Showing 72 results for Author: Jamie J. Molaison
Jul, 2026
Journal
A miniature sized end-loaded piston cylinder cell with radial side windows for neutron scattering experiments is described. The principle of the bicone-shaped cylinders used was first presented by McWhan in 1974. The present cell is of compact portable design yet significantly enlarges the scattering angles. Its small size allows neutron scattering experiments at low tempe…
Mar, 2026
Conference Paper
Dec, 2025
Journal
Pyrazine (1,4-diazine) is a widely used linker in coordination polymers, molecular magnets, and metal–organic frameworks, yet its solid-state polymorphism is controlled by weak C–H···N interactions. Using variable-temperature and high-pressure neutron diffraction, a previously unrecognized low-temperature transition to phase IV is identified, showing that the form stabiliz…
Oct, 2025
Journal
Neutron diffraction is a powerful tool in the study of quantum materials and associated emergent phenomena as it allows for direct detection of magnetic structure even at ultra-low temperatures. As pressure can drive systems across quantum critical points and tune emergent behaviors at the quantum scale, coupling neutron diffraction with extreme conditions of high pressure…
Sep, 2025
Journal
The pressure–temperature phase behavior of covalent disordered solids such as amorphous silicon and germanium is complex. Questions remain on possible glass transitions, on polyamorphism via amorphous–amorphous transitions, on connections with liquid–liquid transitions, on structure-behavior relationships, and on their potential as precursor for novel methods for material…
Mar, 2025
Journal
Scandium trifluoride is a model negative thermal expansion (NTE) material. Its simple structure can be described as an A-site vacant perovskite, and it shows isotropic NTE over a very wide temperature range (up to ∼1100 K), due to transverse vibrational motion of the fluoride. Like many framework NTE materials, it undergoes a phase transition at low pressures, adopting a r…
Mar, 2025
Journal
The defect double perovskite [He2–xâ–¡x][CaNb]F6, with helium on its A-site, can be prepared by the insertion of helium into ReO3-type CaNbF6 at high pressure. Upon cooling from 300 to 100 K under 0.4 GPa helium, ∼60% of the A-sites become occupied. Helium uptake was quantified by both neutron powder diffraction and gas insertion and release measurements. After the conversio…
May, 2024
Journal
We have studied magnetic ordering in polycrystalline erbium at high pressures up to 32 GPa and low temperatures up down to 10 K using neutron diffraction techniques at the Spallation Neutron Source at Oak Ridge National Laboratory, USA. For the hexagonal close-packed (hcp) phase, strong nuclear and magnetic satellite intensities permit a simultaneous refinement of the nucl…
Dec, 2023
Journal
Additively manufactured scattered beam collimators are increasingly being employed to boost the sample to cell peak signal ratio in high pressure neutron diffraction studies because of manufacturing versatility and performance improvements. We study how the measured diffraction pattern is affected by the presence of a collimator downstream of the sample, and develop a nove…
Nov, 2023
Journal
We investigated the response of the crystal structure, lattice parameters, and unit-cell volume of hydrous layered silicate phlogopite at conditions relevant to subduction zone settings. We have used first principles simulation based on density functional theory to calculate the equation of state and full elastic constant tensor. Based on the generalized gradient approxima…
Nov, 2023
Journal
A diamond cell optimized for single-crystal neutron diffraction is described. It is adapted for work at several of the single-crystal diffractometers of the Spallation Neutron Source and the High Flux Isotope Reactor at the Oak Ridge National Laboratory (ORNL). A simple spring design improves portability across the facilities and affords load maintenance from offline press…