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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

From Waste-Heat Recovery to Refrigeration: Compositional Tuning of Magnetocaloric Mn 1+ x Sb

Magnetic refrigeration, as well as waste-heat recovery, can be accomplished through the magnetocaloric effect, where temperature changes the magnetic state of a material or vice versa. Promising magnetocaloric materials display large changes in magnetic entropy (ΔS M ) upon application of a moderate magnetic field and are often associated with magnetic materials possessing some degree of magnetostructural coupling. In such compounds, the magnetic transition is coupled to some structural transition at the ordering temperature, and indicators for these are readily calculated by the magnetic deformation proxy Σ M . MnSb, with a Curie temperature T C = 577 K, has a calculated magnetic deformation of Σ M = 5.9% and is a promising candidate material for waste-heat recovery. The temperature dependence of structural, magnetic, and magnetocaloric properties of Mn 1+ x Sb, where $x$ is a tunable amount of interstitial Mn, is studied here. specifically, excess Mn is incorporated as an interstitial whose magnetic moment is antialigned with the stoichiometric Mn, and the excess Mn has the effect of lowering T C , such that the Curie temperature can be tuned from 577 K to nearly room temperature at 318 K for $x$ = 0.2. For $x$ = 0.0, 0.1, and 0.2, values of ΔS M under a maximum magnetic field $H$ = 5 T are found to be 3.65, 3.00, and 2.83 J K -1 kg -1 , respectively. While the maximum ΔS M decreases with $x$, the high refrigerant capacity a more holistic measure of performance-is retained in this highly tunable system.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Martensite crystal structure in Ru-based high temperature shape memory alloys

Highlights: • A three level twinned microstructure is recognized in the β″ phase. • Wavy contrast boundaries which are typical for translation interfaces • Displacements are translations of tetragonal β′ phase, lost during transformation. • Six times bigger monoclinic cell is characterized by the disappearance of 5 translations. - Abstract: High temperature shape memory alloys RuNb and RuTa were investigated by X-ray diffraction in order to determine the structure of the low temperature β” martensite. Powder X-ray diffraction and Rietveld analysis confirm the monoclinic symmetry and allow a precise determination of the atom positions. The low temperature microstructure is the result of a martensitic transformation from a tetragonal β′ martensite. The analysis of how it is controlled by the space groups of the two phases and by their relative orientation is performed by transmission electron microscopy. A three level twinned microstructure is recognized in the β” phase. The investigation at the smallest scale twins reveals the presence of wavy contrast boundaries which are typical for translation interfaces. High resolution transmission electron microscopy images, accompanied by phase contrast imaging analysis, have been used to determine the translation vectors associated to the interfaces. These displacements are the translations of the tetragonal β′ phase which are lost during the transformation. The combination of X-ray diffraction and transmission electron microscopy investigation allows the suggestion of a global distortion mechanism that explains the atomic displacements in the β” form.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Antihypoxic activity of adaptaquin enantiomers

Adaptaquin, 7-{(4-chlorophenyl)[(3-hydroxypyridin-2-yl)amino]methyl}quinolin-8-ol (1), was identified in our earlier study as a hypoxia-inducible factor (HIF) prolyl hydroxylase inhibitor by high-throughput screening of cell lines, which stably express the reporter construct encoding a fusion protein composed of the HIF oxygen degradable domain and firefly luciferase (HIF1 ODD-luc). Adaptaquin is a specific inhibitor of this enzyme and exhibits neuroprotective properties in cell models of oxidative stress and in vivo models of hemorrhagic stroke. The role of the chiral carbon atom in the inhibitor molecule was studied in order to further improve the adaptaquin structure. The separation into two enantiomers was performed. Both enantiomers were shown to equally activate the HIF1 ODD-luc reporter. The adaptaquin structure can be significantly modified and made more sophisticated in order to improve specificity toward this group of enzymes and subsequently toward individual isozymes.

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

A new layered kagome strip structure Na 2 Co 3 (AsO 4 ) 2 (OH) 2 : static and dynamic magnetic properties

One-dimensional kagome strip chains share much of the same frustrated structural motif as two-dimensional kagome antiferromagnets, making them valuable for deepening our understanding of kagome lattice magnetism. In this paper, we report the hydrothermal synthesis and detailed structural and property characterization of Na 2 Co 3 (AsO 4 ) 2 (OH) 2 , a striped kagome system. The crystal structure was characterized using single crystal X-ray diffraction which reveals that Na 2 Co 3 (AsO 4 ) 2 (OH) 2 crystallizes in monoclinic crystal system C2/m. The structure features a one-dimensional kagome strip lattice built from Co 2+ ions and undergoes an antiferromagnetic transition at T N = 14 K. The magnetic ground state at zero field was characterized using neutron powder diffraction. Below the magnetic transition, Na 2 Co 3 (AsO 4 ) 2 (OH) 2 orders into an antiferromagnetic structure with a k-vector (0.5, 0.5, 0.5). In the proposed model, the Co1 moment is predominantly confined to the ac-plane while the Co2 moment is primarily aligned along the b-axis. Two flat bands were observed in the inelastic neutron spectra below the magnetic transition, 5 and 10 meV. Inelastic neutron spectra were modeled with a Heisenberg Hamiltonian including three nearest-neighbor exchange interactions (J 1 , J 2 , J 3 ) and strong single-ion anisotropy to stabilize the observed magnetic structure. Our study highlights the complexity of Co 2+ -based kagome strip magnetic lattice compound Na 2 Co 3 (AsO 4 ) 2 (OH) 2 which provides an excellent platform to broaden our understanding of the frustrated kagome magnetic lattice space.

Liurukara, Duminda S. [Oak Ridge National Laborato↗
NASA NTRSDate not supplied

An Interactive MATLAB Program for Fitting Transfer Functions to Frequency Responses

A computer program called FRFit (Frequency Response Fitting) for matching single-input single-output (SISO) transfer function models to empirical frequency response data is described. The program was written in MATLAB and has a graphical user interface (GUI). It is interactive in that the user manually builds the transfer function model using ``elementary factors'' (gain, delay, differentiators and integrators, and first- and second-order poles and zeros) and adjusts their values with sliders or entry fields. A nonlinear optimization can also be used to determine maximum-likelihood estimates of the transfer function parameters and their associated uncertainties. The program has some usefulness as a teaching aid, and can be applied to model structure determination, reduced-order modeling, preliminary analysis, and other system identification problems. FRFit is demonstrated using example problems, including the identification of aircraft transfer functions and rational function approximations of Theodorsen's function.

Frequency response↗
NASA NTRS1995

Analysis of helioseismic wave fields to examine horizontal structures

A preliminary inversion procedure that carries out a local area analysis on simulated oscillation data is presented and discussed. The procedure is carried out in order to deduce two dimensional subsurface structures in the horizontal plane, representative of thermal variations, as a function of depth. The aim is the evaluation of an inversion procedure that utilizes information gained from the phase distortion occurring in artificially generated acoustic waves in order to determine the subsurface thermal structure. These distortions would naturally occur as a direct consequence of convective motions in the solar interior.

Julien, K. A.↗
DOE OSTI2019

Novel Ordered Rocksalt-Type Lithium-Rich Li 2 Ru 1–x Ni x O 3-δ (0.3 ≤ x ≤ 0.5) Cathode Material with Tunable Anionic Redox Potential

In this work, a series of ordered rocksalt (OR) type Li-rich Li 2 Ru 1–x Ni x O 3-δ (LRN x O, 0.3 ≤ x ≤ 0.5) are successfully synthesized and investigated for the first time. X-ray diffraction and neutron powder diffraction patterns exhibit an obvious phase transition from layered to an OR structure as the Ni content gradually increases from x = 0 to x = 0.5, which leads to different electrochemical behaviors. In the case of OR-LRN 0.4 O, an ~350 mV decrease of the oxygen oxidation potential compared with Li 2 RuO 3 (LRO) is observed from around 4.2 to 3.85 V, which is confirmed by both X-ray photelectron O 1s spectra and dQ/dV results. Additionally, the role of Ni substitution on the oxygen redox reaction is studied by first-principles calculations, and it is concluded that the formation of the OR structure caused by Ni substitution is the main reason for lowering the oxygen oxidation potential. In addition, the average discharge voltage of OR-LRN 0.4 O is also enhanced compared with LRO. This work provides a novel innovative strategy to modulate and control the oxygen anion redox reaction for high-energy-density Li-rich materials, which shed light on the fundamental understanding and optimizing of the anion redox process in Li-rich materials.

25 ENERGY STORAGE↗
DOE OSTI2022

Three-dimensional hierarchically porous MoS 2 foam as high-rate and stable lithium-ion battery anode

Architected materials that actively respond to external stimuli hold tantalizing prospects for applications in energy storage, wearable electronics, and bioengineering. Molybdenum disulfide, an excellent two-dimensional building block, is a promising candidate for lithium-ion battery anode. However, the stacked and brittle two-dimensional layered structure limits its rate capability and electrochemical stability. Here we report the dewetting-induced manufacturing of two-dimensional molybdenum disulfide nanosheets into a three-dimensional foam with a structural hierarchy across seven orders of magnitude. Our molybdenum disulfide foam provides an interpenetrating network for efficient charge transport, rapid ion diffusion, and mechanically resilient and chemically stable support for electrochemical reactions. These features induce a pseudocapacitive energy storage mechanism involving molybdenum redox reactions, confirmed by in-situ X-ray absorption near edge structure. The extraordinary electrochemical performance of molybdenum disulfide foam outperforms most reported molybdenum disulfide-based Lithium-ion battery anodes and state-of-the-art materials. This work opens promising inroads for various applications where special properties arise from hierarchical architecture.

25 ENERGY STORAGE↗
NASA NTRS1989

Control law synthesis and optimization software for large order aeroservoelastic systems

A flexible aircraft or space structure with active control is typically modeled by a large-order state space system of equations in order to accurately represent the rigid and flexible body modes, unsteady aerodynamic forces, actuator dynamics and gust spectra. The control law of this multi-input/multi-output (MIMO) system is expected to satisfy multiple design requirements on the dynamic loads, responses, actuator deflection and rate limitations, as well as maintain certain stability margins, yet should be simple enough to be implemented on an onboard digital microprocessor. A software package for performing an analog or digital control law synthesis for such a system, using optimal control theory and constrained optimization techniques is described.

Mukhopadhyay, V.↗
DOE OSTI2020

Ambient and High Pressure CuNiSb 2 : Metal-Ordered and Metal-Disordered NiAs-Type Derivative Pnictides

The mineral Zlatogorite, CuNiSb 2 , was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb 2 -AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb 2 -AP crystallizes in the NiAs-derived structure ( P 3 m 1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb 6 and CuSb 6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure ( P 6 3 / mm c, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb 2 -AP. The magnetic measurement indicates that CuNiSb 2 -AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb 2 -AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb 2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb 2 -8 GPa) was prepared by pressing CuNiSb 2 -AP at 700 °C and 8 GPa. However, the structures of single crystal and CuNiSb 2 -8 GPa are best fit with a disordered metal structure in the P 3 m 1 space group, corroborated by transmission electron microscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Optimal Full Information Synthesis for Flexible Structures Implemented on Cray Supercomputers

This paper considers an algorithm for synthesis of optimal controllers for full information feedback. The synthesis procedure reduces to a single linear matrix inequality which may be solved via established convex optimization algorithms. The computational cost of the optimization is investigated. It is demonstrated the problem dimension and corresponding matrices can become large for practical engineering problems. This algorithm represents a process that is impractical for standard workstations for large order systems. A flexible structure is presented as a design example. Control synthesis requires several days on a workstation but may be solved in a reasonable amount of time using a Cray supercomputer.

Lind, Rick↗
DOE OSTI2018

Anisotropic Thermal Expansion of p-Terphenyl: a Self-Assembled Supramolecular Array of Poly-p-phenyl Nanoribbons

The recent discovery of superconductivity in a metallic aromatic hydrocarbon, alkali-doped p-terphenyl, has attracted considerable interest. The critical temperature T{sub c} ranges from few to 123 K, the record for organic superconductors, due to uncontrolled competition of multiple phases and dopants concentrations. In the proposed mechanism of Fano resonance in a superlattice of quantum wires with coexisting polarons and Fermi particles, the lattice properties play a key role. Here, we report a study of the temperature evolution of the parent compound p-terphenyl crystal structure proposed to be made of a self-assembled supramolecular network of nanoscale nanoribbons. Using temperature-dependent synchrotron X-ray diffraction, we report the anisotropic thermal expansion in the ab plane, which supports the presence of a nanoscale network of one-dimensional nanoribbons running in the b-axis direction in the P21/a structure. Below the enantiotropic phase transition at 193 K, the order parameter of the C-1 structure follows a power law behavior with the critical exponent α = 0.34 ± 0.02 and the thermal expansion of the a-axis and b-axis show major changes supporting the formation of a two-dimensional bonds network. The large temperature range of the orientation fluctuations in a double well potential of the central phenyl has been determined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2003

Study of Dislocation-Ordered In(x)Ga(1-x)As/GaAs Quantum Dots

A report describes an experimental study of dislocation-induced spatial ordering of quantum dots (QDs) comprising nanometer-sized In(x)Ga(1-x)As islands surrounded by GaAs. Metastable heteroepitaxial structures were grown by molecular-beam epitaxy of In(x)Ga(1-x)As onto n+ GaAs and semi-insulating GaAs substrates. Then the structures were relaxed during a post-growth annealing/self-organizing process leading to the formation of surface undulations that acted as preferential sites for the nucleation of QDs. Structural effects of annealing times and temperatures on the strain-relaxed In(x)Ga(1-x)As/GaAs and the subsequent spatial ordering of the QDs were analyzed by atomic-force microscopy and transmission electron microscopy. Continuous-wave spectral and time-resolved photoluminescence (PL) measurements were performed to study the effects, upon optical properties, of increased QD positional ordering, increased QD uniformity, and proximity of QDs to arrays of dislocations. PL spectral peaks of ordered QD structures formed on strain-relaxed In(x)Ga(1-x)As/GaAs layers were found to be narrower than those of structures not so formed and ordered. Rise and decay times of time-resolved PL were found to be lower at lower temperatures -- apparently as a consequence of decreased carrier-transport times within the barriers surrounding the QDs.

Leon, Rose↗
DOE OSTI2021

Cluster Variation Method Analysis of Correlations and Entropy in BCC Solid Solutions

Solid solutions occur when multiple chemical species share sites of a common crystal lattice. Although the single site occupation is random, chemical interaction preferences bias the occupation probabilities of neighboring sites, and this bias reduced the entropy of mixing below its ideal value. Sufficiently strong bias leads to symmetry-breaking phase transitions. Here, we apply the cluster variation method to explore solid solutions on body centered cubic lattices in the context of two specific compounds that exhibit opposite ordering trends. Employing density functional theory to model the energetics, we show that CuZn exhibits an order-disorder transition to the CsCl prototype structure, while AlLi instead takes the NaTl prototype structure, and we evaluate their temperature-dependent order parameters, correlations and entropies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Grazing-Angle Neutron Diffraction Study of the Water Distribution in Membrane Hemifusion: From the Lamellar to Rhombohedral Phase

The water distribution between lipid bilayers is important in understanding the role of the hydration force at different steps of the membrane fusion pathway. Here in this study, we used grazing-angle neutron diffraction to map out the water distribution in lipid bilayers transiting from a lamellar structure to the hemifusion “stalk” structure in a rhombohedral phase. Under osmotic pressure exerted by different levels of relative humidity, the lipid membrane sample was maintained in equilibrium at different lattices suitable for neutron diffraction. The D 2 O used to hydrate the lipid membrane sample stood out from the lipid in the reconstructed structure because of its much higher coherent neutron scattering length density. The density map indicates that water dissociated from the headgroup in the lamellar phase. In the rhombohedral phase, water was significantly reduced and was squeezed into pockets around the stalk. This study complements earlier structural studies by grazing-angle X-ray diffraction, which is sensitive to only the parts of the structure with high electron density (such as phosphors). The experiment also demonstrated that the recently developed time-of-flight small-angle neutron scattering beamline at the Spallation Neutron Source is suitable for grazing-angle neutron diffraction to provide the structures of large unit cells on the order of a few nanometers, such as biomembrane structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Ta-Nb-Mo-W refractory high-entropy alloys: Anomalous ordering behavior and its intriguing electronic origin

From electronic-structure-based thermodynamic linear response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed—applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys. Near ideal stoichiometry, this alloy has anomalous, intricate chemical ordering tendencies, with long-ranged chemical interactions that produce competing short-range order (SRO) with a crossover to spinodal segregation. This atypical SRO arises from canonical band behavior that, with alloying, creates features near the Fermi surface (well defined even with disorder) that change to simple commensurate SRO with (un)filling of these states. In conclusion, our results reveal how complexity and competing electronic effects control ordering in these alloys.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Numerical study of axial turbulent flow over long cylinders

The effects of transverse curvature are investigated by means of direct numerical simulations of turbulent axial flow over cylinders. Two cases of Reynolds number of about 3400 and layer-thickness-to-cylinder-radius ratios of 5 and 11 were simulated. All essential turbulence scales were resolved in both calculations, and a large number of turbulence statistics were computed. The results are compared with the plane channel results of Kim et al. (1987) and with experiments. With transverse curvature the skin friction coefficient increases and the turbulence statistics, when scaled with wall units, are lower than in the plane channel. The momentum equation provides a scaling that collapses the cylinder statistics, and allows the results to be interpreted in light of the plane channel flow. The azimuthal and radial length scales of the structures in the flow are of the order of the cylinder diameter. Boomerang-shaped structures with large spanwise length scales were observed in the flow.

Neves, J. C.↗
NASA NTRS1991

Interaction dynamics of on-orbit construction

Deployment and assembly of large structures in orbit is a critical technology to the overall problem of orbital construction. The attendant large configuration changes of structures will cause significant changes in the dynamic characteristics of the entire system, and perturbation to the orbital dynamics of the spacecraft from which the structures are deployed and/or assembled. To better design structures for deployment and assembly, and to better design controlled deployment/assembly processes, accurate modeling techniques are absolutely essential. The problem of modeling the dynamics of deploying and retrieving beam-like structures from a rotating base was addressed. A methodology for discrete modeling, and a computational procedure were developed. These results give us the capability of understanding and predicting the effects on the overall satellite motion of deploying flexible appendages. This is an initial step towards a general capability of treating axially moving three-dimensional beams. The interaction dynamics of the orbiter, its flexible manipulator, and the structures to be assembled/deployed, as a prerequisite in order to simulate incremental in-space structural construction processes are investigated. Preliminary results so obtained indicate that, as the inertia properties of the flexible large space structure under construction change during the space assembly/construction process, the interaction dynamics undergo significant changes in their characteristics, thus revealing the need for a variety of control strategies throughout construction.

Park, K. C.↗