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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structural modification in the formation of starch – silver nanocomposites

Polymer based nanocomposites have gained wide applications in field of battery technology. Starch is a naturally occurring polysaccharide with sustainable properties such as biodegradable, non toxic, excellent film forming capacity and it also act as reducing agent for the metal nanoparticles. In our research various concentration of silver nitrate (AgNO{sub 3}) was added to the starch solution and films were obtained using solution casting method. Surface electron microscope (SEM) of the films shows modifications depending upon the concentration of AgNO{sub 3}. Small angle neutron scattering (SANS) analysis showed that addition of silver nitrate modifies the starch to disc like structures and with increasing the AgNO{sub 3} concentration leads to the formation of fractals. This research could benefit battery technology where solid polymer membranes using starch is used.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Indigenous design and development of multiPSD array for time of flight neutron spectrometer

Time of Flight neutron Spectrometer for inelastic neutron scattering studies is being commissioned at Dhruva reactor. Neutron pulse tagging is carried out using the Fermi chopper. Scattered neutrons at maximum possible scattered solid angle are needed to be detected along with the time information at detector. Precise and efficient detection system is essential for measurement of spatial and temporal distribution. Detection area is optimized to cover an angle of 70° in horizontal direction and 23° in vertical direction. Position sensitive detectors (PSDs) are designed with judicial use of precious {sup 3}He gas and a few PSDs with BF{sub 3} gas as suitable alternative for {sup 3}He gas. An array of vertically arranged 1 m long, 50 PSDs, covers the arc length of 2.5 m and detection area 2.5 m{sup 2}. The design of the BF{sub 3} PSDs is supported by investigations on the gas purity, fill gas pressure, drift region, drift field and neutron absorption in cathode wall. Design details and performance of the PSDs are presented in the paper.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Extended magnetic exchange interactions in the high-temperature ferromagnet MnBi

The high-temperature ferromagnet MnBi continues to receive attention as a candidate to replace rare-earth-containing permanent magnets in applications above room temperature. This is due to a high Curie temperature, large magnetic moments, and a coercivity that increases with temperature. The synthesis of MnBi also allows for crystals that are free of interstitial Mn, enabling more direct access to the key interactions underlying the physical properties of binary Mn-based ferromagnets. In this work, we use inelastic neutron scattering to measure the spin waves of MnBi in order to characterize the magnetic exchange at low temperature. Consistent with the spin reorientation that occurs below 140 K, we do not observe a spin gap in this system above our experimental resolution. A Heisenberg model was fit to the spin wave data in order to characterize the long-range nature of the exchange. It was found that interactions up to sixth nearest neighbor are required to fully parametrize the spin waves. Surprisingly, the nearest-neighbor term is antiferromagnetic, and the realization of a ferromagnetic ground state relies on the more numerous ferromagnetic terms beyond nearest neighbor, suggesting that the ferromagnetic ground state arises as a consequence of the long-ranged interactions in the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Integrated modeling of cryogenic layered highfoot experiments at the NIF

Integrated radiation hydrodynamic modeling in two dimensions, including the hohlraum and capsule, of layered cryogenic HighFoot Deuterium-Tritium (DT) implosions on the NIF successfully predicts important data trends. The model consists of a semi-empirical fit to low mode asymmetries and radiation drive multipliers to match shock trajectories, one dimensional inflight radiography, and time of peak neutron production. Application of the model across the HighFoot shot series, over a range of powers, laser energies, laser wavelengths, and target thicknesses predicts the neutron yield to within a factor of two for most shots. The Deuterium-Deuterium ion temperatures and the DT down scattered ratios, ratio of (10–12)/(13–15) MeV neutrons, roughly agree with data at peak fuel velocities <340 km/s and deviate at higher peak velocities, potentially due to flows and neutron scattering differences stemming from 3D or capsule support tent effects. These calculations show a significant amount alpha heating, 1–2.5× for shots where the experimental yield is within a factor of two, which has been achieved by increasing the fuel kinetic energy. This level of alpha heating is consistent with a dynamic hot spot model that is matched to experimental data and as determined from scaling of the yield with peak fuel velocity. Lastly, these calculations also show that low mode asymmetries become more important as the fuel velocity is increased, and that improving these low mode asymmetries can result in an increase in the yield by a factor of several.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

VESPA: The vibrational spectrometer for the European Spallation Source

VESPA, Vibrational Excitation Spectrometer with Pyrolytic-graphite Analysers, aims to probe molecular excitations via inelastic neutron scattering. It is a thermal high resolution inverted geometry time-of-flight instrument designed to maximise the use of the long pulse of the European Spallation Source. The wavelength frame multiplication technique was applied to provide simultaneously a broad dynamic range (about 0-500 meV) while a system of optical blind choppers allows to trade flux for energy resolution. Thanks to its high flux, VESPA will allow the investigation of dynamical and in situ experiments in physical chemistry. Here we describe the design parameters and the corresponding McStas simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Wavelength-independent constant period spin-echo modulated small angle neutron scattering

Spin-Echo Modulated Small Angle Neutron Scattering (SEMSANS) in Time-of-Flight (ToF) mode has been shown to be a promising technique for measuring (very) small angle neutron scattering (SANS) signals and performing quantitative Dark-Field Imaging (DFI), i.e., SANS with 2D spatial resolution. However, the wavelength dependence of the modulation period in the ToF spin-echo mode has so far limited the useful modulation periods to those resolvable with the limited spatial resolution of the detectors available. Here we present our results of an approach to keep the period of the induced modulation constant for the wavelengths utilised in ToF. This is achieved by ramping the magnetic fields in the coils responsible for creating the spatially modulated beam in synchronisation with the neutron pulse, thus keeping the modulation period constant for all wavelengths. Such a setup enables the decoupling of the spatial detector resolution from the resolution of the modulation period by the use of slits or gratings in analogy to the approach in grating-based neutron DFI.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Asymptotic neutron scattering laws for anomalously diffusing quantum particles

The paper deals with a model-free approach to the analysis of quasielastic neutron scattering intensities from anomalously diffusing quantum particles. All quantities are inferred from the asymptotic form of their time-dependent mean square displacements which grow ∝t{sup α}, with 0 ≤ α < 2. Confined diffusion (α = 0) is here explicitly included. We discuss in particular the intermediate scattering function for long times and the Fourier spectrum of the velocity autocorrelation function for small frequencies. Quantum effects enter in both cases through the general symmetry properties of quantum time correlation functions. It is shown that the fractional diffusion constant can be expressed by a Green-Kubo type relation involving the real part of the velocity autocorrelation function. The theory is exact in the diffusive regime and at moderate momentum transfers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Erratum: “A high precision gas flow cell for performing in situ neutron studies of local atomic structure in catalytic materials” [Rev. Sci. Instrum. 88, 034101 (2017)]

We report that in the original paper,1 the following chemical formula was reported erroneously: Na 78-2x Ca x Al 78 Si 144 O 384 , x ≈ 38. The correct formula for the material studied is Na 86-2x Ca x Al 86 Si 106 O 384 , x ≈ 43. The difference in formula values between this corrected composition and values in Table 1 has no effect on the refinement quality (within the reported error), the subsequent analysis, or overall conclusions of the manuscript. Specifically, the neutron diffraction data and crystallographic refinement are insensitive (within the reported error) to the corresponding change in the Si/Al ratios, and the corrected number of Ca (x ≈ 43) is found to be within the error of the value reported via crystallographic refinement of the Ca occupancy [x = 46(3)].

36 MATERIALS SCIENCE↗
DOE OSTI2018

Equation of state, phase stability, and phase transformations of uranium-6 wt.% niobium under high pressure and temperature

In-situ time-of-flight neutron diffraction experiments were conducted on the uranium-niobium alloy with 6 wt. % Nb (U–6Nb) at pressures up to 4.7 GPa and temperatures up to 1073 K. Upon static compression at room temperature, the monoclinic structure of U–6Nb (α" U–6Nb) remains stable up to the highest experimental pressure. Based on the pressure-volume measurements at room temperature, the least-squares fit using the finite-strain equation of state (EOS) yields an isothermal bulk modulus of B 0 = 127±2 GPa for the α"-phase of U–6Nb. The calculated zero-pressure bulk sound speed from this EOS is 2.706±0.022 km/s, which is in good agreement with the linear extrapolation of the previous Hugoniot data above 12 GPa for α" U–6Nb, indicating that the dynamic response under those shock-loading conditions is consistent with the stabilization of the initial monoclinic phase of U-6Nb. Upon heating at ambient and high pressures, the metastable α" U–6Nb exhibits complex transformation paths leading to the diffusional phase decomposition, which are sensitive to applied pressure, stress state, and temperature-time path. These findings provide new insight into the behavior of atypical systems such as U-Nb and suggest that the different U-Nb phases are separated by rather small energies and hence highly sensitive to compositional, thermal, and mechanical perturbations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

The magnetic order of a manganese vanadate system with two-dimensional striped triangular lattice

Results of magnetization and neutron diffraction measurements of the manganese vanadate system Mn 5 (VO 4 ) 2 (OH) 4 are reported. The crystal structure of this compound contains triangular [Mn 3 O 13 ] building blocks that produce two-dimensional Mn 2+ magnetic networks with striped triangular topologies. The Mn sheets are connected through the nonmagnetic vanadate tetrahedra extending along the a-axis. Magnetization measurements performed on single crystals reveal the onset of a long-range antiferromagnetic order below approximately 45 K. The magnetic structure is Néel-type with nearest-neighbor Mn atoms coupled via three or four antiferromagnetic bonds. The magnetic moments are confined within the layers and are oriented parallel to the b direction. In conclusion, the magnitudes of ordered moments are reduced, presumably by geometrical frustration and the low-dimensionality of the lattice structure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Path dependency of phase transformations

At high pressures titanium and zirconium are known to undergo a phase transformation from the hexagonal close packed (HCP), alpha-phase to the simple-hexagonal, omega-phase. Under conditions of shock loading, the high-pressure omega-phase can be retained upon release. It has been shown that temperature, peak shock stress, and texture can influence the transformation. Moreover, under these same loading conditions, plastic processes of slip and twinning are also affected by similar differences in the loading path. To understand this path dependency and it role on microstructural evolution, in-situ velocimetry measurements along with post-mortem metallographic and neutron diffraction characterization of soft recovered specimens have been utilized to qualitatively understand the kinetics of transformation, quantify volume fraction of retained omega-phase and characterize the shocked alpha and omega-phases. Together the work described here can be utilized to understand phase and structure for these metals and lend insight into the partitioning of plastic processes between phases far from equilibrium conditions. Experiments discussed here, reveal that the transformation from alpha to omega phase is more difficult in Ti than in Zr metals. This result is discussed in terms of both differences in shear modulus and free space within the lattice for these systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Angular alignment and fidelity of neutron phase-gratings for improved interferometer fringe visibility

The recent development of phase-grating moiré neutron interferometry promises a wide range of impactful experiments from dark-field imaging of material microstructure to precise measurements of fundamental constants. However, the contrast of 3% obtained using this moiré interferometer was well below the theoretical prediction of 30% using ideal gratings. It is suspected that non-ideal aspects of the phase-gratings was a leading contributor to this deficiency and that phase-gratings needed to be quantitatively assessed and optimized. Here we characterize neutron diffraction from phase-gratings using Bragg diffraction crystals to determine the optimal phase-grating orientations. We show well-defined diffraction peaks and explore perturbations to the diffraction peaks and the effects on interferometer contrast as a function of grating alignment. This technique promises to improve the contrast of the grating interferometers by providing in-situ aides to grating alignment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Thermal expansion coefficients of high thermal conducting BAs and BP materials

Recently reported very high thermal conductivities in cubic boron arsenide (BAs) and boron phosphide (BP) crystals could potentially provide a revolutionary solution in the thermal management of high power density devices. To fully facilitate such an application, the compatible coefficient of thermal expansion (CTE) between the heat spreader and the device substrate, in order to minimize the thermal stress, needs to be considered. Here, we report our experimental CTE studies of BAs and BP in the temperature range from 100 K to 1150 K, through a combination of X-ray single crystal diffraction and neutron powder diffraction. Here, we demonstrated that the room temperature CTEs, 3.6 ± 0.15 × 10 –6 /K for BAs and 3.2 ± 0.2 × 10 –6 /K for BP, are more compatible with most of the semiconductors including Si and GaAs, in comparison with diamond, and thus could be better candidates for the future heat spreader materials in power electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Significant enhancement of magnetocaloric effect in a NiMnCuGa Heusler alloy through textural modification

Magnetocaloric materials are of increasing interest to bring magnetic refrigeration to everyday households and drastically impact the energy demands for temperature control devices. In this work, a polycrystalline Heusler alloy of composition Ni2Mn0.76Cu0.24Ga with coinciding structural and magnetic transformation temperatures was subjected to compressive stress assisted thermal cycling (SATC) to enhance the magnetic properties by inducing a preferred orientation in the martensite. Isofield magnetization measurements showed a sharpening of the transformation between ferromagnetic martensite and paramagnetic austenite due to SATC. In isothermal magnetization measurements, SATC was seen to increase the magnetostructural coupling. With a 2 T applied magnetic field, the magnetocaloric effect (MCE) increased from ∼10 to ∼25 J/kg K and the refrigeration capacity (RC) almost doubled due to SATC. Heat capacity measurements were largely unaffected by SATC. The change in adiabatic temperature was estimated by using Cp and change in magnetic entropy (ΔSM) calculations. SATC was seen to increase ΔTad from ∼1.2 K to 2 K for an applied magnetic field of 2 T. Neutron diffraction measurements revealed highly textured martensite in the as received state that rotated to a more ideal preferred orientation after SATC that enhanced the magnetostructural transformation; and thus, improving the MCE and ΔTad.

McLeod, M. V. (ORCID:0000000329883516)↗
DOE OSTI2023

The structure and electronic properties of tetrahedrally bonded hydrogenated amorphous carbon

In this work, we have synthesized hydrogenated and deuterated amorphous carbon materials that have a density, 2.7 ± 0.1 g/cm 3 , consistent with almost entirely tetrahedral bonding. In hydrogen-free tetrahedral amorphous carbon, the presence of a minority of sp2 bonded atoms leads to localized states that could be passivated with hydrogen by analogy with hydrogenated amorphous silicon. Neutron diffraction analysis demonstrated that the local bonding environment is consistent with ab initio models of high density hydrogenated tetrahedral amorphous carbon and with the related tetrahedral molecular structure neopentane. The optical bandgap of our material, 4.5 eV, is close to the bandgap in the density of states determined by scanning tunneling spectroscopy (4.3 eV). This bandgap is considerably larger than that of hydrogen-free tetrahedral amorphous carbon, confirming that passivation of sp 2 associated tail-states has occurred. Both the structural and electronic measurements are consistent with a model in which the tetrahedrally bonded carbon regions are terminated by hydrogen, causing hopping conductivity to dominate.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Flat-band tuning and emergent itinerant magnetism in Sr(Co 1− x Pd x ) 2 As 2

The interplay between magnetism and flat-band (FB) instability is a central theme in quantum materials research. A striking example is the emergence of magnetic order in a nominally nonmagnetic compound when a flat band is tuned near the Fermi energy (E F ). Here, in this study, we investigate this phenomenon in the Pauli paramagnet SrCo 2 As 2 , where an FB associated with Co e g orbitals lies close to E F . Remarkably, a minute substitution of the nonmagnetic element Pd onto the Co site (~2%) induces antiferromagnetic order with a transition temperature as high as T N = 25 K. Temperature- and magnetic-field-dependent magnetic and transport measurements, complemented by zero-field neutron diffraction, reveal a helical magnetic order for x ≤ 0.10 in Sr(Co 1−x Pd x ) 2 As 2 , transitioning to a complex ferromagnetic state at higher Pd concentrations. Spectroscopic evidence and theoretical band structure calculations demonstrate that electron doping shifts the flat band closer to E F , significantly enhancing the Stoner parameter. This enhancement drives a strong ferromagnetic instability, leading to helical magnetic ordering dominated by in-plane ferromagnetic interactions. The emergence of robust magnetic ordering through substitution with nonmagnetic elements is a unique phenomenon that underscores the pivotal role of flat-band instability in tuning magnetism in itinerant systems.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Zr-based bulk metallic glass as a cylinder material for high pressure apparatuses

Zirconium-based bulk metallic glass (Zr-based BMG) has outstanding properties as a cylinder mate- rial for piston-cylinder high pressure apparatuses and is especially useful for neutron scattering. The piston-cylinder consisting of a Zr-based BMG cylinder with outer/inner diameters of 8.8/2.5 mm sustains pressures up to 1.81 GPa and ruptured at 2.0 GPa, with pressure values determined by the superconduct- ing temperature of lead. The neutron attenuation of Zr-based BMG is similar to that of TiZr null-scattering alloy and more transparent than that of CuBe alloy. No contamination of sharp Bragg reflections is observed in the neutron diffraction pattern for Zr-based BMG. The magnetic susceptibility of Zr-based BMG is similar to that of CuBe alloy; this leads to a potential application for measurements of magnetic properties under pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High-Pressure Single-Crystal Neutron Scattering Study of Magnetic and Fe Vacancy Orders in (Tl,Rb) 2 Fe 4 Se 5 Superconductor

We investigate the magnetic and iron vacancy orders in superconducting (Tl,Rb) 2 Fe 4 Se 5 single-crystals by using a high-pressure neutron diffraction technique. Similar to the temperature effect, the block antiferromagnetic order gradually decreases upon increasing pressure while the Fe vacancy superstructural order remains intact before its precipitous disappearance at the critical pressure P c = 8.3 GPa. Combined with previously determined P c for superconductivity, our phase diagram under pressure reveals the concurrence of the block AFM order, the √5 × √5 iron vacancy order and superconductivity for the 245 superconductor. Lastly, a synthesis of current experimental data in a coherent physical picture is attempted.

36 MATERIALS SCIENCE↗