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Showing 1 to 14 of 14 for “"quasi elastic neutron scattering"”.
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Study of slow dynamics in supercooled water by molecular dynamics and quasi-elastic neutron scattering
… of test particle fluctuations: intermediate scattering function (ISF). The theoretical models are compared with experimental measurements by quasi-elastic neutron scattering (QENS) and molecular dynamics (MD) simulation results. The dynamics of supercooled water can be decoupled into a …
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Monte-Carlo Simulation of Diffusion as an Aid to Interpreting Quasi-elastic Neutron Scattering from Lattice Gas Systems with Diffusion on Multiple Time-Scales
… processes in these systems is provided by quasi-elastic neutron scattering (QENS); the timescales that can be observed are dependent on the energy range and resolution of the instru- mentation. Historical QENS measurements of PdH have been interpreted in terms of single process involving …
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Simulation studies of slow dynamics of hydration water in lysozyme : hydration level dependence and comparison with experiment using new time domain analysis
… Gaussian functions to convert the Intermediate Scattering Functions (ISF) from Quasi-Elastic Neutron Scattering (QENS) experiments from frequency domain to time domain. Then, the Relaxing-Cage Model (RCM) fitting is performed on the converted ISF in time domain. The average translational …
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A QUASIELASTIC NEUTRON SCATTERING STUDY OF WATER DIFFUSION IN FROG MUSCLE
… interaction of water with cellular constituents. Quasi-elastic neutron scattering (QNS) is a technique capable of a spatial resolution of 1-10 (ANGSTROM) and a frequency resolution of 10('9) to 10('13) sec('-1) which is suitable for the study of the diffusive motion of water in biological systems. …
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An x-ray study of the structure of K1-xRbxCy
… compounds K1-xRbxC8 and K1-xRbxC24 represent quasi two-dimensional alloys interleaved by graphite hexagonal planes. We report extensive x-ray scattering investigations of the structural aspects of these compounds. In stage 1 K1-xRbxC8, we find that the interlayer separation exhibits a slight …
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Studies on hydration water dynamics and microstructure of synthetic cement
… (C-S-H and M-S-H) gels using high-resolution quasi-elastic neutron scattering (QENS). C-S-H and M-S-H are the chemical binders present in calcium rich and magnesium rich cement. To analyze the cement QENS data, we developed a new global model which is numerically more stable than previous …
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Machine Learning-aided High-throughput Synthesis and Development of Optoelectronic Materials
… emits light in the deep-blue region. Next, I use Quasi-Elastic Neutron Scattering (QENS) to identify the dynamics of the multiple cations in state-of-art perovskite solar cell compositions as a function of bromine incorporation. I find that the suppression of one of the cations, FA, correlates …
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Synthesis and Blend Behaviour of Multi-End Capped Polyethylene
… (IBA), contact angle measurements and several neutron scattering measurements, including neutron reflectivity (NR), small angle neutron scattering (SANS) and quasi-elastic neutron scattering (QENS) and studies proved surface enrichment with fluoro-chain ends. This work has shown that blends of …
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Gravimetric, neutron scattering and computational studies of the sorption and diffusion of gases in zeolites
… and methane in has been studied using incoherent quasi-elastic neutron scattering (QENS). For the water molecules, it was possible to distinguish three distinct modes of motion: a fast short-range component within the zeolite cage, a slower long-range component and a rotational component. The …
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Combined computational and neutron scattering studies of hydrocarbons confined in mesoporous materials
Molecular Dynamics (MD) simulations and Quasi Elastic Neutron Scattering (QENS) experiments are used to investigate the dynamics of industrially relevant catalysis reactions. Despite the widespread industrial applications of mesoporous materials there is often little understanding of the dynamical …
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Studies of hydrogen bonding in protonic ionic liquids and their binary mixtures
… - infrared, and Raman spectroscopies, and inelastic neutron scattering - and the results were supported by theoretical calculations performed at ISIS Rutherford Appleton Laboratories. The selective deuteriation of the pure salts, and their deuteriated binary mixtures, was an important tool to …
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Neutron scattering investigations on the liquid-liquid transition in deeply cooled confined water
… water confined in MCM-41 are investigated. With elastic neutron scattering, we measure the average density of the confined water at low temperatures and high pressures. The results show the existence of a first-order LDL-to-HDL transition in such system. The phase separation starts from 1.12 0.17 …
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A viscoelastic hydrodynamic approach to the density fluctuations in classical liquids
… regime. Specifically, in this work, a viscoelastic hydrodynamic approach is proposed to describe the density fluctuations in supercooled liquids in the generalized hydrodynamic regime. Based on the generalization of the Navier-Stokes stress-strain constitutive relation, the viscoelastic …
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Study of atomic scale dynamics of glass-forming metallic liquids using neutron scattering experiments and molecular dynamics simulations
… of atomic-scale dynamics using experimental neutron scattering techniques and computational molecular dynamics simulations accompanied by machine learning. Specifically, this work focuses on identifying a key crossover point that marks the onset of glassy behavior in the liquid state from …