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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Substitution effect on the magnetic and transport properties of CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}

We report the results of Mn substitution for Ni in CeNi{sub 0.8}Bi{sub 2} (i.e., CeNi{sub 0.8−x}Mn{sub x}Bi{sub 2}). All the samples have an antiferromagnetic ordered state below T{sub N} = 5.0 K due to localized 4f-magnetic moment on the Ce ions. Besides this antiferromagnetic ordering caused by Ce, the magnetic and transport properties are abruptly changed with increasing Mn contents at the boundary composition of x = 0.4. The magnetic state is changed into a ferromagnetic state around 200 K for x > 0.4, where the electrical resistivity is strongly suppressed to become simple metallic. These results of ferromagnetism and metallicity can be explained by the double exchange mechanism, rather than the simple picture of Doniach phase diagram. The mixed valence states of Ni and Mn ions are confirmed by X-ray photoelectron spectroscopy. For x ≤ 0.4, the initial Ni{sup 3+} state gradually changes to the Ni{sup 2+} state with increasing x up to 0.4. On further increase of x > 0.4, the Ni{sup 2+} state is replaced by the Mn{sup 2+} state, which gradually changes to the final Mn{sup 3+} state. We also present an inelastic neutron scattering (INS) measurements on CeNi{sub 0.8}Bi{sub 2} (i.e., x = 0) between 1.2 and 12 K. The high energy INS study reveals the presence of two well-defined crystal electric field (CEF) excitations near 9 meV and 19 meV at 1.2 K and 6 K, while the low energy INS study reveals the presence of quasielastic scattering above 4 K. We will discuss our INS results of CeNi{sub 0.8}Bi{sub 2} based on the CEF model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Versatile module for experiments with focussing neutron guides

We report the development of a versatile module that permits fast and reliable use of focussing neutron guides under varying scattering angles. A simple procedure for setting up the module and neutron guides is illustrated by typical intensity patterns to highlight operational aspects as well as typical parasitic artefacts. Combining a high-precision alignment table with separate housings for the neutron guides on kinematic mounts, the change-over between neutron guides with different focussing characteristics requires no readjustments of the experimental setup. Exploiting substantial gain factors, we demonstrate the performance of this versatile neutron scattering module in a study of the effects of uniaxial stress on the domain populations in the transverse spin density wave phase of single crystal Cr.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The HD molecule in small and medium cages of clathrate hydrates: Quantum dynamics studied by neutron scattering measurements and computation

We report inelastic neutron scattering (INS) measurements on molecular hydrogen deuteride (HD) trapped in binary cubic (sII) and hexagonal (sH) clathrate hydrates, performed at low temperature using two different neutron spectrometers in order to probe both energy and momentum transfer. The INS spectra of binary clathrate samples exhibit a rich structure containing sharp bands arising from both the rotational transitions and the rattling modes of the guest molecule. For the clathrates with sII structure, there is a very good agreement with the rigorous fully quantum simulations which account for the subtle effects of the anisotropy, angular and radial, of the host cage on the HD microscopic dynamics. The sH clathrate sample presents a much greater challenge, due to the uncertainties regarding the crystal structure, which is known only for similar crystals with different promoter, but nor for HD (or H{sub 2}) plus methyl tert-butyl ether (MTBE-d12)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Molecular ring rotation in solid ferrocene revisited

We report on quasielastic neutron spectroscopy experiments on ferrocene (bis(η{sup 5}-cyclopentadienyl)iron) in its three different crystalline phases: the disordered monoclinic crystalline phase (T > 164 K), the metastable triclinic phase (T < 164 K), and the stable orthorhombic phase (T < 250 K). The cyclopentadienyl rings in ferrocene are known to undergo rotational reorientations for which the analysis of our large data set suggests partially a revision of the known picture of the dynamics and allows for an extension and completion of previous studies. In the monoclinic phase, guided by structural information, we propose a model for rotational jumps among non-equivalent sites in contrast to the established 5-fold jump rotation model. The new model takes the dynamical disorder into account and allows the cyclopentadienyl rings to reside in two different configurations which are found to be twisted by an angle of approximately 30°. In the triclinic phase, our analysis demands the use of a 2-ring model accounting for crystallographically independent sites with different barriers to rotation. For the orthorhombic phase of ferrocene, we confirm a significantly increased barrier of rotation using neutron backscattering spectroscopy. Our data analysis includes multiple scattering corrections and presents a novel approach of simultaneous analysis of different neutron scattering data by combining elastic and inelastic fixed window temperature scans with energy spectra, providing a very robust and reliable mean of extracting the individual activation energies of overlapping processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A new development on measurement and control software of SANS BATAN spectrometer (SMARTer) in Serpong, Indonesia

In 2005, the main computer for data acquisition and control system of Small-angle Neutron Scattering (SANS) BATAN Spectrometer (SMARTer) was replaced since it halted to operate the spectrometer. According to this replacement, the new software for data acquisition and control system has been developed in-house. Visual Basic programming language is used in developing the software. In the last two years, many developments have been made both in the hardware and also the software to conduct the experiment is more effective and efficient. Lately, the previous motor controller card (ISA Card) was replaced with the programmable motor controller card (PCI Card) for driving one motor of position sensitive detector (PSD), eight motors of four collimators, and six motors of six pinhole discs. This new control system software makes all motors can be moved simultaneously, then it reduces significantly the consuming time of setting up the instrument before running the experiment. Along with that development, the new data acquisition software under MS Windows operating system is also developed to drive a beam stopper in X-Y directions as well as to read the equipment status such as position of the collimators and PSD, to acquire neutron counts on monitor and PSD detectors, and also to manage 12 samples position automatically. A timer object which is set in one second to read the equipment status via serial port of the computer (RS232C), and general purpose interface board (GPIB) for reading the total counts of each pixel of the PSD from histogram memory was used in this new software. The experiment result displayed in real time on the main window, and the data is saved in the special format for further data reduction and analysis. The new software has been implemented and performed for experiment using a preset count or preset time mode for absolute scattering intensity method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Figure correction of a metallic ellipsoidal neutron focusing mirror

An increasing number of neutron focusing mirrors is being adopted in neutron scattering experiments in order to provide high fluxes at sample positions, reduce measurement time, and/or increase statistical reliability. To realize a small focusing spot and high beam intensity, mirrors with both high form accuracy and low surface roughness are required. To achieve this, we propose a new figure correction technique to fabricate a two-dimensional neutron focusing mirror made with electroless nickel-phosphorus (NiP) by effectively combining ultraprecision shaper cutting and fine polishing. An arc envelope shaper cutting method is introduced to generate high form accuracy, while a fine polishing method, in which the material is removed effectively without losing profile accuracy, is developed to reduce the surface roughness of the mirror. High form accuracy in the minor-axis and the major-axis is obtained through tool profile error compensation and corrective polishing, respectively, and low surface roughness is acquired under a low polishing load. As a result, an ellipsoidal neutron focusing mirror is successfully fabricated with high form accuracy of 0.5 μm peak-to-valley and low surface roughness of 0.2 nm root-mean-square.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

On the mesoscopic origins of high viscosities in some polyelectrolyte-surfactant mixtures

Oppositely charged polyelectrolyte (PE) surfactant mixtures allow the control of rheological parameters of a solution even at fairly low concentrations. For example, addition of 0.3 wt. % of anionic surfactant to a 1 wt. % solution of the polycation JR 400 increases the viscosity by 4 orders of magnitude. Recently, we could show that this increase is related to the formation of mixed, rod-like PE/surfactant aggregates which interconnect several polyelectrolyte chains [Hoffmann et al., Europhys. Lett. 104, 28001 (2013)]. In this paper, we refine our structural model of the aggregates to obtain a more consistent picture of their internal structure for different anionic surfactants. Combining small angle neutron scattering (SANS) and neutron spin-echo (NSE) allows us to determine the size of the aggregates. By comparing different contrasts, the internal structure of the aggregates can be elucidated and it is seen that the PE in the aggregates retains a relatively high freedom of movement. We proceeded to investigate the influence of the surfactant concentration and the surfactant type on structure and dynamics of the mixed aggregates. It is seen that the structural parameters of the aggregates depend very little on the surfactant concentration and headgroup. However, it is crucial to incorporate a sufficient amount of PE in the aggregates to increase the viscosity of the aggregates. By comparing viscous samples at 1 wt. % PE concentration with samples at a PE concentration of 0.3 wt. %, where no significant increase in viscosity is observed, we find that similar aggregates are formed already at this lower PE concentrations. However, the amount of PE incorporated in them is insufficient to interconnect several PE chains and therefore, they do not increase viscosity. So, our detailed investigation combining contrast variation SANS and NSE does not only allow to explain the viscosity behavior but also to deduced detailed information regarding the structures and the dynamics especially of the polyelectrolyte within the complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A new apparatus design for high temperature (up to 950 °C) quasi-elastic neutron scattering in a controlled gaseous environment

A design for a sample cell system suitable for high temperature Quasi-Elastic Neutron Scattering (QENS) experiments is presented. The apparatus was developed at the Spallation Neutron Source in Oak Ridge National Lab where it is currently in use. The design provides a special sample cell environment under controlled humid or dry gas flow over a wide range of temperature up to 950 °C. Using such a cell, chemical, dynamical, and physical changes can be studied in situ under various operating conditions. While the cell combined with portable automated gas environment system is especially useful for in situ studies of microscopic dynamics under operational conditions that are similar to those of solid oxide fuel cells, it can additionally be used to study a wide variety of materials, such as high temperature proton conductors. The cell can also be used in many different neutron experiments when a suitable sample holder material is selected. The sample cell system has recently been used to reveal fast dynamic processes in quasi-elastic neutron scattering experiments, which standard probes (such as electrochemical impedance spectroscopy) could not detect. In this work, we outline the design of the sample cell system and present results demonstrating its abilities in high temperature QENS experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Direct assignment of molecular vibrations via normal mode analysis of the neutron dynamic pair distribution function technique

For over a century, vibrational spectroscopy has enhanced the study of materials. Yet, assignment of particular molecular motions to vibrational excitations has relied on indirect methods. Here, we demonstrate that applying group theoretical methods to the dynamic pair distribution function analysis of neutron scattering data provides direct access to the individual atomic displacements responsible for these excitations. Applied to the molecule-based frustrated magnet with a potential magnetic valence-bond state, LiZn{sub 2}Mo{sub 3}O{sub 8}, this approach allows direct assignment of the constrained rotational mode of Mo{sub 3}O{sub 13} clusters and internal modes of MoO{sub 6} polyhedra. We anticipate that coupling this well known data analysis technique with dynamic pair distribution function analysis will have broad application in connecting structural dynamics to physical properties in a wide range of molecular and solid state systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Communication: The H{sub 2}@C{sub 60} inelastic neutron scattering selection rule: Expanded and explained

Recently [M. Xu et al., J. Chem. Phys. 139, 064309 (2013)], an unexpected selection rule was discovered for the title system, contradicting the previously held belief that inelastic neutron scattering (INS) is not subject to any selection rules. Moreover, the newly predicted forbidden transitions, which emerge only in the context of coupled H{sub 2} translation-rotation (TR) dynamics, have been confirmed experimentally. However, a simple physical understanding, e.g., based on group theory, has been heretofore lacking. This is provided in the present paper, in which we (1) derive the correct symmetry group for the H{sub 2}@C{sub 60} TR Hamiltonian and eigenstates; (2) complete the INS selection rule, and show that the set of forbidden transitions is actually much larger than previously believed; and (3) evaluate previous theoretical and experimental results, in light of the new findings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Emerging battery research in Indonesia: The role of nuclear applications

Development of lithium ion batteries will play an important role in achieving innovative sustainable energy. To reduce the production cost of such batteries, the Indonesian government has instituted a strategy to use local resources. Therefore, this technology is now part of the National Industrial Strategic Plan. One of the most important scientific challenges is to improve performance of lithium batteries. Neutron scattering is a very important technique to investigate crystal structure of electrode materials. The unique properties of neutrons, which allow detection of light elements such as lithium ions, are indispensable. The utilization of neutron scattering facilities at the Indonesian National Nuclear Energy Agency will provide significant contributions to the development of improved lithium ion battery technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Compact turnkey focussing neutron guide system for inelastic scattering investigations

We demonstrate the performance of a compact neutron guide module which boosts the intensity in inelastic neutron scattering experiments by approximately a factor of 40. The module consists of two housings containing truly curved elliptic focussing guide elements, positioned before and after the sample. The advantage of the module lies in the ease with which it may be reproducibly mounted on a spectrometer within a few hours, on the same timescale as conventional sample environments. It is particularly well suited for samples with a volume of a few mm{sup 3}, thus enabling the investigation of materials which to date would have been considered prohibitively small or samples exposed to extreme environments, where there are space constraints. We benchmark the excellent performance of the module by measurements of the structural and magnetic excitations in single crystals of model systems. In particular, we report the phonon dispersion in the simple element lead. We also determine the magnon dispersion in the spinel ZnCr{sub 2}Se{sub 4} (V = 12.5 mm{sup 3}), where strong magnetic diffuse scattering at low temperatures evolves into distinct helical order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A diamond 14 MeV neutron energy spectrometer with high energy resolution

A self-standing single-crystal chemical vapor deposited diamond was obtained using lift-off method. It was fabricated into a radiation detector and response function measurements for 14 MeV neutrons were taken at the fusion neutronics source. 1.5% of high energy resolution was obtained by using the {sup 12}C(n, α){sup 9}Be reaction at an angle of 100° with the deuteron beam line. The intrinsic energy resolution, excluding energy spreading caused by neutron scattering, slowing in the target and circuit noises was 0.79%, which was also the best resolution of the diamond detector ever reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Compact spherical neutron polarimeter using high-T{sub c} YBCO films

We describe a simple, compact device for spherical neutron polarimetry measurements at small neutron scattering angles. The device consists of a sample chamber with very low (<0.01 G) magnetic field flanked by regions within which the neutron polarization can be manipulated in a controlled manner. This allows any selected initial and final polarization direction of the neutrons to be obtained. We have constructed a prototype device using high-T{sub c} superconducting films and mu-metal to isolate regions with different magnetic fields and tested device performance in transmission geometry. Finite-element methods were used to simulate the device’s field profile and these have been verified by experiment using a small solenoid as a test sample. Measurements are reported using both monochromatic and polychromatic neutron sources. The results show that the device is capable of extracting sample information and distinguishing small angular variations of the sample magnetic field. As a more realistic test, we present results on the characterization of a 10 μm thick Permalloy film in zero magnetic field, as well as its response to an external magnetic field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Magnetic nanoscopic correlations in the crossover between a superspin glass and a superferromagnet

Collective behaviors in which the magnetic response depends not only on the individual constituents but also on their interactions are an area of active research. We have produced a paradigmatic system where DC magnetron sputtered Fe{sub x}Ag{sub 100–x} (x = 15, 35) nanogranular films exhibit a crossover between a superspin glass (SSG) state and a superferromagnetism (SFM), where direct exchange interactions overcome the frustration. The systems have been studied by non-linear susceptibility (NLS) and small angle neutron scattering (SANS). The NLS measurements were carried out between 2 and 300 K, in the absence of a biasing magnetic field, with frequencies spanning two decades. These measurements shed light on the complex nature of the interactions and the intricate relationship between direct exchange and long range magnetic interactions. The use of SANS allows us to estimate qualitatively the lengthscale of the magnetic correlations, and therefore identify a clear difference between the collective “supermagnetic” states (i.e., SSG and SFM) while establishing links between the structure and the magnetic interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Controlling block copolymer phase behavior using ionic surfactant

The phase behavior of poly(ethylene oxide)-poly(propylene oxide-poly(ethylene oxide) PEO-PPO-PEO triblock copolymer [P85 (EO{sub 26}PO{sub 39}EO{sub 26})] in presence of anionic surfactant sodium dodecyl sulfate (SDS) in aqueous solution as a function of temperature has been studied using dynamic light scattering (DLS) and small-angle neutron scattering (SANS). The measurements have been carried out for fixed concentrations (1 wt%) of block copolymer and surfactants. Each of the individual components (block copolymer and surfactant) and the nanoparticle–surfactant mixed system have been examined at varying temperature. The block copolymer P85 forms spherical micelles at room temperature whereas shows sphere-to-rod like micelle transition at higher temperatures. On the other hand, SDS surfactant forms ellipsoidal micelles over a wide temperature range. Interestingly, it is found that phase behavior of mixed micellar system (P85 + SDS) as a function of temperature is drastically different from that of P85, giving the control over the temperature-dependent phase behavior of block copolymers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters. DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.

77 NANOSCIENCE AND NANOTECHNOLOGY↗