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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Summary of in situ epitaxial nucleation and growth measurements

In situ nucleation and growth measurements of Ag and Au on single-crystal PbSe thin films were made using a transmission electron microscope. Properties studied were polymorphism, crystalline perfection, and the stoichiometric composition of the initial and the autoepitaxially thickened PbSe substrates. The quantitative nucleation and cluster growth measurements were limited to low-saturation conditions. The epitaxial orientations are discussed, and evidence is presented as to the stage of deposition at which the epitaxial order for Ag is introduced. Strong substrate/overgrowth interaction manifested itself by alloying and interdiffusion.

Poppa, H.↗
NASA NTRS1974

Thermally-restorable optical degradation and the mechanism of current transport in Cu2S-CdS photovoltaic cells

The photovoltaic properties of single-crystal Cu2S-CdS heterojunctions have been investigated as a function of heat treatment by detailed measurements of the dependence of short-circuit current on photon energy, temperature, and the state of optical degradation or enhancement. A coherent picture is formulated for the relationship between enhancement and optical degradation, and their effect on the transport of short-circuit photoexcited current and dark, forward-bias current in the cell. Optical degradation in the Cu2S-CdS cell is shown to be closely identical to optical degradation of lifetime in a homogeneous CdS:Cd:Cu crystal, indicating that the CdS:Cu layer near the junction interface controls carrier transport in the cell. It is proposed that both the photoexcited short-circuit current and the dark, forward-bias current are controlled by a tunneling-recombination process through interface states.

Fahrenbruch, A. L.↗
NASA NTRS1974

Sticking probabilities for the adsorption of hydrogen on clean Ni/111/, Ni/100/, Ni sheet and evaporated Ni films

Determination of the sticking probability for hydrogen adsorption on clean Ni(111), Ni(100), polycrystalline nickel sheet, and polycrystalline evaporated nickel films, using a modification of the reflection detector technique of Horgan and King (1970) for metal films. The initial sticking probability for hydrogen adsorption on a nickel film at 300 K by the proposed method is found to be 0.25 in comparison to 0.35 for hydrogen adsorption on a nickel film using the reflection detector technique. Also, the sticking probabilities on smooth single-crystal (111) and (100) planes and polycrystalline sheets are found to be lower than those on the rougher polycrystalline nickel films.

Horgan, A. M.↗
NASA NTRS1974

The two-dimensional tunnel structures of K3Sb5O14 and K2Sb4O11

The structures of K3Sb5O14 and K2Sb4O11 have been solved by the single-crystal X-ray direct method and the heavy-atom method, respectively. The structure of K3Sb5O14 is orthorhombic, with space group Pbam and cell parameters a = 24.247 (4), b = 7.157 (2), c = 7.334 (2) A, Z = 4. The structure of K2Sb4O11 is monoclinic, with space group C2/m and cell parameters a = 19.473 (4), b = 7.542 (1), c = 7.198 (1) A, beta = 94.82 (2) deg, Z = 4. A full-matrix least-squares refinement gave R = 0.072 and R = 0.067, respectively. In both structures, oxygen atoms form an octahedron around each Sb atom and an irregular polyhedron around each K atom. By sharing corners and edges, the octahedra form a skeleton network having intersecting b-axis and c-axis tunnels. The K(+) ions, which have more than ten oxygen near neighbors, are located in these tunnels. Evidence for K(+)-ion transport within and between tunnels comes from ion exchange of the alkali ions in molten salts and anisotropic temperature factors that are anomalously large in the direction of the tunnels.

Hong, H. Y.-P.↗
NASA NTRS1974

Assessment of the technology required to develop photovoltaic power system for large scale national energy applications

A technical assessment of a program to develop photovoltaic power system technology for large-scale national energy applications was made by analyzing and judging the alternative candidate photovoltaic systems and development tasks. A program plan was constructed based on achieving the 10 year objective of a program to establish the practicability of large-scale terrestrial power installations using photovoltaic conversion arrays costing less than $0.50/peak W. Guidelines for the tasks of a 5 year program were derived from a set of 5 year objectives deduced from the 10 year objective. This report indicates the need for an early emphasis on the development of the single-crystal Si photovoltaic system for commercial utilization; a production goal of 5 x 10 to the 8th power peak W/year of $0.50 cells was projected for the year 1985. The developments of other photovoltaic conversion systems were assigned to longer range development roles. The status of the technology developments and the applicability of solar arrays in particular power installations, ranging from houses to central power plants, was scheduled to be verified in a series of demonstration projects. The budget recommended for the first 5 year phase of the program is $268.5M.

Lutwack, R.↗
NASA NTRS1975

Friction and wear of tin and tin alloys from minus 100 C to 150 C

Sliding friction experiments were conducted with an iron (110) single-crystal pin sliding on single and polycrystalline tin and tin alloys. Specimens were examined at various ambient temperatures from -100 to 150 C. Applied loads varied from 1 to 50 grams, and sliding velocity was constant at 0.7 mm/min. Results indicate that the crystal transformation of tin influences the friction coefficient. Friction was higher for the diamond structure (gray tin) than it was for the body-centered tetragonal structure (white tin). Bismuth arrested the crystal transformation, which resulted in constant friction over the temperature range -100 to 150 C. Both copper and aluminum enhanced the kinetics of transformation, with aluminum producing a nearly twofold change in friction with the crystal transformation.

Buckley, D. H.↗
NASA NTRS1974

The crystal chemistry of armalcolites from Apollo 17

Single-crystal X-ray studies of armacolites from the 2 to 5 mm fraction of Apollo 17 soils 75082 and 78502 are evaluated. The two types of armacolites studied show slight composition differences and identical structures. Precession photographs of each crystal show the two forms, ortho and para, to have the same space group and nearly the same cell dimensions. The analyses conducted support the proposition that the difference in optical properties is caused by differing MgO and Cr2O3 contents.

Smyth, J. R.↗
NASA NTRS1975

Edge-defined film-fed growth of beta-alumina and Mg-substituted beta-alumina

High Na vapor pressure, peritectic decomposition, and high reactivity of the melt complicate the growth of beta-alumina crystals. These difficulties were overcome by using a high-pressure (300 psig) growth chamber, Na2O-rich melts, and Ir for all surfaces in contact with the melt. These procedures were combined with the edge-defined film-fed growth technique to produce single-crystal beta-alumina tubes and ribbons.

Morrison, A. D.↗
NASA NTRS1975

Optical absorption components of light-modulated absorption spectrum of CdS

The amplitude and decay coefficient of light-induced modulation of absorption (LIMA) was measured as a function of wavelength from 535 to 850 nm for single-crystal CdS. The decay coefficient exhibited a discontinuous resonance at 710 nm which was due to the overlap and cancellation of two opposing absorption changes. A method was developed to separate these opposing absorption changes using the measured decay coefficients. The discrete-level-to-band energy for one absorption change was found to be 1.64 eV. An improved model was developed which contains two associated levels in the band gap separated by 0.32 eV.

Conway, E. J.↗
NASA NTRS1975

Experimental shock metamorphism of maximum microcline

A series of recovery experiments are conducted to study the behavior of single-crystal perthitic maximum microcline shock-loaded to a peak pressure of 417 kbar. Microcline is found to deform in a manner similar to quartz and other alkali feldspars. It is observed that shock-induced cleavages occur initially at or slightly below the Hugoniot elastic limit (60-85 kbar), that shock-induced rather than thermal disordering begins above the Hugoniot elastic limit, and that all types of planar elements form parallel to crystallographic planes of low Miller indices. When increasing pressure, it is found that bulk density, refractive indices, and birefringence of the recovered material decrease and approach diaplectic glass values, whereas disappearance and weakening of reflections in Debye-Sherrer patterns are due to disordering of the feldspar lattice.

Robertson, P. B.↗
NASA NTRS1975

Oxide nucleation on thin films of copper during in situ oxidation in an electron microscope

Single-crystal copper thin films were oxidized at an isothermal temperature of 425 C and at an oxygen partial pressure of 0.005 torr. Specimens were prepared by epitaxial vapor deposition onto polished faces of rocksalt and were mounted in a hot stage inside the ultrahigh-vacuum chamber of a high-resolution electron microscope. An induction period of roughly 30 min was established which was independent of the film thickness but depended strongly on the oxygen partial pressure and to exposure to oxygen prior to oxidation. Neither stacking faults nor dislocations were found to be associated with the Cu2O nucleation sites. The experimental data, including results from oxygen dissolution experiments and from repetitive oxidation-reduction-oxidation sequences, fit well into the framework of an oxidation process involving the formation of a surface charge layer, oxygen saturation of the metal with formation of a supersaturated zone near the surface, and nucleation followed by surface diffusion of oxygen and bulk diffusion of copper for lateral and vertical oxide growth, respectively.

Heinemann, K.↗
NASA NTRS1975

Infrared upconversion as a means of seeing in the dark

A new approach to seeing in the dark is described which is based on the principles of nonlinear optics employing a crystal such as lithium iodate. A nonlinear optical device capable of producing photons at higher frequencies from lower-frequency incident light is shown to upconvert infrared light directly into visible light. The major advantages of the infrared upconversion process is that it permits the infrared signal to be detected by photon-counting devices presently available for the visible spectral region, and that it can provide sensitivity to infrared radiation without the need for cryogenic cooling of the detector used. Early works on infrared upconversion are reviewed. The development of applications is discussed as to astronomical spectroscopy and infrared image upconversion involving either angular or positional resolution elements. The demonstration of infrared upconversion in rectangular waveguides of single-crystal GaAs by Anderson et al. (1971) indicates future possibilities in upconversion by the use of integrated optics devices.

Gurski, T. R.↗
NASA NTRS1975

Study of growth of single crystal ribbon in space

The technical feasibility is studied of growing single-crystal silicon ribbon in the space environment. Procedures are described for calculating the electromagnetic fields produced in a silicon ribbon by an rf shaping coil. The forces on the ribbon and the degree of shaping to be expected are determined. The expected steady-state temperature distribution in the ribbon is calculated in the one-dimensional approximation. Calculations on simplified models indicate, that lack of flatness of the shaped ribbon and excessive heating of the melt by the eddy currents induced by the shaping fields may pose problems. An analysis of the relative effects of various kinds of forces other than electromagnetic showed that in the space environment capillarity forces would dominate, and that the shape of the melt is thus principally determined by the shape of any solids with which it comes in contact. This suggests that ribbon may be produced simply by drawing between parallel wires. A concept is developed for a process of off-angle growth, in which the ribbon is pulled at an angle to the solidification front. Such a process promises to offer increased growth rate, better homogeneity, and thinner ribbon.

Wood, V. E.↗
NASA NTRS1975

Aluminum under high pressure. I - Equation of state

A curve of applied pressure versus lattice constant is calculated for single-crystal aluminum. It results from an application of the method of structural expansions for deriving the energies of simple metals, a method known to give reasonable results for the elastic constants even at second order in the effective electron-ion interaction. The latter is taken from Fermi-surface analysis, and it is verified that the extant face-centered cubic structure remains the preferred crystalline phase up to the highest pressures considered. Arguments are given to suggest that the curve should have reasonable a priori accuracy and can admit possible improvement if experimental data in the intermediate-pressure region can be provided to refine the (in principle) energy-dependent pseudopotential. At three megabars, the lattice constant is reduced by only 22 per cent; the ion cores at this pressure are still very well separated.

Friedli, C.↗
DOE OSTI2026

Oxide-nitride heteroepitaxy for low-loss dielectrics in superconducting quantum circuits

Superconducting qubits show great promise for the realization of fault-tolerant quantum computing, but lossy, amorphous dielectrics limit current technology. Identifying highly crystalline and stoichiometric dielectrics with intrinsically low microwave loss is therefore a central materials challenge, yet experimentally validated platforms remain scarce. In this work, we integrate a crystalline dielectric into a heteroepitaxial TiN/$γ$-Al$_2$O$_3$/TiN trilayer grown via pulsed laser deposition. Correlative high-resolution imaging, diffraction, and spectroscopy measurements confirm the single-crystal quality and chemical integrity of all layers, with minimal defects and limited anion interdiffusion across the oxide-nitride interfaces. Using microwave lumped-element resonators with parallel-plate capacitors, we report the first direct measurement of the dielectric loss of epitaxial $γ$-Al$_2$O$_3$, for which we find a low intrinsic two-level system loss, $δ_{\text{TLS}}^0 = (2.8 \pm 0.1) \times 10^{-5}$. These results establish heteroepitaxial oxides on transition metal nitrides as an attractive materials platform for superconducting quantum circuits, particularly for integration into compact device architectures such as merged-element transmons and microwave kinetic inductance detectors.

Garcia-Wetten, David A. [Northwestern U.]↗
DOE OSTI2026

Thermoelectric Behavior of Structurally Disordered Lanthanide and Actinide Silicides

Lanthanide and actinide intermetallic materials exhibit intriguing electronic, structural, and magnetic properties arising from their partially filled f orbitals. Strong f-electron correlations can significantly modify the electronic density of states, carrier scattering, and transport behavior, making these systems promising candidates for unconventional thermoelectric materials. In previous studies, single crystals of A1.33T4Al8Si2 (A = Ce, Th, U, Np; T = Co, Ni) were synthesized. This structure consists of ordered TAl2 corrugated double layers separated by disordered An–Si monolayers. The inherent disorder within the An–Si layers has been linked to unusual magnetic behavior, such as spin-glass phenomena, and is expected to strongly influence phonon scattering and charge-carrier transport relevant to thermoelectric performance. However, the thermoelectric properties of this material family have not previously been explored. In this work, DFT calculations were performed to evaluate the electronic density of states, band structures, and thermoelectric properties, including the effects of doping. To validate these predictions, Ce1.33Co4Al8Si2 single crystals were grown and experimentally characterized. Additionally, a new Yb1.33Co4Al8Si2 phase was synthesized and characterized using single-crystal XRD, SEM-EDS, magnetization measurements, and thermoelectric measurements. These results provide insight into structure–property relationships governing thermoelectric behavior in f-electron intermetallics and offer guidance for future thermoelectric materials.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2025

Flux Upcycling of Degraded Layered Cathodes to LiNi x Mn y Co z O 2 (NMCs) with Gradient Transition Metal Distribution

The rising demand for lithium-ion batteries (LIBs) has intensified the need for efficient recycling methods to address both supply chain constraints and environmental impacts. Direct upcycling, distinguished by its ability to achieve both the structural and compositional integrity of cathode materials, has gained prominence as a sustainable alternative to conventional pyrometallurgical and hydrometallurgical processes. However, the current direct upcycling methods are typically limited by incorporating Li and/or Ni, significantly constraining the adaptability across diverse LiNi x Mn y Co z O 2 (NMCs). Here, in this study, a versatile molten salt approach is reported that expands the scope of direct upcycling by enabling simultaneous incorporation of Li, Ni, and Mn. This methodology facilitates flexible conversion among diverse NMC compositions, including non-stoichiometric Co/Mn systems such as upcycling degraded LiCoO 2 (D-LCO), LiNi 1/3 Mn 1/3 Co 1/3 O 2 (D-NMC111), LiNi 0.8 Mn 0.1 Co 0.1 O 2 (D-NMC811) to surface Mn enriched NMC111, LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532), and NMC811, respectively. The gradient transition metal distribution in upcycled products, characterized by Mn-enriched outer layers and Co/Ni-enriched cores enhances the interfacial stability of NMC cathodes, addressing critical challenges in long-term performance and structural integrity. These results highlight the potential of flux methods for advancing the upcycling of spent cathodes and producing high-performance materials for next-generation LIBs applications.

lithium -ion batteries↗