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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Effects of indirect bandgap top cells in a monolithic cascade cell structure

The effect of having a slightly indirect top cell in a three junction cascade monolithic stack is calculated. The minority carrier continuity equations are utilized to calculate individual junction performance. Absorption coefficient curves for general III-V compounds are calculated for a variety of direct and indirect gap materials. The results indicate that for a small excursion into the indirect region, (about 0.1 eV), the loss of efficiency is acceptably small (less than 2.5 percent) and considerably less than attempting to make the top junction a smaller direct bandgap.

Curtis, H. B.↗
DOE OSTI2015

Development of micro-four-point probe in a scanning tunneling microscope for in situ electrical transport measurement

Electrons at surface may behave differently from those in bulk of a material. Multi-functional tools are essential in comprehensive studies on a crystal surface. Here, we developed an in situ microscopic four-point probe (4PP) transport measurement system on the basis of a scanning tunneling microscope (STM). In particular, convenient replacement between STM tips and micro-4PPs enables systematic investigations of surface morphology, electronic structure, and electrical transport property of a same sample surface. Performances of the instrument are demonstrated with high-quality STM images, tunneling spectra, and low-noise electrical I-V characteristic curves of a single-layer FeSe film grown on a conductive SrTiO{sub 3} surface.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Predissociation dynamics of lithium iodide

The predissociation dynamics of lithium iodide (LiI) in the first excited A-state is investigated for molecules in the gas phase and embedded in helium nanodroplets, using femtosecond pump-probe photoionization spectroscopy. In the gas phase, the transient Li{sup +} and LiI{sup +} ion signals feature damped oscillations due to the excitation and decay of a vibrational wave packet. Based on high-level ab initio calculations of the electronic structure of LiI and simulations of the wave packet dynamics, the exponential signal decay is found to result from predissociation predominantly at the lowest avoided X-A potential curve crossing, for which we infer a coupling constant V{sub XA} = 650(20) cm{sup −1}. The lack of a pump-probe delay dependence for the case of LiI embedded in helium nanodroplets indicates fast droplet-induced relaxation of the vibrational excitation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

The effect of annealing on optical transmittance and structure of ZLANI fluorozirconate glass thin films

In this work, we report the effect of thermal annealing on structure, composition, optical transmittance and thickness of a novel fluorozirconate glass (ZLANI) containing Zr, La, Al, Na and In fluorides. In this work, pulsed laser depo- sition was used to grow thin films of ZLANI, and thermal annealing at different temperatures was performed on the films. Annealing did not change the composition, but a clear structural evolution of the ZLANI glass was observed by transmission electron microscopy (TEM), showing that we can control microstructure independent of composition. An increase in transmittance after the film was subject to a 100 °C thermal anneal was ascribed to the removal of defects and structural relaxation in the amorphous state. Following an anneal of 200 °C, the transmittance decreases due to heterogeneous formation of crystalline nuclei and changes in the local bonding. After the final annealing at 300 °C, a wider-scale crystallization occurred, with some major crystal phases formed as Zr 2 F 8 (H 2 O) 6 and ZrO 2 , which alters the shape of the transmittance curve. The crystalline content of the crystal phases that form in the annealed films was quantified using hollow cone dark field TEM imaging. The 100 °C or 200 °C annealing decreases the film thickness by inducing structural relaxation and densification of the amorphous films, while the thickness increase of the 300 °C annealed film resulted from the formed large crystals. These results provide insights for the design of multilayer nanocomposites with a ZLANI glass matrix, which have potential applications as up-/down-conversion luminescent materials and X-ray storage phosphors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A medium-energy photoemission and ab-initio investigation of cubic yttria-stabilised zirconia

Experimental and theoretical investigations into the electronic properties and structure of cubic yttria-stabilized zirconia are presented. Medium-energy x-ray photoemission spectroscopy measurements have been carried out for material with a concentration of 8-9 mol. % yttria. Resonant photoemission spectra are obtained for a range of photon energies that traverse the L2 absorption edge for both zirconium and yttrium. Through correlation with results from density-functional theory (DFT) calculations, based on structural models proposed in the literature, we assign photoemission peaks appearing in the spectra to core lines and Auger transitions. An analysis of the core level features enables the identification of shifts in the core level energies due to different local chemical environments of the constituent atoms. In general, each core line feature can be decomposed into three contributions, with associated energy shifts. Their identification with results of DFT calculations carried out for proposed atomic structures, lends support to these structural models. The experimental results indicate a multi-atom resonant photoemission effect between nearest-neighbour oxygen and yttrium atoms. Near-edge x-ray absorption fine structure spectra for zirconium and yttrium are also presented, which correlate well with calculated Zr- and Y-4d electron partial density-of-states and with Auger electron peak area versus photon energy curve.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Non-vanishing superpotentials in heterotic string theory and discrete torsion

Here, we study the non-perturbative superpotential in E8 E8 heterotic string theory on a non-simply connected Calabi-Yau manifold X, as well as on its simply connected covering space ~X . The superpotential is induced by the string wrapping holomorphic, isolated, genus 0 curves. According to the residue theorem of Beasley and Witten, the non-perturbative superpotential must vanish in a large class of heterotic vacua because the contributions from curves in the same homology class cancel each other. We point out, however, that in certain cases the curves treated in the residue theorem as lying in the same homology class, can actually have different area with respect to the physical Kahler form and can be in different homology classes. In these cases, the residue theorem is not directly applicable and the structure of the superpotential is more subtle. We also show, in a specific example, that the superpotential is non-zero both on ~X and on X. On the non-simply connected manifold X, we explicitly compute the leading contribution to the superpotential from all holomorphic, isolated, genus 0 curves with minimal area. Furthermore, the reason for the non-vanishing of the superpotental on X is that the second homology class contains a finite part called discrete torsion. As a result, the curves with the same area are distributed among different torsion classes and, hence, do not cancel each other

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1986

Alternate high capacity heat pipe

The performance predictions for a fifty foot heat pipe (4 foot evaporator - 46 foot condensor) are discussed. These performance predictions are supported by experimental data for a four foot heat pipe. Both heat pipes have evaporators with axial groove wick structures and condensers with powder metal external artery wick structures. The predicted performance of a rectangular axial groove/external artery heat pipe operating in space is given. Heat transport versus groove width is plotted for 100, 200 and 300 grooves in the evaporator. The curves show that maximum power is achieved for groove widths from 0.040 to 0.053 as the number of grooves varies from 300 to 100. The corresponding range of maximum power is 3150 to 2400 watts. The relationships between groove width and heat pipe evaporate diameter for 100, 200 and 300 grooves in the evaporator are given. A four foot heat pipe having a three foot condenser and one foot evaporator was built and tested. The evaporator wick structure used axial grooves with rectangular cross sections, and the condenser wick structure used powder metal with an external artery configuration. Fabrication drawings are enclosed. The predicted and measured performance for this heat pipe is shown. The agreement between predicted and measured performance is good and therefore substantiates the predicted performance for a fifty foot heat pipe.

Voss, F. E.↗
DOE OSTI2026

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1983

First observations of stellar coronal structure - The coronae of AR Lacertae

In connection with the present investigation, X-ray, radio, and ultraviolet observations of AR Lacertae over one orbital cycle have been obtained. The X-ray light curve shows a deep primary minimum and a broad, shallow secondary minimum. The quiescent corona of the G2 IV component is small and asymmetric. This corona extends some 0.02 stellar radii above the photosphere; the leading, spotted hemisphere is brighter in X-rays than the trailing hemisphere. The K0 IV component has two coronal components. The extended, presumably hotter component extends to one stellar radius above the photosphere and exhibits a brighter leading hemisphere. There is an inner coronal component which is small relative to the stellar radius, but the lack of coverage past mid-eclipse severely limits the possibility to deduce the nature of this component. The UV observations also imply a nonuniform surface distribution of plage regions.

Walter, F. M.↗
NASA NTRS1992

The polar cap structure of the X-ray pulsar 4U 1538 - 52

We compare the pulse-phase-dependent spectral observations of 4U 1538 - 52 obtained from Ginga to a series of static model atmospheres of curved accreting polar caps, utilizing a magnetized radiative transfer code with relativistic polarized cross sections. A chi-squared fit was performed on the symmetrized pulse shapes, allowing the parameters of the two polar caps to vary independently. We find evidence for a significant difference between the caps, both in terms of opening angle and temperature, while the optical depth is similar and compatible with radiative deceleration models. The polar caps appear larger than what is usually estimated from dipole fields, and are not located at the antipodes of each other. A broader distribution of magnetic fields is required than expected from a dipolar field at constant radius. If the magnetic field is indeed dipolar, it should be off-center in respect to the star and the accretion shock height exhibits an unusual dependence on the polar angle. An alternative possibility is that the magnetic field is disordered on scales small compared to the polar cap radius.

Bulik, T.↗
DOE OSTI2016

Array-based, parallel hierarchical mesh refinement algorithms for unstructured meshes

In this paper, we describe an array-based hierarchical mesh refinement capability through uniform refinement of unstructured meshes for efficient solution of PDE's using finite element methods and multigrid solvers. A multi-degree, multi-dimensional and multi-level framework is designed to generate the nested hierarchies from an initial coarse mesh that can be used for a variety of purposes such as in multigrid solvers/preconditioners, to do solution convergence and verification studies and to improve overall parallel efficiency by decreasing I/O bandwidth requirements (by loading smaller meshes and in memory refinement). We also describe a high-order boundary reconstruction capability that can be used to project the new points after refinement using high-order approximations instead of linear projection in order to minimize and provide more control on geometrical errors introduced by curved boundaries.The capability is developed under the parallel unstructured mesh framework "Mesh Oriented dAtaBase" (MOAB Tautges et al. (2004)). We describe the underlying data structures and algorithms to generate such hierarchies in parallel and present numerical results for computational efficiency and effect on mesh quality. Furthermore, we also present results to demonstrate the applicability of the developed capability to study convergence properties of different point projection schemes for various mesh hierarchies and to a multigrid finite-element solver for elliptic problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Bio-inspired bistable piezoelectric energy harvester for powering animal telemetry tags: Conceptual design and preliminary experimental validation

Here, this paper presents the conceptual design, preliminary experimental validation, and performance evaluation of a novel bio-inspired bi-stable piezoelectric energy harvester for self-powered animal telemetry tags. The overall conceptual design, which includes a bio-inspired attachment and a bi-stable piezoelectric energy harvester, is introduced firstly with a specific application example of marine fish tracking. The self-powered telemetry tag can be externally deployed on fish (dorsal fin) to monitor fish habitats, population, and underwater environment. Inspired by the Venus flytrap's rapid shape transition, a bi-stable piezoelectric energy harvester is developed to scavenge energy from fish maneuvering and the surrounding fluid flow for a sustainable power supply. The bistability of the harvester is characterized by the measured force-displacement curve and double potential wells. A bluff body is integrated to the free end of the bistable piezoelectric energy harvester to enhance the structure-fluid interaction for the large-amplitude snap-through vibrations and higher voltage output. Controlled laboratory experiments are conducted in a water tank on the bio-inspired bi-stable piezoelectric energy harvester using a servo motor system to simulate fish swing motion at various conditions to evaluate the power generation performance. The preliminary underwater experimental results demonstrated that the proposed bio-inspired bi-stable piezoelectric energy harvester could effectively convert fish swing motions into electricity. The device collected 17.25 mJ of energy over 130 s under a peak-to-peak swing angle of 30° at 1.5 Hz in the capacitor charging experiments.

Animal tracking↗
DOE OSTI2026

In Situ UV–vis Quantification of Chlorobasicity in Binary Molten Chlorides

Optical basicity measurements provide a basis for determining the relative chlorobasicity of a given molten salt composition. This study uses Bi3+ as a spectroscopic probe to investigate optical basicity across three binary molten chloride systems (LiCl-KCl, MgCl2–KCl, and ZnCl2–KCl) through in situ UV–vis spectroscopy measurements of the 1S0→3P1 transition. LiCl-KCl systems exhibit the highest optical basicity with minimal compositional dependence, while both divalent systems show stronger, yet nonlinear, dependence that is reminiscent of acid–base titration curves. The influence of cation electronegativity and polarizing power (Li+ < Mg2+ < Zn2+) directly reflects the basicity curves, with ZnCl2–KCl displaying the steepest gradients and lowest basicity values. Nonlinear dependencies in divalent systems indicate formation of chloride-bridged network structures with coordination states dictated by the amount of KCl in a salt composition, which was further investigated and validated by molecular dynamics simulations of polymeric structures formed in ZnCl2 and MgCl2-based salts using machine learning force fields. The temperature dependence of chlorobasicity in terms of optical basicity was investigated, and a loose, positive correlation between the two was revealed. These findings establish Bi3+ as a sensitive probe for understanding electronic environments in molten chloride systems and provide insights for predicting the chemical behavior of molten salts for use in high-temperature environments.

Buttice, Kailee [Department of Nuclear Engineering↗
DOE OSTI2015

A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium

Here, we compare six lithium potentials by examining their ability to predict coexistence properties and liquid structure using molecular dynamics. All potentials are of the embedded-atom-method (EAM) type. The coexistence properties we focus on are the melting curve, vapor pressure, saturated liquid density, and vapor-liquid surface tension. For each property studied, the simulation results are compared to available experimental data in order to properly assess the accuracy of each potential. We find that the Cui 2NN MEAM is the most robust potential, giving adequate agreement with most of the properties examined. For example, the zero-pressure melting point of this potential is shown to be around 443 K, while experimentally is it about 454 K. This potential also gives excellent agreement with saturated liquid densities, even though no liquid properties were used in the fitting procedure. Our study allows us to conclude that the Cui 2NN MEAM should be used for further simulations of lithiums.

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

High power surface emitting terahertz laser with hybrid second- and fourth-order Bragg gratings

A surface-emitting distributed feedback (DFB) laser with second-order gratings typically excites an antisymmetric mode that has low radiative efficiency and a double-lobed far-field beam. The radiative efficiency could be increased by using curved and chirped gratings for infrared diode lasers, plasmon-assisted mode selection for mid-infrared quantum cascade lasers (QCLs), and graded photonic structures for terahertz QCLs. Here, we demonstrate a new hybrid grating scheme that uses a superposition of second and fourth-order Bragg gratings that excite a symmetric mode with much greater radiative efficiency. The scheme is implemented for terahertz QCLs with metallic waveguides. Peak power output of 170 mW with a slope-efficiency of 993 mW A -1 is detected with robust single-mode single-lobed emission for a 3.4 THz QCL operating at 62 K. Finally, the hybrid grating scheme is arguably simpler to implement than aforementioned DFB schemes and could be used to increase power output for surface-emitting DFB lasers at any wavelength.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Publisher Correction: High power surface emitting terahertz laser with hybrid second- and fourth-order Bragg gratings

A surface-emitting distributed feedback (DFB) laser with second-order gratings typically excites an antisymmetric mode that has low radiative efficiency and a double-lobed far-field beam. The radiative efficiency could be increased by using curved and chirped gratings for infrared diode lasers, plasmon-assisted mode selection for mid-infrared quantum cascade lasers (QCLs), and graded photonic structures for terahertz QCLs. Here, we demonstrate a new hybrid grating scheme that uses a superposition of second and fourth-order Bragg gratings that excite a symmetric mode with much greater radiative efficiency. The scheme is implemented for terahertz QCLs with metallic waveguides. Peak power output of 70 mW with a slope-efficiency of 993 mW A -1 is detected with robust single-mode single-lobed emission for a 3.4 THz QCL operating at 62 K. The hybrid grating scheme is arguably simpler to implement than aforementioned DFB schemes and could be used to increase power output for surface-emitting DFB lasers at any wavelength.

Jin, Yuan↗
DOE OSTI2019

A charge optimized many-body potential for iron/iron-fluoride systems

Here, a classical interatomic potential for iron/iron-fluoride systems is developed in the framework of the charge optimized many-body (COMB) potential. This interatomic potential takes into consideration the effects of charge transfer and many-body interactions depending on the chemical environment. The potential is fitted to a training set composed of both experimental and ab initio results of the cohesive energies of several Fe and FeF 2 crystal phases, the two fluorine molecules F 2 and the F 2 –1 dissociation energy curve, the Fe and FeF 2 lattice parameters of the ground state crystalline phase, and the elastic constants of the body centered cubic Fe structure. The potential is tested in an NVT ensemble for different initial structural configurations as the crystal ground state phases, F 2 molecules, iron clusters, and iron nanospheres. In particular, we model the FeF 2 /Fe bilayer and multilayer interfaces, as well as a system of square FeF 2 nanowires immersed in an iron solid. It has been shown that there exists a reordering of the atomic positions for F and Fe atoms at the interface zone; this rearrangement leads to an increase in the charge transfer among the atoms that make the interface and put forward a possible mechanism of the exchange bias origin based on asymmetric electric charge transfer in the different spin channels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗