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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

The distribution alloying elements in alnico 8 and 9 magnets: Site preference of ternary Ti, Fe, Co, and Ni additions in DO{sub 3} Fe{sub 3}Al, Co{sub 3}Al, and Ni{sub 3}Al based intermetallic phases

Recently, interest in alnico magnetic alloys has been rekindled due to their potential to substitute for rare-earth based permanent magnets provided modest improvements in their coercivity can be achieved without loss of saturation magnetization. Recent experimental studies have indicated that atomic and magnetic structure of the two phases (one AlNi-based, the other FeCo-based) that comprise these spinodally decomposed alloy is not as simple as previously thought. A key issue that arises is the distribution of Fe, Co, and Ti within the AlNi-based matrix phase. In this paper, we report the results of first-principles calculations of the site preference of ternary alloying additions in DO{sub 3} Fe{sub 3}Al, Co{sub 3}Al, and Ni{sub 3}Al alloys, as models for the aluminide phase. For compound compositions that are Al rich, which correspond to experimental situation, Ti and Fe are found to occupy the α sites, while Co and Ni prefer the γ sites of the DO{sub 3} lattice. An important finding is that the magnetic moments of transition metals in Fe{sub 3}Al and Co{sub 3}Al are ordered ferromagnetically, whereas the Ni{sub 3}Al were found to be nonmagnetic unless the Fe or Co is added as a ternary element.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Understanding the distinctively skewed and heavy tailed character of atmospheric and oceanic probability distributions

The probability distributions of large-scale atmospheric and oceanic variables are generally skewed and heavy-tailed. We argue that their distinctive departures from Gaussianity arise fundamentally from the fact that in a quadratically nonlinear system with a quadratic invariant, the coupling coefficients between system components are not constant but depend linearly on the system state in a distinctive way. In particular, the skewness arises from a tendency of the system trajectory to linger near states of weak coupling. We show that the salient features of the observed non-Gaussianity can be captured in the simplest such nonlinear 2-component system. If the system is stochastically forced and linearly damped, with one component damped much more strongly than the other, then the strongly damped fast component becomes effectively decoupled from the weakly damped slow component, and its impact on the slow component can be approximated as a stochastic noise forcing plus an augmented nonlinear damping. In the limit of large time-scale separation, the nonlinear augmentation of the damping becomes small, and the noise forcing can be approximated as an additive noise plus a correlated additive and multiplicative noise (CAM noise) forcing. Much of the diversity of observed large-scale atmospheric and oceanic probability distributions can be interpreted in this minimal framework.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Solute location in a nanoconfined liquid depends on charge distribution

Nanostructured materials that can confine liquids have attracted increasing attention for their diverse properties and potential applications. Yet, significant gaps remain in our fundamental understanding of such nanoconfined liquids. Using replica exchange molecular dynamics simulations of a nanoscale, hydroxyl-terminated silica pore system, we determine how the locations explored by a coumarin 153 (C153) solute in ethanol depend on its charge distribution, which can be changed through a charge transfer electronic excitation. The solute position change is driven by the internal energy, which favors C153 at the pore surface compared to the pore interior, but less so for the more polar, excited-state molecule. This is attributed to more favorable non-specific solvation of the large dipole moment excited-state C153 by ethanol at the expense of hydrogen-bonding with the pore. It is shown that a change in molecule location resulting from shifts in the charge distribution is a general result, though how the solute position changes will depend upon the specific system. This has important implications for interpreting measurements and designing applications of mesoporous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2016

Detector-device-independent quantum key distribution: Security analysis and fast implementation

One of the most pressing issues in quantum key distribution (QKD) is the problem of detector side-channel attacks. To overcome this problem, researchers proposed an elegant “time-reversal” QKD protocol called measurement-device-independent QKD (MDI-QKD), which is based on time-reversed entanglement swapping. However, MDI-QKD is more challenging to implement than standard point-to-point QKD. Recently, an intermediary QKD protocol called detector-device-independent QKD (DDI-QKD) has been proposed to overcome the drawbacks of MDI-QKD, with the hope that it would eventually lead to a more efficient detector side-channel-free QKD system. Here, we analyze the security of DDI-QKD and elucidate its security assumptions. We find that DDI-QKD is not equivalent to MDI-QKD, but its security can be demonstrated with reasonable assumptions. On the more practical side, we consider the feasibility of DDI-QKD and present a fast experimental demonstration (clocked at 625 MHz), capable of secret key exchange up to more than 90 km.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Microstructure-based model of nonlinear ultrasonic response in materials with distributed defects

Nonlinear ultrasonic technique is one of promising NDE methods for monitoring defect evolution in irradiated nuclear materials. In this work, we have studied the effect of distributed defects on nonlinear ultrasonic response, in particular, the nonlinear parameter ß from the 2nd harmonic wave. A three-dimensional microstructure-based model has been developed for investigating the dynamic interaction between distributed defects and a propagating longitudinal sound wave. Both linear and nonlinear materials are considered. It is known that the 2nd harmonic wave is generated when a monochromatic wave propagates in a nonlinear elastic material. The results show that second phase particles with elastic heterogeneity and lattice mismatch have strong impact on the nonlinear parameter ß. Lattice mismatches have more effect on the nonlinear parameter no matter they are expansion or contraction. The developed model enables one to explore the contributions of different types of defects to the nonlinear ultrasonic signals and shed light on the development of nonlinear ultrasound nondestructive detection of material defects in nuclear reactors.

Second harmonic generation, Scattered distributed ↗
DOE OSTI2012

TRAJECTORIES AND DISTRIBUTION OF INTERSTELLAR DUST GRAINS IN THE HELIOSPHERE

The solar wind carves a bubble in the surrounding interstellar medium (ISM) known as the heliosphere. Charged interstellar dust grains (ISDG) encountering the heliosphere may be diverted around the heliopause or penetrate it depending on their charge-to-mass ratio. We present new calculations of trajectories of ISDG in the heliosphere, and the dust density distributions that result. We include up-to-date grain charging calculations using a realistic UV radiation field and full three-dimensional magnetohydrodynamic fluid + kinetic models for the heliosphere. Models with two different (constant) polarities for the solar wind magnetic field (SWMF) are used, with the grain trajectory calculations done separately for each polarity. Small grains a {sub gr} {approx}< 0.01 {mu}m are completely excluded from the inner heliosphere. Large grains, a {sub gr} {approx}> 1.0 {mu}m, pass into the inner solar system and are concentrated near the Sun by its gravity. Trajectories of intermediate size grains depend strongly on the SWMF polarity. When the field has magnetic north pointing to ecliptic north, the field de-focuses the grains resulting in low densities in the inner heliosphere, while for the opposite polarity the dust is focused near the Sun. The ISDG density outside the heliosphere inferred from applying the model results to in situ dust measurements is inconsistent with local ISM depletion data for both SWMF polarities but is bracketed by them. This result points to the need to include the time variation in the SWMF polarity during grain propagation. Our results provide valuable insights for interpretation of the in situ dust observations from Ulysses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Observation of small-scale anisotropy in the arrival direction distribution of TeV cosmic rays with HAWC

The High-Altitude Water Cherenkov (HAWC) Observatory is sensitive to gamma rays and charged cosmic rays at TeV energies. The detector is still under construction, but data acquisition with the partially deployed detector started in 2013. An analysis of the cosmic-ray arrival direction distribution based on 4.9 × 10{sup 10} events recorded between 2013 June and 2014 February shows anisotropy at the 10{sup –4} level on angular scales of about 10°. The HAWC cosmic-ray sky map exhibits three regions of significantly enhanced cosmic-ray flux; two of these regions were first reported by the Milagro experiment. A third region coincides with an excess recently reported by the ARGO-YBJ experiment. An angular power spectrum analysis of the sky shows that all terms up to ℓ = 15 contribute significantly to the excesses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE GRISM LENS-AMPLIFIED SURVEY FROM SPACE (GLASS). V. EXTENT AND SPATIAL DISTRIBUTION OF STAR FORMATION IN z ∼ 0.5 CLUSTER GALAXIES

We present the first study of the spatial distribution of star formation in z ∼ 0.5 cluster galaxies. The analysis is based on data taken with the Wide Field Camera 3 as part of the Grism Lens-Amplified Survey from Space (GLASS). We illustrate the methodology by focusing on two clusters (MACS 0717.5+3745 and MACS 1423.8+2404) with different morphologies (one relaxed and one merging) and use foreground and background galaxies as a field control sample. The cluster+field sample consists of 42 galaxies with stellar masses in the range 10{sup 8}–10{sup 11} M{sub ⊙} and star formation rates in the range 1–20 M{sub ⊙} yr{sup −1}. Both in clusters and in the field, Hα is more extended than the rest-frame UV continuum in 60% of the cases, consistent with diffuse star formation and inside-out growth. In ∼20% of the cases, the Hα emission appears more extended in cluster galaxies than in the field, pointing perhaps to ionized gas being stripped and/or star formation being enhanced at large radii. The peak of the Hα emission and that of the continuum are offset by less than 1 kpc. We investigate trends with the hot gas density as traced by the X-ray emission, and with the surface mass density as inferred from gravitational lens models, and find no conclusive results. The diversity of morphologies and sizes observed in Hα illustrates the complexity of the environmental processes that regulate star formation. Upcoming analysis of the full GLASS data set will increase our sample size by almost an order of magnitude, verifying and strengthening the inference from this initial data set.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

ON DETERMINING THE SHAPE OF MATTER DISTRIBUTIONS

A basic property of objects, such as galaxies and halos that form in cosmological structure formation simulations, is their shape. Here, we critically investigate shape determination methods that are commonly used in the literature. It is found that using an enclosed integration volume and weight factors r{sup -2} and r{sup -2}{sub ell} (elliptical radius) for the contribution of each particle or volume element in the shape tensor leads to biased axis ratios and smoothing of details when calculating the local shape as a function of distance from the center. To determine the local shape of matter distributions as a function of distance for well-resolved objects (typically more than O(10{sup 4}) particles), we advocate a method that (1) uses an ellipsoidal shell (homoeoid) as an integration volume without any weight factors in the shape tensor and (2) removes subhalos.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

First moments of nucleon generalized parton distributions

We extrapolate the first moments of the generalized parton distributions using heavy baryon chiral perturbation theory. The calculation is based on the one loop level with the finite range regularization. The description of the lattice data is satisfactory, and the extrapolated moments at physical pion mass are consistent with the results obtained with dimensional regularization, although the extrapolation in the momentum transfer to t=0 does show sensitivity to form factor effects, which lie outside the realm of chiral perturbation theory. We discuss the significance of the results in the light of modern experiments as well as QCD inspired models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Precise Study of the Z/{gamma}* Boson Transverse Momentum Distribution in pp Collisions Using a Novel Technique

Using 7.3 fb{sup -1} of pp collisions collected by the D0 detector at the Fermilab Tevatron, we measure the distribution of the variable {phi}{sub {eta}*}, which probes the same physical effects as the Z/{gamma}* boson transverse momentum, but is less susceptible to the effects of experimental resolution and efficiency. A QCD prediction is found to describe the general features of the {phi}{sub {eta}*} distribution, but is unable to describe its detailed shape or dependence on boson rapidity. A prediction that includes a broadening of transverse momentum for small values of the parton momentum fraction is strongly disfavored.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗