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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

System and method for testing missile components

A testing system for testing a missile component having a sense axis includes a centrifuge, a support arm, an orientation assembly, and a controller. The centrifuge rotates the orientation assembly about a vertical axis in a substantially horizontal plane. The orientation assembly includes a first motor, a first gimbal, and a gimballed support. The first motor has a first rotatable shaft defining a first gimbal axis. The first gimbal is coupled with the first rotatable shaft to rotate about the first gimbal axis while the centrifuge rotates the orientation assembly about the vertical axis such that missile component is simultaneously rotated about both the vertical axis and the first gimbal axis to simulate a missile launch of the missile component. The gimballed support is coupled with the first gimbal for supporting the missile component such that the sense axis of the missile component is not parallel to the substantially horizontal plane. The orientation assembly may also include a second gimbal that is rotated about a second gimbals axis by a second motor.

Prewitt, Steven Forrest↗
DOE OSTI2023

System and method for testing missile components

A testing system for testing a missile component having a sense axis includes a centrifuge, a support arm, an orientation assembly, and a controller. The centrifuge rotates the orientation assembly about a vertical axis in a substantially horizontal plane. The orientation assembly includes a first motor, a first gimbal, and a gimballed support. The first motor has a first rotatable shaft defining a first gimbal axis. The first gimbal is coupled with the first rotatable shaft to rotate about the first gimbal axis while the centrifuge rotates the orientation assembly about the vertical axis such that missile component is simultaneously rotated about both the vertical axis and the first gimbal axis to simulate a missile launch of the missile component. The gimballed support is coupled with the first gimbal for supporting the missile component such that the sense axis of the missile component is not parallel to the substantially horizontal plane. The orientation assembly may also include a second gimbal that is rotated about a second gimbals axis by a second motor.

Prewitt, Steven Forrest↗
DOE OSTI2017

In-situ Neutron Diffraction Analysis of Crystal Plasticity of Retained Austenite in Bearing Steel

The presence of retained austenite in bearing steels can have a significant effect on the mechanical response of the material at varying length scales. Since retained austenite is metastable and cannot be produced independently without martensite/carbides, the key physical data on elastic-plastic behaviour is absent. In order to address this issue, this study investigates the transformation behaviour of retained austenite using in-situ neutron diffraction during uniaxial tensile testing of through hardened A485 (Grade 1) bearing steel. The study showed that retained austenite does not transform until the yield point of 1.0 GPa, and the transformation suddenly initiates once the true stress exceeds the macroscopic yield point. Analysis of the lattice strain and evolution of peak intensities showed that most of the deformation is accommodated by the retained austenite with <200> crystallographic direction parallel to the loading direction (LD). Analysis further revealed that these austenite planes were transformed into martensite with <211> direction parallel with the LD.

Bedekar, Vikram↗
DOE OSTI2021

Substantial reduction of the anisotropy in the critical current densities J c of Ni-doped CaKFe 4 As 4 single crystals by chemical and irradiation-induced disorder

Here, we demonstrate that the anisotropy in the critical current densities, J c , of CaK(Fe 1–x Ni x ) 4 As 4 (x = 0, 0.015, 0.025, and 0.030) single crystals reduces with increasing chemical and irradiation-induced disorder. The magnetic field dependences of J c are analyzed by performing magnetization measurements with H applied parallel and perpendicular to the crystallographic c-axis. The results show that undoped crystals display large anisotropies in Jc due to an enhancement of the vortex pinning with H applied parallel to the crystallographic ab-planes. This anisotropy reduces substantially as Ni addition increases. Moreover, we found that random disorder introduced by proton irradiation enhances mainly the vortex pinning for H parallel to the c-axis. Consequently, using adequate fluencies, the vortex pinning at low temperatures in both undoped and doped samples becomes close to isotropic. These results make the CaKFe 4 As 4 system promising for applications that require isotropic J c under magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Linear delta systems, hexapod systems, and related methods

A linear delta system includes a support frame, rails mounted to the support frame, linear actuators, each linear actuator configured to translate along a longitudinal length of a respective rail, pairs of parallel rods each coupled to the linear actuators, a platform coupled to a longitudinal end of each of the pairs of parallel rods opposite the respective linear actuator, and an object coupled to the platform. Longitudinal axes of the rails are oriented parallel to each other and lie within a common plane or an uncommon plane. A method of forming a linear delta system includes mounting rails to a support frame, the rails having longitudinal axes that are parallel to each other and lying within a common plane, coupling a linear actuator to each of the rails, coupling a pair of parallel rods to each linear actuator, and coupling a platform to the pairs of parallel rods.

Crawford, Anthony L.↗
DOE OSTI2018

Microlite orientation in obsidian flow measured by synchrotron X-ray diffraction

Clinopyroxene and plagioclase (andesine) microlites in an obsidian flow from Glass Mountain (NE California, USA) display strong alignment. Synchrotron X-ray diffraction, coupled with Rietveld analysis, was used to quantify crystallographic-preferred orientation (CPO). Clinopyroxene, with a rod-shaped morphology, shows a strong alignment of [001] in the flow direction and (010) aligned parallel to the inferred flow plane. Andesine, with a platy morphology, displays an alignment of (010) platelets in the flow plane. Some pole densities exceed 90 multiples of random distribution. Applying a model of rigid ellipsoidal inclusions in a viscous matrix, the local pure shear strains are between 2 and 3.

58 GEOSCIENCES↗
DOE OSTI2022

Crystal structure of diclazuril, C 17 H 9 Cl 3 N 4 O 2

The crystal structure of diclazuril has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Diclazuril crystallizes in space group P2 1 /a (#14) with a = 27.02080(18), b = 11.42308(8), c = 5.36978(5) Å, β = 91.7912(7)°, V = 1656.629(15) Å 3 , and Z = 4. The crystal structure consists of layers of molecules parallel to the ac-plane. A strong N–H∙∙∙O hydrogen bond links the molecules into dimers along the a-axis with a graph set R2,2(8). The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2022

Crystal structure of vismodegib, C 19 H 14 Cl 2 N 2 O 3 S

The crystal structure of vismodegib has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Vismodegib crystallizes in space group P2 1 /a (#14) with a = 16.92070(20), b = 10.20235(4), c = 12.16161(10) Å, β = 108.6802(3)°, V = 1988.873(9) Å 3 , and Z = 4. The crystal structure consists of corrugated layers of molecules parallel to the bc-plane. There is only one classical hydrogen bond in the structure, between the amide nitrogen atom and the N atom of the pyridine ring. Pairs of these hydrogen bonds link the molecules into dimers, with a graph set R2,2(14) > a > a. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Crystal structure of deracoxib, C 17 H 14 F 3 N 3 O 3 S

The crystal structure of deracoxib has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Deracoxib crystallizes in space group Pbca (#61) with a = 9.68338(11), b = 9.50690(5), c = 38.2934(4) Å, V = 3525.25(3) Å 3 , and Z = 8. The molecules stack in layers parallel to the ab-plane. N–H∙∙∙O hydrogen bonds link the molecules along the b-axis, in chains with the graph set C1,1(4), as well as more-complex patterns. N–H∙∙∙N hydrogen bonds link the layers. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Crystal structure of oxfendazole, C 15 H 13 N 3 O 3 S

The crystal structure of oxfendazole has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Oxfendazole crystallizes in space group P2 1 /c (#14) with a = 18.87326(26), b = 10.40333(5), c = 7.25089(5) Å, β = 91.4688(10)° V = 1423.206(10) Å 3 , and Z = 4. The crystal structure consists of stacks of the planar portions of the L-shaped molecules, resulting in layers parallel to the bc-plane. Only weak hydrogen bonds are present. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗
DOE OSTI2023

Direct Observation of Twin van der Waals Molecular Chains

The van der Waals (vdW) assemblies are the most common structures of materials. However, directly mapping intermolecular electron clouds of a vdW assembly has never been obtained, even though the intramolecular electron clouds were visualized by atomic-resolution techniques. In this report, we unprecedently mapped the intermolecular electron cloud of the assembles of ethanol molecules via ethyl groups with noncontact atomic force microscopy at 5 K, leading to the first visualization of vdW molecular chains, in which ethanol molecules assemble into twin vdW molecular chains in a reverse parallel configuration on Ag(111) plane. Furthermore, spontaneous order-disorder transitions in the chain were dynamically observed, suggesting its unusual properties different from 2D vdW materials. In conclusion, these findings provide an "eye" to see the atomic world of vdW materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Interfacial Inversion of Stealth Surfactants

Amphiphilic macromolecular surfactants segregate to liquid–liquid interfaces, thereby reducing the interfacial tension and free energy. Here, we investigated “stealth surfactants” in the form of core–shell bottlebrush polymers comprised of pH-responsive diblock copolymer side chains forming a hydrophilic core and a hydrophobic shell, enabling solubility in oil. At liquid–liquid interfaces, these polymers undergo a structural “inversion”, with hydrophilic blocks segregating into the aqueous phase and hydrophobic blocks residing in the oil phase. The reconfiguration kinetics and surfactant properties are influenced by multiple factors, including the molecular weights of the backbone and side chain components, the hydrophilic-to-hydrophobic balance of the side chains, and the pH of the aqueous phase. An observed nonmonotonic dependence of interfacial tension with time is attributed to a progressive structural inversion, where the projected area of the macromolecule onto the interface decreases. To validate this inversion hypothesis, interfacial properties were characterized by sum-frequency generation vibrational spectroscopy, which revealed configurational changes of the core–shell bottlebrush polymers at the fluid interface and revealed a pH-dependent interfacial coverage. Coarse-grained molecular dynamics simulations supported these experimental findings, showing that the pH-responsive core and hydrophobic shell assume a time-averaged configuration with orientations parallel and perpendicular to the plane of the interface, respectively. These findings open routes to design multistimuli-responsive polymeric surfactants and compatibilizers, expanding their potential applications in advanced interfacial systems.

Stealth surfactants↗
DOE OSTI2019

High resolution ENDOR spectroscopy combined with quantum chemical calculations reveals the structure of the nitrogenase Janus intermediate E4(4H)

We have shown that the key state in N2 reduction to two NH3 by the enzyme nitrogenase is the E4(4H), ‘Janus’ intermediate, which has accumulated four [e-/H+] and is poised to undergo reductive elimination of H2 coupled to N2 binding and activation. Initial 1H and 95Mo ENDOR studies of freeze-trapped E4(4H) revealed the catalytic multi-metallic cluster (FeMo-co) binds two Fe-bridging hydrides, [Fe-H-Fe]. However, the analysis failed to provide a satisfactory picture of structure - the relative spatial relationships of the two [Fe-H-Fe]. Our recent density functional theory (DFT) study yielded a lowest-energy form, denoted E4(4H)(a), with two parallel Fe-H-Fe planes bridging pairs of ‘anchor’ Fe on the Fe2,3,6,7 face of FeMo-co. However, the relative energies of structures E4(4H)(b), with one bridging and one terminal hydride, and E4(4H)(c), with one pair of anchor Fe supporting two bridging hydrides, were not beyond the uncertainties of the calculation. Moreover, a structure of V-dependent nitrogenase resulted in a proposed structure analogous to E4(4H)(c), and additional structures have been proposed by DFT studies of others. To resolve the nature of hydride binding to the Janus intermediate, we performed exhaustive, high-resolution CW-stochastic 1H-ENDOR experiments using improved instrumentation, Mims 2H ENDOR, and a pulsed-ENDOR protocol (‘PESTRE’) to obtain absolute hyperfine-interaction signs. These measurements are coupled to DFT structural models through an analytical point-dipole Hamiltonian for the hydride electron-nuclear dipolar coupling to its ‘anchoring’ Fe ions, an approach that overcomes limitations inherent in both experimental interpretation and computational accuracy. The result: the freeze-trapped, lowest-energy Janus intermediate structure is E4(4H)(a).

Hoeke, Veronica↗
DOE OSTI2015

First-principles assessment of hole transport in pure and Li-doped NiO

Alloying nickel oxide (NiO) with lithium oxide (Li 2 O) at high Li concentrations may reduce NiO's band gap and expand its use as a light absorber in photocatalytic and tandem dye-sensitized solar cell technologies. In this work, we evaluate the viability of this alloy as a p-type hole transport material. We use embedded cluster models, along with unrestricted Hartree–Fock and complete active space self-consistent field theories, to study the impact of alloying on polaronic transport of holes. Our calculated energy barrier for hole transfer in undoped NiO is in excellent agreement with the experimental value of ~0.1 eV. We predict that hole transport in NiO is anisotropic and mostly confined parallel to the (111) ferromagnetic planes. Applying the same model to Li-doped NiO indicates that isolated Li ions do not introduce free holes into NiO samples. However, free holes can be created in the homogeneous Li 0.125 Ni 0.875 O alloy, in which the Li concentration is very high. Our kinetic Monte Carlo calculations show that hole mobility in this alloy is lower than in undoped NiO. However, the additional free holes and the predicted lower band gap of Li 0.125 Ni 0.875 O should increase hole conductivity compared to NiO upon alloy formation. Therefore, Li 0.125 Ni 0.875 O alloys have potential for use as a hole transporter, as well as a sunlight absorber, in a variety of solar energy applications.

25 ENERGY STORAGE↗
DOE OSTI2015

Metastable bcc phase formation in 3d ferromagnetic transition metal thin films sputter-deposited on GaAs(100) substrates

Co{sub 100−x}Fe{sub x} and Ni{sub 100−y}Fe{sub y} (at. %, x = 0–30, y = 0–60) films of 10 nm thickness are prepared on GaAs(100) substrates at room temperature by using a radio-frequency magnetron sputtering system. The detailed growth behavior is investigated by in-situ reflection high-energy electron diffraction. (100)-oriented Co and Ni single-crystals with metastable bcc structure are formed in the early stage of film growth, where the metastable structure is stabilized through hetero-epitaxial growth. With increasing the thickness up to 2 nm, the Co and the Ni films start to transform into more stable hcp and fcc structures through atomic displacements parallel to bcc(110) slide planes, respectively. The stability of bcc phase is improved by adding a small volume of Fe atoms into a Co film. The critical thickness of bcc phase formation is thicker than 10 nm for Co{sub 100−x}Fe{sub x} films with x ≥ 10. On the contrary, the stability of bcc phase for Ni-Fe system is less than that for Co-Fe system. The critical thicknesses for Ni{sub 100−y}Fe{sub y} films with y = 20, 40, and 60 are 1, 3, and 5 nm, respectively. The Co{sub 100−x}Fe{sub x} single-crystal films with metastable bcc structure formed on GaAs(100) substrates show in-plane uniaxial magnetic anisotropies with the easy direction along GaAs[011], similar to the case of Fe film epitaxially grown on GaAs(100) substrate. A Co{sub 100−x}Fe{sub x} film with higher Fe content shows a higher saturation magnetization and a lower coercivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electrodeposited Co{sub 93.2}P{sub 6.8} nanowire arrays with core-shell microstructure and perpendicular magnetic anisotropy

We demonstrate the formation of an unusual core-shell microstructure in Co{sub 93.2}P{sub 6.8} nanowires electrodeposited by alternating current (ac) in an alumina template. By means of transmission electron microscopy, it is shown that the coaxial-like nanowires contain amorphous and crystalline phases. Analysis of the magnetization data for Co-P alloy nanowires indicates that a ferromagnetic core is surrounded by a weakly ferromagnetic or non-magnetic phase, depending on the phosphor content. The nanowire arrays exhibit an easy axis of magnetization parallel to the wire axis. For this peculiar composition and structure, the coercivity values are 2380 ± 50 and 1260 ± 35 Oe, parallel and perpendicular to the plane directions of magnetization, respectively. This effect is attributed to the core-shell structure making the properties and applications of these nanowires similar to pure cobalt nanowires with an improved perpendicular anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗