88 Results Found

Proton dynamics in Pd₇₇Ag₂₃ membranes is investigated by means of various neutron spectroscopic techniques, namely Quasi Elastic Neutron Scattering, Incoherent Inelastic Neutron Scattering, Neutron Transmission, and Deep Inelastic Neutron Scattering....

We report inelastic neutron scattering (INS) measurements of the phonon dispersion relation in higher manganese silicides (HMSs). A large ingot of HMS is synthesized using a slow cooling method, which is found to have Mn${}_{15}$Si${}_{26}$ as the primary phase. T...

The anharmonic phonon behavior in zirconium hydrides and deuterides, including ϵ-ZrH₂, γ-ZrH, and γ-ZrD, has been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the framework of density functi...

When examined at the nanometer length scale, metallic liquids exhibit extensive ordering. Bonding enthalpies are balanced against entropic tendencies resulting in a rich complicated behavior that leads to clustering that depends on temperature but ev...

Bacterial nanocellulose (BC)-based composites containing poly(2-hydroxyethyl methacrylate) (PHEMA), poly(methacroylcholine chloride) (PMACC) or poly(methacroylcholine hydroxide) (PMACH) were characterized by inelastic neutron scattering (INS) spectro...

Single-molecule magnets (SMMs) based on lanthanide ions display the largest known blocking temperatures and are the best candidates for molecular magnetic devices. Understanding their physical properties is a paramount task for the further developmen...

Prompt gamma-ray neutron activation analysis (PGNAA) is a useful approach for determining the concentrations of a variety of elements in natural materials, either online or in situ, without affecting their chemical forms in matter. The current resear...

We have investigated caesium hydrogen sulfate, CsHSO₄, in all three of its ambient pressure phases by total scattering neutron diffraction, inelastic neutron scattering (INS) and Raman spectroscopies and periodic density functional theory calculation...

The Museo Egizio’s collection contains 200 precious and unique leather artifacts belonging to different historical periods. The materials used during the tanning and curing procedures affect the chemical and elemental composition of the surface...

Proteins are inherently dynamic entities that rely on flexibility across multiple timescales to perform their biological functions. The surrounding environment plays a critical role in modulating protein dynamics by exerting plasticizing or stabilizi...

In the last few decades, experimental studies of the terahertz spectrum of density fluctuations have considerably improved our knowledge of the mesoscopic dynamics of disordered materials, which also have imposed new demands on the data modelling and...

Background and Objectives: As an mRNA-based vaccine, the Pfizer-BioNTech COVID-19 vaccine has stringent cold storage requirements to preserve functionality of the mRNA active ingredient. To this end, lipid components of the vaccine formulation play a...

The structure and dynamics of crystalline 4-(dimethylamino) benzaldehyde, 4DMAB, are assessed through INS spectroscopy combined with periodic DFT calculations. The excellent agreement between experimental and calculated spectra is the basis for a rel...

In the present study, we report infrared and Raman spectra in both solution and the solid state, together with a state-of-the art inelastic neutron scattering spectrum, of the unusual molecule pagodane. Periodic DFT calculations have enabled a comple...

Diiron nonacarbonyl, Fe₂(CO)₉, was discovered in 1905 and was the third metal carbonyl to be found. It was the first to be synthesized by a photochemical route. This is a challenging material to study: it is insoluble in virtually all solvents and de...

The present work emphasizes the value of periodic density functional theory (DFT) calculations in the assessment of the vibrational spectra of molecular crystals. Periodic calculations provide a nearly one-to-one match between the calculated and obse...

Conventionally, experimental phonon dispersions are determined by inelastic neutron scattering on triple-axis spectrometers or by inelastic X-ray scattering, in both cases requiring single crystalline samples. [...]

The molecular cluster system [Fe${}_{19}$(metheidi)${}_{10}$(OH)${}_{14}$O${}_6$(H${}_2$O)${}_{12}$]NO${}_3$·24H${}_2$O, abbreviated as Fe${}_{19}$, contains nineteen Fe(III) ions arranged in a disc-like structure with the total spin S = 35/2. For the first order, it behaves magnetically as a single mole...

Natural gas hydrates are ice-like crystalline materials formed from natural gas and clathrate ice under high pressure and low temperature. Ice XVI, the first S-II type clathrate ice produced in the lab, was simulated by first-principles density funct...

In this work, a computational spectroscopy approach was used to provide a complete assignment of the inelastic neutron scattering spectra of three title alkoxysilane derivatives—3-aminopropyltrimethoxysilane (APTS), N-methyl-3-aminopropyltrimet...

This review details a large panel of experimental studies (Inelastic Neutron Scattering, Quasi-Elastic Neutron Scattering, Nuclear Magnetic Resonance relaxometry, Pulsed-Gradient Spin-Echo attenuation, Nuclear Magnetic Resonance Imaging, macroscopic...

We investigated the antiferromagnetic phase transition in the frustrated and multiferroic hexagonal manganites h-YMnO ${}_3$ (YMO) and h-(Y ${}_{0.98}$ Eu ${}_{0.02}$ )MnO ${}_3$ (YEMO). Elastic neutron scattering was used to study, in deta...

Inelastic neutron scattering (INS) spectroscopy is used to explore the 0–12,000 cm⁻¹ range to characterise the interaction of H₂ with iron benzene-1,3,5-tricarboxylate (Fe-BTC). Two peaks are observed in the low energy (<350 cm⁻¹...

The ortho-hydroxy aryl Schiff base 2-[(E)-(phenylimino)methyl]phenol and its deutero-derivative have been studied by the inelastic incoherent neutron scattering (IINS), infrared (IR) and Raman experimental methods, as well as by Density Functional Th...

Molecular magnets provide a playground of interesting phenomena and interactions that have direct applications for quantum computation and magnetic systems. A general understanding of the underlying geometries for molecular magnets therefore generate...

The vibrational spectroscopy of CS₂ has been investigated many times in all three phases. However, there is still some ambiguity about the location of two of the modes in the solid state. The aim of this work was to locate all of the modes by inelast...

The hydrogen density of states (DOS) in confined water has been probed by inelastic neutron scattering spectra in a wide range of its P–T phase diagram. The liquid–liquid transition and the dynamical crossover from the fragile (super-Arrh...

Anisotropy and competing exchange interactions have emerged as two central ingredients needed for centrosymmetric materials to exhibit topological spin textures. Fe${}_3$Sn${}_2$ is thought to have these ingredients as well, as it has recently been discovered...

Extra virgin olive oil (EVOO) is defined as a functional food as it contains numerous phenolic components with well-recognized health-beneficial properties, such as high antioxidant and anti-inflammatory capacity. These characteristics depend on thei...

Despite vast research efforts, the detection of volatile intermediates of catalytic reactions remains a challenge: in addition to the compatibility of the technique to the harsh reaction conditions, a molecular understanding is hampered by the diffic...

Inelastic Neutron Scattering (INS) spectroscopy has provided a unique insight into the magnetodymanics of nanoscale copper (II) oxide (CuO). We present evidence for the propagation of magnons in the directions of the ordering vectors of both the comm...

Inelastic neutron scattering measurements have been performed on a superconducting single crystal FeTe ${}_{0.5}$ Se ${}_{0.5}$ to examine the $\mathbf{Q}$ -dependent enhancement of the dynamical structure factor, $S(\mathbf{Q},E)$ , from $\mathbf{Q}$ = (...

The neutron instruments suite, installed at the spallation neutron source of the Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex (J-PARC), is reviewed. MLF has 23 neutron beam ports and 21 instr...

Advanced batteries require advanced characterization techniques, and neutron scattering is one of the most powerful experimental methods available for studying next-generation battery materials. Neutron scattering offers a non-destructive method to p...

The conventional theory of neutron beams interacting with many-body systems treats the beam as a classical system, i.e., with its dynamical variables appearing in the quantum dynamics of the scattering process not as operators but only as c-numbers....

We used the high-resolution Inelastic X-ray Scattering beamline of the Advanced Photon Source at Argonne National Laboratory to measure the terahertz spectrum of pure water and a dilute aqueous suspension of 15 nm diameter spherical Au nanoparticles...

Approximately 50 years of inelastic scattering studies of noble gases are reviewed to illustrate the main advances achieved in the understanding of the THz dynamics of simple systems. The gradual departure of the spectral shape from the hydrodynamic...

The fixed-energy window scan approach, for both elastic and inelastic modes, is a valuable tool to discriminate between motions activated when dynamical phase transitions occur in a sample as a function of time, temperature, pressure, electrical fiel...

The new complex of N,N-Dimethylglycine (DMG) with chloranilic acid (CLA) was synthesized and examined for thermal, structural, and dynamical properties. The structure of the reaction product between DMG and CLA was investigated in a deuterated dimeth...

The concepts of Weak Values (WV) and Two-State Vector Formalism (TSVF) appear to motivate new experiments and to offer novel insights into dynamical processes in various materials of several scientific and technological fields. To support this view,...

A MoO_x/Al₂O₃ catalyst was synthesised and tested for oxidative (ODP) and non-oxidative (DP) dehydrogenation of propane in a reaction cycle of ODP followed by DP and a second ODP run. Characterisation results show that the fresh catalyst contains high...

The dynamics of 2-methoxybenzaldehyde, 4-methoxybenzaldehyde, and 4-ethoxybenzaldehyde in the solid state are assessed through INS spectroscopy combined with periodic DFT calculations. In the absence of experimental data for 4-ethoxybenzaldehyde, a t...

Diffuse neutron scattering has become a valuable tool for investigating local structure in materials ranging from organic molecular crystals containing only light atoms to piezo-ceramics that frequently contain heavy elements. Although neutron source...

Soft nanomaterials like aerogels are subject to thermal fluctuations, so that their structure randomly fluctuates with time. Neutron elastic and inelastic scattering experiments provide unique structural and dynamic information on such systems with n...

Magnetic shape memory alloys (MSMAs) are an interesting class of smart materials characterized by undergoing macroscopic deformations upon the application of a pertinent stimulus: temperature, stress and/or external magnetic fields. Since the deforma...

The hydrogen-disordered structure of ice, Ic, makes it difficult to analyze the vibrational normal modes in the far-infrared region (i.e., the molecular translation band). To clarify the origin of the energy-splitting of hydrogen bond vibrations in t...

This review deals with the issue of operational coal quality control using instrumental nuclear–physical methods. The existing traditional method of coal testing, characterized by high labor intensity and low representativeness, cannot serve as...

Incoherent inelastic and quasi-elastic neutron scattering (INS) and terahertz time-domain spectroscopy (THz-TDS) are spectroscopy methods that directly detect molecular dynamics, with an overlap in the measured energy regions of each method. Due to t...

In strongly disordered matter, such as liquids and glasses, atomic and magnetic excitations are heavily damped and partially localized by disorder. Thus, the conventional descriptions in terms of phonons and magnons are inadequate, and we have to con...

Ferromagnetic cluster spin wave theory (FCSWT) provides an exact and concise description of the low-energy excitations from the ferromagnetic ground state in finite magnetic systems, such as bounded magnetic molecules. In particular, this theory is a...