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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Particle-in-cell simulation study of the scaling of asymmetric magnetic reconnection with in-plane flow shear

We investigate magnetic reconnection in systems simultaneously containing asymmetric (anti-parallel) magnetic fields, asymmetric plasma densities and temperatures, and arbitrary in-plane bulk flow of plasma in the upstream regions. Such configurations are common in the high-latitudes of Earth's magnetopause and in tokamaks. We investigate the convection speed of the X-line, the scaling of the reconnection rate, and the condition for which the flow suppresses reconnection as a function of upstream flow speeds. We use two-dimensional particle-in-cell simulations to capture the mixing of plasma in the outflow regions better than is possible in fluid modeling. We perform simulations with asymmetric magnetic fields, simulations with asymmetric densities, and simulations with magnetopause-like parameters where both are asymmetric. For flow speeds below the predicted cutoff velocity, we find good scaling agreement with the theory presented in Doss et al. [J. Geophys. Res. 120, 7748 (2015)]. Applications to planetary magnetospheres, tokamaks, and the solar wind are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

On the adiabatic walking of plasma waves in a pulsar magnetosphere

The pulsar radio emission is generated in the near magnetosphere of the neutron star, and it must propagate through the rest of it to emerge into the interstellar medium. An important issue is whether this propagation affects the planes of polarization of the generated radiation. Observationally, there is sufficient evidence that the emerging radiation is polarized parallel or perpendicular to the magnetic field line planes that should be associated with the ordinary (O) and extraordinary (X) plasma modes, respectively, excited by some radiative process. This strongly suggests that the excited X and O modes are not affected by the so-called adiabatic walking that causes a slow rotation of polarization vectors. In this paper, we demonstrate that the conditions for adiabatic walking are not fulfilled within the soliton model of pulsar radio emission, in which the coherent curvature radiation occurs at frequencies much lower than the characteristic plasma frequency, The X mode propagates freely and observationally represents the primary polarization mode. The O mode has difficulty escaping from the pulsar plasma; however, it is sporadically observed as a weaker secondary polarization mode. We discuss a possible scenario under which the O mode can also escape from the plasma and reach an observer.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SU-E-J-222: Feasibility Study of MRI-Only Proton Therapy Planning

Purpose: To assess the dosimetric equivalence of MRI based proton planning vs. single energy x-ray CT. Methods: 8 glioblastoma patients were imaged with CT and MRI after surgical resection. T1-weighted 3DMPRAGE was used to delineate the GTV, which was subsequently rigidly registered to the CT volume. A pseudoCT was generated from the aligned MRI by combining segmentation and atlas-based approaches. The spatial resolution both for pseudo- and real CT was 0.6×0.6×2.5mm. Three orthogonal proton beams were simulated on the pseudoCT. Two co-planar beams were set on the axial plane. The third one was planned parallel to the cranio-caudal (CC) direction. Each beam was set to cover the GTV at 98% of the nominal dose (18Gy). The proton plan was copied and transferred to the real CT, including aperture/compensator geometry. Dose comparison between pseudoCT and CT plan was performed beam-by-beam by quantifying the range shift of dose profile on each slice of the GTV. The GTV’s V{sub 98} was computed for the CT. Results: For beams in axial plane the median absolute value of the range shift was 0.3mm, with 0.9mm and 1.4mm as 95th percentile and maximum, respectively. Worst scenarios were found for the CC beam, where we measured 1.1mm (median), 2.7mm (95thpercentile) and 5mm (maximum). Regardless the direction, beams passing through the surgical site, where metal (Titanium MRI-compatible) staples were present, were mostly affected by range shift. GTV’s V{sub 98} for CT was not lower than 99.3%. Conclusion: The study showed the clinical feasibility of an MRI-alone proton plan. Advantages include the possibility to rely on better soft tissue contrast for target and organs at risk delineation without the need of further CT scan and image registration. Additional investigation is required in presence of metal implants along the beam path and to account for partial volume effects due to slice thickness.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Effect of tensile strain on the electronic structure of Ge: A first-principles calculation

Taking the change of L-point conduction band valley degeneracy under strain into consideration, we investigate the effect of biaxially tensile strain (parallel to the (001), (110), and (111) planes) and uniaxially tensile strain (along the [001], [110], and [111] directions) on the electronic structure of Ge using density functional theory calculations. Our calculation shows that biaxial tension parallel to (001) is the most efficient way to transform Ge into a direct bandgap material among all tensile strains considered. [111]-tension is the best choice among all uniaxial approaches for an indirect- to direct-bandgap transition of Ge. The calculation results, which are further elaborated by bond-orbital approximation, provide a useful guidance on the optical applications of Ge through strain engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

The Effects of Specimen Geometry on the Plastic Deformation of AA 2219-T8 Aluminum Alloy Under Dynamic Impact Loading

The effects of specimen geometry on shear strain localization in AA 2219-T8 aluminum alloy under dynamic impact loading were investigated. The alloy was machined into cylindrical, cuboidal and conical (frustum) test specimens. Both deformed and transformed adiabatic shear bands developed in the alloy during the impact loading. The critical strain rate for formation of the deformed band was determined to be 2500 s{sup −1} irrespective of the specimen geometry. The critical strain rate required for formation of transformed band is higher than 3000 s{sup −1} depending on the specimen geometry. The critical strain rate for formation of transformed bands is lowest (3000 s{sup −1}) in the Ø5 mm × 5 mm cylindrical specimens and highest (> 6000 s{sup −1}) in the conical specimens. The cylindrical specimens showed the greatest tendency to form transformed bands, whereas the conical specimen showed the least tendency. The shape of the shear bands on the impacted plane was also observed to be dependent on the specimen geometry. Whereas the shear bands on the compression plane of the conical specimens formed elongated cycles, two elliptical shaped shear bands facing each other were observed on the cylindrical specimens. Two parallel shear bands were observed on the compression planes of the cuboidal specimens. The dynamic stress–strain curves vary slightly with the specimen geometry. The cuboidal specimens exhibit higher tendency for strain hardening and higher maximum flow stress than the other specimens. The microstructure evolution leading to the formation of transformed bands is also discussed in this paper.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Theoretical modeling of the interaction of phenylacetylene and styrene molecules with Pd{111}

The DFT-PBE method was used to calculate the structural and energy characteristics of all possible adsorption complexes of phenylacetylene (PA) and styrene (St) molecules with the Pd{111} surface. According to the calculations, the acetylene group of the PA molecule in the energetically preferred complexes is bound to three or four Pd atoms and the plane of the phenyl ring is parallel to the Pd surface. In the case of deficiency of fcc sites, the phenyl ring of the PA molecule is displaced from the Pd{111} surface. The number of Pd atoms required for the compact adsorption of two PA molecules is the same as that for the adsorption of one St molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Microstructural Analysis and Texture Evolution of the CVCEDed AZ31 Magnesium Alloy by Hot Rolling

Grain refinement is one of the important methods to improve the performance of magnesium alloy sheets. This paper attempts to prepare the billets of AZ31 magnesium alloy sheets by continuous variable cross-section direct extrusion (CVCDE) and then prepare sheets by rolling. The results show that the average grain size of the sheets rolled from extruded products by CVCDE with 2 interim dies reduced by 30% and the tensile strength increased by 12.6% compared with the sheets rolled from extruded products by traditional extrusion (CE), which is related to the dislocation multiplication in the corresponding conditions. The high dislocation density hinders the plastic deformation of the material, which is one of the internal factors that cause the increase in the strength of the material and the decrease in the plasticity. In addition, the basal surface of a lot of grains of the sheets rolled from extruded products by CVCDE with 2 interim dies is parallel to the RD-TD plane and the strength of texture is high. Meanwhile, the value of average Schmid factor of the sheets rolled from extruded products by CVCDE with 2 interim dies along the rolling direction is lowest, which result in lower plasticity. The above research provides a new idea for the development of high-performance magnesium alloy sheets.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Flexible Quasi-Two-Dimensional CoFe 2 O 4 Epitaxial Thin Films for Continuous Strain Tuning of Magnetic Properties

Epitaxial thin films of CoFe 2 O 4 (CFO) have successfully been transferred from a SrTiO 3 substrate onto a flexible polyimide substrate. By bending the flexible polyimide, different levels of uniaxial strain are continuously introduced into the CFO epitaxial thin films. Unlike traditional epitaxial strain induced by substrates, the strain from bending will not suffer from critical thickness limitation, crystalline quality variation, and substrate clamping, and more importantly, it provides a more intrinsic and reliable way to study strain-controlled behaviors in functional oxide systems. It is found that both the saturation magnetization and coercivity of the transferred films can be changed over the bending status and show a high accord with the movement of the curvature bending radius of the polyimide substrate. Lastly, this reveals that the mechanical strain plays a critical role in tuning the magnetic properties of CFO thin films parallel and perpendicular to the film plane direction.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Comprehensive Fe-ligand vibration identification in {FeNO} 6 Hemes

Oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS) has been used to obtain all iron vibrations in two {FeNO} 6 porphyrinate complexes, five-coordinate [Fe(OEP)(NO)]ClO 4 and six-coordinate [Fe(OEP)(2-MeHIm)(NO)]ClO 4 . A new crystal structure was required for measurements of [Fe(OEP)(2-MeHIm)(NO)]ClO 4 , and the new structure is reported herein. Single crystals of both complexes were oriented to be either parallel or perpendicular to the porphyrin plane and/or axial imidazole ligand plane. Thus, the FeNO bending and stretching modes can now be unambiguously assigned; the pattern of shifts in frequency as a function of coordination number can also be determined. The pattern is quite distinct from those found for CO or {FeNO} 7 heme species. This is the result of unchanging Fe–N NO bonding interactions in the {FeNO} 6 species, in distinct contrast to the other diatomic ligand species. DFT calculations were also used to obtain detailed predictions of vibrational modes. Predictions were consistent with the intensity and character found in the experimental spectra. The NRVS data allow the assignment and observation of the challenging to obtain Fe–Im stretch in six-coordinate heme derivatives. Furthermore, NRVS data for this and related six-coordinate hemes with the diatomic ligands CO, NO, and O 2 reveal a strong correlation between the Fe–Im stretch and Fe–N Im bond distance that is detailed for the first time.

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

Confined lattice dynamics of single and quadruple SnSe bilayers in [(SnSe) 1.04 ] m [MoSe 2 ] n ferecrystals

The Sn specific densities of phonon states in the SnSe subunits of [(SnSe) 1.04 ] m [MoSe 2 ] n ferecrystals with (m,n) = (1,1), (4,1) and in bulk SnSe were derived from nuclear inelastic scattering by the 119 Sn M ssbauer resonance. When using different measurement configurations, phonons with polarization parallel and perpendicular to the ferecrystal plane were specifically probed. Vibrational properties and phonon spectral weight are found to strongly depend on the phonon polarization and layer count m. Moreover, a highly peculiar feature of these ferecrystal densities of phonon states is the emergence of rather sharp high energy vibrational modes polarized perpendicular to the ferecrystal plane, which contrasts with usual findings in thin layered structures and nanostructured materials in general, and a depletion of modes with a gap appearing between acoustic and high energy modes. The spectral weight of these phonons depends on the overall SnSe content, m, but cannot be unambiguously attributed to SnSe MoSe 2 interfaces. Considering the low energy part of lattice dynamics, ferecrystals exhibit rather low average phonon group velocities as compared to the speed of sound in the long wavelength limit. For the (1,1) ferecrystal, this effect is most pronounced for vibrations polarized in the ferecrystal plane. Therefore, an experimental microscopic origin for the vibrational and bonding anisotropy in subunits of ferecrystals is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electronic configurations and magnetic anisotropy in organometallic metallocenes

Electronic configurations and magnetic anisotropy of organometallic metallocenes (MCp{sub 2}s) were investigated by means of first principles calculations based on the constraint density functional theory. The results predict that the ground states for M = Cr, Mn, Fe, Co, and Ni are the {sup 3}E{sub 2g}, {sup 2}E{sub 2g}, {sup 1}A{sub 1g}, {sup 2}E{sub 1g}, and {sup 3}A{sub 2g} states, respectively. The magnetizations of the CoCp{sub 2} and NiCp{sub 2} energetically favor highly orienting along the perpendicular and parallel directions to the cyclopentadienyl (Cp) plane, respectively, and the others show almost no preference for the magnetic easy axis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Self-propelled sweeping removal of dropwise condensate

Dropwise condensation can be enhanced by superhydrophobic surfaces, on which the condensate drops spontaneously jump upon coalescence. However, the self-propelled jumping in prior reports is mostly perpendicular to the substrate. Here, we propose a substrate design with regularly spaced micropillars. Coalescence on the sidewalls of the micropillars leads to self-propelled jumping in a direction nearly orthogonal to the pillars and therefore parallel to the substrate. This in- plane motion in turn produces sweeping removal of multiple neighboring drops. The spontaneous sweeping mechanism may greatly enhance dropwise condensation in a self-sustained manner.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spin-polarization inversion at small organic molecule/Fe{sub 4}N interfaces: A first-principles study

We report the first-principles calculations on the electronic structure and simulation of the spin-polarized scan tunneling microscopy graphic of the small organic molecules (benzene, thiophene, and cyclopentadienyl)/Fe{sub 4}N interfaces. It is found that the plane of benzene and thiophene keeps parallel to Fe{sub 4}N surface, while that of cyclopentadienyl does not. For all the systems, the organic molecules bind strongly with Fe{sub 4}N. Due to the hybridization between molecule p{sub z} orbitals and d orbitals of Fe, i.e., Zener interaction, all the three systems realize the spin-polarization inversion, whereas the spatial spin-polarization inversion distribution shows different intensities influenced by the competition between the spin polarization of C p{sub z} and Fe d states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A versatile rotary-stage high frequency probe station for studying magnetic films and devices

We present a rotary-stage microwave probe station suitable for magnetic films and spintronic devices. Two stages, one for field rotation from parallel to perpendicular to the sample plane (out-of-plane) and the other intended for field rotation within the sample plane (in-plane) have been designed. The sample probes and micro-positioners are rotated simultaneously with the stages, which allows the field orientation to cover θ from 0{sup ∘} to 90{sup ∘} and φ from 0{sup ∘} to 360{sup ∘}. θ and φ being the angle between the direction of current flow and field in a out-of-plane and an in-plane rotation, respectively. The operation frequency is up to 40 GHz and the magnetic field up to 1 T. The sample holder vision system and probe assembly are compactly designed for the probes to land on a wafer with diameter up to 3 cm. Using homemade multi-pin probes and commercially available high frequency probes, several applications including 4-probe DC measurements, the determination of domain wall velocity, and spin transfer torque ferromagnetic resonance are demonstrated.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Infrared phonons as a probe of spin-liquid states in herbertsmithite ZnCu 3 (OH) 6 Cl 2

We report on temperature dependence of the infrared reflectivity spectra of a single crystalline herbertsmithite in two polarizations-parallel and perpendicular to the kagome plane of Cu atoms. We observe anomalous broadening of the low frequency phonons possibly caused by fluctuations in the exotic dynamical magnetic order of the spin liquid.

infrared↗
DOE OSTI2019

Polarization-resolved Raman spectroscopy of α – RuCl 3 and evidence of room-temperature two-dimensional magnetic scattering

Polarization-resolved Raman spectroscopy was performed and analyzed from large, high-quality, monodomain single crystal of α–RuCl 3 , a proximate Kitaev quantum spin liquid. Spectra were collected with laser polarizations parallel and perpendicular to the honeycomb plane. Pairs of nearly degenerate phonons were discovered and show either a fourfold or twofold polarization angle dependence in their Raman intensity, thereby providing evidence to definitively assign the bulk crystal point group as C 2h . The low-frequency continuum that is often attributed to scattering from pairs of Majorana fermions was also examined and found to disappear when the laser excitation and scattered photon polarizations were perpendicular to the honeycomb plane. This disappearance, along with the behavior of the phonon spectrum in the same polarization configuration, strongly suggests that the scattering continuum is two-dimensional. Here, we argue that this scattering continuum originates from the Kitaev magnetic interactions that survives up to room temperature, a scale larger than the bare Kitaev exchange energy of approximately 50 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Impact of the modulation doping layer on the ν = 5/2 anisotropy

We have carried out a systematic study of the tilted magnetic field induced anisotropy at the Landau level filling factor ν = 5/2 in a series of high quality GaAs quantum wells, where the setback distance (d) between the modulation doping layer and the GaAs quantum well is varied from 33 to 164 nm. We have observed that in the sample of the smallest d, electronic transport is anisotropic when the in-plane magnetic field (B ip ) is parallel to the [1–10] crystallographic direction, but remains more or less isotropic when B ip // [110]. In contrast, in the sample of largest d, electronic transport is anisotropic in both crystallographic directions. Lastly, our results clearly show that the modulation doping layer plays an important role in the tilted field induced ν = 5/2 anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗