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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
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↗
NASA NTRS2006

Electro-Active Transducer Using Radial Electric Field To Produce/Motion Sense Out-Of-Plane Transducer

An electro-active transducer includes a ferroelectric material sandwiched by first and second electrode patterns. When the device is used as an actuator, the first and second electrode patterns are configured to introduce an electric field into the ferroelectric material when voltage is applied to the electrode patterns. When the device is used as a sensor. the first and second electrode patterns are configured to introduce an electric field into the ferroelectric material when the ferroelectric material experiences deflection in a direction substantially perpendicular thereto. In each case, the electrode patterns are designed to cause the electric field to: i) originate at a region of the ferroelectric material between the first and second electrode patterns. and ii) extend radially outward from the region of the ferroelectric material (at which the electric field originates) and substantially parallel to the ferroelectric material s plane.

Bryant, Robert G.↗
NASA NTRS1931

Strength of Rectangular Flat Plates Under Edge Compression

Flat rectangular plates of duralumin, stainless iron, monel metal, and nickel were tested under loads applied at two opposite edges and acting in the plane of the plate. The edges parallel to the direction of loading were supported in V grooves. The plates were all 24 inches long and varied in width from 4 to 24 inches by steps of 4 inches, and in thickness from 0.015 to 0.095 inch by steps of approximately 0.015 inch. There were also a few 1, 2, 3, and 6 inch wide specimens. The loads were applied in the testing machine at the center of a bar which rested along the top of the plate. Load was applied until the plate failed to take any more load. The tests show that the loads carried by the plates generally reached a maximum for the 8 or 12 inch width and that there was relatively small drop in load for the greater widths. Deflection and set measurement perpendicular to the plane of the plate were taken and the form of the buckle determined. The number of buckles were found to correspond in general to that predicted by the theory of buckling of a plate uniformly loaded at two opposite edges and simply supported at the edges.

Schuman, Louis↗
NASA NTRS2014

Size and Shape of the Distant Magnetotail

We employ a global magnetohydrodynamic model to study the effects of the interplanetary magnetic field (IMF) strength and direction upon the cross-section of the magnetotail at lunar distances. The anisotropic pressure of draped magnetosheath magnetic field lines and the inclusion of a reconnection-generated standing slow mode wave fan bounded by a rotational discontinuity within the definition of the magnetotail result in cross-sections elongated in the direction parallel to the component of the IMF in the plane perpendicular to the Sun-Earth line. Tilted cross-tail plasma sheets separate the northern and southern lobes within these cross-sections. Greater fast mode speeds perpendicular than parallel to the draped magnetos heath magnetic field lines result in greater distances to the bow shock in the direction perpendicular than parallel to the component of the IMF in the plane transverse to the Sun-Earth line. The magnetotail cross-section responds rapidly to reconnected magnetic field lines requires no more than the magnetosheath convection time to appear at any distance downstream, and further adjustments of the cross-section in response to the anisotropic pressures of the draped magnetic field lines require no more than 10-20 minutes. Consequently for typical ecliptic IMF orientations and strengths, the magnetotail cross-section is oblate while the bow shock is prolate.

lunar↗
NASA NTRS1982

The crack problem for a nonhomogeneous plane

The plane elasticity problem for a nonhomogeneous medium containing a crack is considered. It is assumed that the Poisson's ratio of the medium is constant and the Young's modulus E varies exponentially with the coordinate parallel to the crack. First the half plane problem is formulated and the solution is given for arbitrary tractions along the boundary. Then the integral equation for the crack problem is derived. It is shown that the integral equation having the derivative of the crack surface displacement as the density function has a simple Cauchy type kernel. Hence, its solution and the stresses around the crack tips have the conventional square root singularity. The solution is given for various loading conditions. The results show that the effect of the Poisson's ratio and consequently that of the thickness constraint on the stress intensity factors are rather negligible.

Delale, F.↗
NASA NTRS1983

The crack problem for a nonhomogeneous plane

The plane elasticity problem for a nonhomogeneous medium containing a crack is considered. It is assumed that the Poisson's ratio of the medium is constant and the Young's modulus E varies exponentially with the coordinate parallel to the crack. First the half plane problem is formulated and the solution is given for arbitrary tractions along the boundary. Then the integral equation for the crack problem is derived. It is shown that the integral equation having the derivative of the crack surface displacement as the density function has a simple Cauchy type kernel. Hence, its solution and the stresses around the crack tips have the conventional square root singularity. The solution is given for various loading conditions. The results show that the effect of the Poisson's ratio and consequently that of the thickness constraint on the stress intensity factors are rather negligible.

Delale, F.↗
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 OSTI2013

High-pressure synthesis, crystal structure and magnetic property of ilmenite-type FeGeO{sub 3}

We synthesized well-crystallized ilmenite-type FeGeO{sub 3} to investigate its structural and magnetic properties. Ilmenite-type FeGeO{sub 3} were synthesized by high-pressure synthesis technique using a Kawai-type multi-anvil apparatus. Their structural and magnetic properties were examined by XRD analysis with Rietveld refinement, transmission electron microscopy, Moessbauer spectroscopy and SQUID-magnetization measurements. The subsequent annealing after the high-pressure synthesis was effective to improve the crystallinity of the ilmenite-type FeGeO{sub 3}. The primary particle size of ilmenite-type FeGeO{sub 3} was {approx}15 nm. Some particles seemed to be covered with non- or poorly crystalline phase even after the annealing, and others showed a lamellar microstructure parallel to the (0 0 1) plane. Theilmenite-type FeGeO{sub 3} showed typical antiferromagnetic behavior with the Neel temperature of 79 K. - Graphical abstract: Crystal structure, transmission electron micrograph and temperature dependent susceptibility of ilmenite-type FeGeO{sub 3}. Highlights: Black-Right-Pointing-Pointer Ilmenite-type FeGeO{sub 3}, a novel polymorphism of FeGeO{sub 3} was successfully synthesized. Black-Right-Pointing-Pointer It was synthesized by using high pressure technique at 23.5 GPa at 500 Degree-Sign C. Black-Right-Pointing-Pointer Subsequent annealing in vacuum was effective to improve the crystallinity. Black-Right-Pointing-Pointer Its primary particle size was {approx}15 nm, and some grains had lamellar microstructure. Black-Right-Pointing-Pointer It showed typical antiferromagnetic behavior with the Neel temperature of 79 K.

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 OSTI2014

Magnetic field role on the structure and optical response of photonic crystals based on ferrofluids containing Co{sub 0.25}Zn{sub 0.75}Fe{sub 2}O{sub 4} nanoparticles

Ferrofluids based on magnetic Co{sub 0.25}Zn{sub 0.75}Fe{sub 2}O{sub 4} ferrite nanoparticles were prepared by co-precipitation method from aqueous salt solutions of Co (II), ZnSO{sub 4}, and Fe (III) in an alkaline medium. Ferrofluids placed in an external magnetic field show properties that make them interesting as magneto-controllable soft photonic crystals. Morphological and structural characterizations of the samples were obtained from Scanning Electron Microscopy and Transmission Electron Microscopy studies. Magnetic properties were investigated with the aid of a vibrating sample magnetometer at room temperature. Herein, the Co{sub 0.25}Zn{sub 0.75}Fe{sub 2}O{sub 4} samples showed superparamagnetic behavior, according to hysteresis loop results. Taking in mind that the Co-Zn ferrite hysteresis loop is very small, our magnetic nanoparticles can be considered soft magnetic material with interesting technological applications. In addition, by using the plane-wave expansion method, we studied the photonic band structure of 2D photonic crystals made of ferrofluids with the same nanoparticles. Previous experimental results show that a magnetic field applied perpendicular to the ferrofluid plane agglomerates the magnetic nanoparticles in parallel rods to form a hexagonal 2D photonic crystal. We calculated the photonic band structure of photonic crystals by means of the effective refractive index of the magnetic fluid, basing the study on the Maxwell-Garnett theory, finding that the photonic band structure does not present any band gaps under the action of applied magnetic field strengths used in our experimental conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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↗