (INS) and neut…
View article: Glass Transition in Rice Pasta as Observed by Combined Neutron Scattering and Time-Domain NMR
Glass Transition in Rice Pasta as Observed by Combined Neutron Scattering and Time-Domain NMR Open
Experimental protocols aiming at the characterisation of glass transition often suffer from ambiguity. The ambition of the present study is to describe the glass transition in a complex, micro heterogeneous system, the dry rice pasta, in a…
View article: Local structure and dynamics of tungsten oxide-based glasses: insights from concurrent neutron diffraction and Compton scattering
Local structure and dynamics of tungsten oxide-based glasses: insights from concurrent neutron diffraction and Compton scattering Open
In this work, following our previous work on molybdate glasses, we employ a combination of neutron diffraction and neutron Compton scattering, augmented by ab initio harmonic lattice dynamics and Reverse Monte Carlo modelling to characteri…
View article: Kurtosis of momentum and displacement distributions in biphenyl
Kurtosis of momentum and displacement distributions in biphenyl Open
We apply the method of moment expansion, in terms of standard deviation and kurtosis, to the nuclear momentum and displacement distributions of hydrogen in biphenyl. In particular, we present first-principles calculations and
\nwe compare …
View article: Positional, isotopic mass and force constant disorder in molybdate glasses and their parent metal oxides as observed by neutron diffraction and Compton scattering
Positional, isotopic mass and force constant disorder in molybdate glasses and their parent metal oxides as observed by neutron diffraction and Compton scattering Open
Neutron Compton scattering and neutron diffraction, augmented by ab initio modelling, have been applied for the characterisation of disorder in molybdate glasses, 20MoO 3 + 30Nd 2 O 3 + 50B 2 O 3 , 40MoO 3 + 30Nd 2 O 3 + 30B 2 O 3 , and 50…
View article: Nuclear dynamics in BaZr<sub>0.7</sub>Ce<sub>0.2</sub>Y<sub>0.1</sub>O<sub>3−δ</sub> proton conductor as observed by neutron diffraction and Compton scattering
Nuclear dynamics in BaZr<sub>0.7</sub>Ce<sub>0.2</sub>Y<sub>0.1</sub>O<sub>3−δ</sub> proton conductor as observed by neutron diffraction and Compton scattering Open
Concurrent neutron Compton scattering (NCS) and neutron diffraction experiments at temperatures between 70 K and 300 K have been performed on proton-conducting hydrated BaZr 0.7 Ce 0.2 Y 0.1 O 3− δ (BZCY72) fabricated by spark plasma sinte…
View article: Validated scattering kernels for triphenylmethane at cryogenic temperatures
Validated scattering kernels for triphenylmethane at cryogenic temperatures Open
Cold neutrons are widely used in different fields of research such as the study of the structure and dynamics of solids and liquids, the investigation of magnetic materials, biological systems, polymer science, and a rapidly growing area o…
View article: Experimental validation of the temperature behavior of the ENDF/B-VIII.0 thermal scattering kernel for light water
Experimental validation of the temperature behavior of the ENDF/B-VIII.0 thermal scattering kernel for light water Open
The Neutron Physics Department at Centro Atómico Bariloche developed new models for the interaction of thermal neutrons with water which have been validated against experimental data, including new thermal scattering experiments, and were …
View article: Neutron Compton Scattering: from proton momentum distribution to muonium hyperfine coupling constant in the isopropyl radical
Neutron Compton Scattering: from proton momentum distribution to muonium hyperfine coupling constant in the isopropyl radical Open
We establish a fast and reliable benchmarking protocol for predictions of Muon Spin Resonance observables. To this end, we apply neutron Compton scattering (NCS) to study the nuclear momentum distributions of the proton and deuteron in the…
View article: A combined deep inelastic neutron scattering and ab initio lattice dynamics study of the hydride anion dynamics and bonding in La<sub>2</sub>LiHO<sub>3</sub> oxyhydride
A combined deep inelastic neutron scattering and ab initio lattice dynamics study of the hydride anion dynamics and bonding in La<sub>2</sub>LiHO<sub>3</sub> oxyhydride Open
Kobayashi et al (6279) (Science 2016 , 351) reported recently the existence of pure H - conductivity in the oxyhydride La 2− x − y Sr x + y LiH 1− x + y O 3− y , while demonstrating its functionality through a prototype solid-state Ti/La 2…
View article: Proton Momentum Distributions in Strong Hydrogen Bonds in the Solid State
Proton Momentum Distributions in Strong Hydrogen Bonds in the Solid State Open
Neutron Compton scattering (NCS) is a unique experimental technique made possible by the [...]
View article: Inelastic and deep inelastic neutron spectroscopy of water molecules under ultra-confinement
Inelastic and deep inelastic neutron spectroscopy of water molecules under ultra-confinement Open
Water confined within sub-nanometer channels of silicate minerals presents an extreme case of confinement, where the restricted molecules are situated in channels whose diameter is not much larger than the water molecule itself. Recently, …
View article: Neutrons matter: VII international workshop on electron-Volt neutron spectroscopy – A preface to the workshop proceedings
Neutrons matter: VII international workshop on electron-Volt neutron spectroscopy – A preface to the workshop proceedings Open
We present here a collection of works reporting on the recent experimental and theoretical activities taking advantage of epithermal neutron spectroscopy, and in particular focusing on recent results presented during the VII International …
View article: Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats
Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats Open
With an increase of computational capabilities, ab initio molecular dynamics becomes the natural choice for exploring the nuclear dynamics of solids. As based on classical mechanics, the validity of this approach is, in-principle, limited …
View article: Neutron-resonance capture analysis on the VESUVIO spectrometer: Towards high-throughput material characterisation
Neutron-resonance capture analysis on the VESUVIO spectrometer: Towards high-throughput material characterisation Open
We discuss the possibility to characterise nuclear quantum effects on the dynamics of heavy nuclei by means of neutron-resonance capture analysis on the VESUVIO spectrometer at ISIS. VESUVIO is equipped with yttrium-aluminium-perovskite ga…
View article: Data analysis of neutron Compton scattering experiments using MANTID
Data analysis of neutron Compton scattering experiments using MANTID Open
The VESUVIO spectrometer at the ISIS pulsed neutron and muon source is an epithermal and thermal neutron station requiring a software suite able to tackle the analysis of experimental data from several neutron techniques. We present an upd…