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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Computational Materials Program for Alloy Design

The research program sponsored by this grant, "Computational Materials Program for Alloy Design", covers a period of time of enormous change in the emerging field of computational materials science. The computational materials program started with the development of the BFS method for alloys, a quantum approximate method for atomistic analysis of alloys specifically tailored to effectively deal with the current challenges in the area of atomistic modeling and to support modern experimental programs. During the grant period, the program benefited from steady growth which, as detailed below, far exceeds its original set of goals and objectives. Not surprisingly, by the end of this grant, the methodology and the computational materials program became an established force in the materials communitiy, with substantial impact in several areas. Major achievements during the duration of the grant include the completion of a Level 1 Milestone for the HITEMP program at NASA Glenn, consisting of the planning, development and organization of an international conference held at the Ohio Aerospace Institute in August of 2002, finalizing a period of rapid insertion of the methodology in the research community worlwide. The conference, attended by citizens of 17 countries representing various fields of the research community, resulted in a special issue of the leading journal in the area of applied surface science. Another element of the Level 1 Milestone was the presentation of the first version of the Alloy Design Workbench software package, currently known as "adwTools". This software package constitutes the first PC-based piece of software for atomistic simulations for both solid alloys and surfaces in the market.Dissemination of results and insertion in the materials community worldwide was a primary focus during this period. As a result, the P.I. was responsible for presenting 37 contributed talks, 19 invited talks, and publishing 71 articles in peer-reviewed journals, as detailed later in this Report.

Bozzolo, Guillermo↗
NASA NTRS2005

Tracking Electromagnetic Energy With SQUIDs

A superconducting quantum interference device (SQUID) is a gadget used to measure extremely weak signals, specifically magnetic flux. It can detect subtle changes in energy, up to 100 billion times weaker than the electromagnetic energy required to move a compass needle. SQUIDs are used for a variety of testing procedures where extreme sensitivity is required and where the test instrument need not come into direct contact with the test subject. NASA uses SQUIDs for remote, noncontact sensing in a variety of venues, including monitoring the Earth s magnetic field and tracking brain activity of pilots. Scientists at NASA s Goddard Space Flight Center have been making extensive use of this technology, from astrophysical research, to tracking the navigational paths of bees in flight to determine if they are using internal compasses. These very sensitive measurement devices have a wide variety of uses within NASA and even more uses within the commercial realm.

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NASA NTRS2008

NASA Tech Briefs, February 2008

Topics discussed include: Optical Measurement of Mass Flow of a Two-Phase Fluid; Selectable-Tip Corrosion-Testing Electrochemical Cell; Piezoelectric Bolt Breakers and Bolt Fatigue Testers; Improved Measurement of B(sub 22) of Macromolecules in a Flow Cell; Measurements by a Vector Network Analyzer at 325 to 508 GHz; Using Light to Treat Mucositis and Help Wounds Heal; Increasing Discharge Capacities of Li-(CF)(sub n) Cells; Dot-in-Well Quantum-Dot Infrared Photodetectors; Integrated Microbatteries for Implantable Medical Devices; Oxidation Behavior of Carbon Fiber-Reinforced Composites; GIDEP Batching Tool; Generic Spacecraft Model for Real-Time Simulation; Parallel-Processing Software for Creating Mosaic Images; Software for Verifying Image-Correlation Tie Points; Flexcam Image Capture Viewing and Spot Tracking; Low-Pt-Content Anode Catalyst for Direct Methanol Fuel Cells; Graphite/Cyanate Ester Face Sheets for Adaptive Optics; Atomized BaF2-CaF7 for Better-Flowing Plasma-Spray Feedstock; Nanophase Nickel-Zirconium Alloys for Fuel Cells; Vacuum Packaging of MEMS With Multiple Internal Seal Rings; Compact Two-Dimensional Spectrometer Optics; and Fault-Tolerant Coding for State Machines.

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NASA NTRS1980

Implications of cyclotron features in the X-ray spectrum of Hercules X-1

The modification of physical processes due to an intense magnetic field is investigated in order to uncover implications for X-ray spectra from binary pulsars. It is found that for large enough fields, the quantum nature of electron orbits must be taken into account, and for densities typical of binary X-ray pulsars it is found that electrons spend most of their time in the ground state. For this case, the production of cyclotron line photons following collisional excitation is estimated and the effects of the transfer of line photons through the hot plasma are considered. A line feature as narrow as reported by Truemper et al. appears unlikely. However, more recent observations allow a much broader line; in addition, a consistent absorption feature due to knock-on electrons may explain the spectral steepening at about 20 keV.

Bussard, R. W.↗
NASA NTRS2000

Computational Nanotechnology of Materials, Devices, and Machines: Carbon Nanotubes

The mechanics and chemistry of carbon nanotubes have relevance for their numerous electronic applications. Mechanical deformations such as bending and twisting affect the nanotube's conductive properties, and at the same time they possess high strength and elasticity. Two principal techniques were utilized including the analysis of large scale classical molecular dynamics on a shared memory architecture machine and a quantum molecular dynamics methodology. In carbon based electronics, nanotubes are used as molecular wires with topological defects which are mediated through various means. Nanotubes can be connected to form junctions.

Srivastava, Deepak↗
NASA NTRS1998

Bandgap Shifting of an Ultra-Thin InGaAs/InP Quantum Well Infrared Photodetector

We demonstrate that SiO(sub 2) cap annealing in the ultra-thin p-type InGaAs/InP quantum wells can be used to produce large blue shifts of the band edge. A substantial bandgap blue shift, as much a 292.5 meV at 900 degrees C have been measured and the value of the bandgap shift can be controlled by the anneal time.

Bandgap shifting photodetector quantum well infrar↗
NASA NTRS1993

Finite element analysis of time-independent superconductivity

The development of electromagnetic (EM) finite elements based upon a generalized four-potential variational principle is presented. The use of the four-potential variational principle allows for downstream coupling of EM fields with the thermal, mechanical, and quantum effects exhibited by superconducting materials. The use of variational methods to model an EM system allows for a greater range of applications than just the superconducting problem. The four-potential variational principle can be used to solve a broader range of EM problems than any of the currently available formulations. It also reduces the number of independent variables from six to four while easily dealing with conductor/insulator interfaces. This methodology was applied to a range of EM field problems. Results from all these problems predict EM quantities exceptionally well and are consistent with the expected physical behavior.

Schuler, James J.↗
NASA NTRS2017

The Quantum Approximation Optimization Algorithm for MaxCut: A Fermionic View

Farhi et al. recently proposed a class of quantum algorithms, the Quantum Approximate Optimization Algorithm (QAOA), for approximately solving combinatorial optimization problems. A level-p QAOA circuit consists of steps in which a classical Hamiltonian, derived from the cost function, is applied followed by a mixing Hamiltonian. The 2p times for which these two Hamiltonians are applied are the parameters of the algorithm. As p increases, however, the parameter search space grows quickly. The success of the QAOA approach will depend, in part, on finding effective parameter-setting strategies. Here, we analytically and numerically study parameter setting for QAOA applied to MAXCUT. For level-1 QAOA, we derive an analytical expression for a general graph. In principle, expressions for higher p could be derived, but the number of terms quickly becomes prohibitive. For a special case of MAXCUT, the Ring of Disagrees, or the 1D antiferromagnetic ring, we provide an analysis for arbitrarily high level. Using a Fermionic representation, the evolution of the system under QAOA translates into quantum optimal control of an ensemble of independent spins. This treatment enables us to obtain analytical expressions for the performance of QAOA for any p. It also greatly simplifies numerical search for the optimal values of the parameters. By exploring symmetries, we identify a lower-dimensional sub-manifold of interest; the search effort can be accordingly reduced. This analysis also explains an observed symmetry in the optimal parameter values. Further, we numerically investigate the parameter landscape and show that it is a simple one in the sense of having no local optima.

quantum algorithm↗
NASA NTRS1977

Time delay and integration array (TDI) using charge transfer device technology. Phase 2, volume 1: Technical

The 20x9 TDI array was developed to meet the LANDSAT Thematic Mapper Requirements. This array is based upon a self-aligned, transparent gate, buried channel process. The process features: (1) buried channel, four phase, overlapping gate CCD's for high transfer efficiency without fat zero; (2) self-aligned transistors to minimize clock feedthrough and parasitic capacitance; and (3) transparent tin oxide electrode for high quantum efficiency with front surface irradiation. The requirements placed on the array and the performance achieved are summarized. This data is the result of flat field measurements only, no imaging or dynamic target measurements were made during this program. Measurements were performed with two different test stands. The bench test equipment fabricated for this program operated at the 8 micro sec line time and employed simple sampling of the gated MOSFET output video signal. The second stand employed Correlated Doubled Sampling (CDS) and operated at 79.2 micro sec line time.

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NASA NTRS1969

Rotational relaxation in parahydrogen and its mixtures with helium, neon, and argon at 300 deg K.

Ultrasonic‐velocity dispersion measurements have been performed in parahydrogen and its mixtures with helium, neon, and argon, all at 300°K. In each case the experimental dispersion curves can be matched successfully to those calculated under the assumption that the 0–2 rotational transition relaxes separately from the 2–4 and higher‐order terms. For pure pH 2 we find a relaxation time 𝜏 20 of 1.30 × 10 −8 sec for the 2 → 0 transition and a 𝜏 42 of 3.90 × 10 −8 sec for the 4 → 2 transition. Comparison with the quantum‐mechanical theories of Roberts and of Davison for H 2 –H 2 collisions using Morse potentials shows good agreement for 𝜏 20 over the temperature range of 75°–300°K. The Morse‐potential asymmetry parameter yielding the best fit is β = 0.113 for Roberts' calculation and 0.108 for Davison's. It is found that He–pH 2 collisions are more effective than pH 2 –pH 2 in producing the J = 0 to J = 2 transition, but less effective for higher‐order transitions. Collisions of neon with pH 2 are found to be more effective at room temperature for inducing the 0 → 2 and 2 → 4 transitions than either helium or argon.

Leonard M Valley↗
NASA NTRS1975

Quantum efficiency of a channel electron multiplier in the far ultraviolet

Variation of the quantum efficiency of a channel electron multiplier (CEM) in the wavelength range from 1200 to 2536 A is studied. Emphasis is on measurement of CEM sensitivity longward of 1500 A. Results indicate an overall rapid decrease in quantum efficiency with increasing wavelength, with little evidence for a possible change in slope in the range from 2000 to 2500 A. The lowest efficiency measured is 4.5 + or -2.5 times 10 to the minus ninth count/photon at 2536 A. These efficiencies should ensure that unwanted radiation longward of 1500 A can be effectively removed from the bandpass of the instrument.

Paresce, F.↗
NASA NTRS1985

New quantum oscillations in current driven small junctions

The response of current-biased Josephson and normal tunnel junctions (JJs and NTJs) such as those fabricated by Voss and Webb (1981) is predicted from a quantum-mechanical description based on the observation that the response of a current-driven open system is equivalent to that of a closed system subject to an external time-dependent voltage bias. Phenomena expected include voltage oscillations with no dc voltage applied, inverse Shapiro steps of dc voltage in the presence of microwave radiation, voltage oscillation in a JJ and an NTJ coupled by a capacitance to a current-biased junction, JJ voltage oscillation frequency = I/e rather than I/2e, and different NTJ resistance than in the voltage-driven case. The effects require approximate experimental parameter values Ic = 15 nA, C = 1 fF, and T much less than 0.4 K for JJs and Ic = a few nA, C = 1 fF, and R = 3 kiloohms for 100-microV inverse Shapiro steps at 10 GHz in NTJs.

Ben-Jacob, E.↗
NASA NTRS2001

Carbon Nanotubes in Water: MD Simulations of Internal and External Flow, Self Organization

We have developed computational tools, based on particle codes, for molecular dynamics (MD) simulation of carbon nanotubes (CNT) in aqueous environments. The interaction of CNTs with water is envisioned as a prototype for the design of engineering nano-devices, such as artificial sterocillia and molecular biosensors. Large scale simulations involving thousands of water molecules are possible due to our efficient parallel MD code that takes long range electrostatic interactions into account. Since CNTs can be considered as rolled up sheets of graphite, we expect the CNT-water interaction to be similar to the interaction of graphite with water. However, there are fundamental differences between considering graphite and CNTs, since the curvature of CNTs affects their chemical activity and also since capillary effects play an important role for both dynamic and static behaviour of materials inside CNTs. In recent studies Gordillo and Marti described the hydrogen bond structure as well as time dependent properties of water confined in CNTs. We are presenting results from the development of force fields describing the interaction of CNTs and water based on ab-initio quantum mechanical calculations. Furthermore, our results include both water flows external to CNTs and the behaviour of water nanodroplets inside heated CNTs. In the first case (external flows) the hydrophobic behaviour of CNTs is quantified and we analyze structural properties of water in the vicinity of CNTs with diagnostics such as hydrogen bond distribution, water dipole orientation and radial distribution functions. The presence of water leads to attractive forces between CNTs as a result of their hydrophobicity. Through extensive simulations we quantify these attractive forces in terms of the number and separation of the CNT. Results of our simulations involving arrays of CNTs indicate that these exhibit a hydrophobic behaviour that leads to self-organising structures capable of trapping water clusters. In the second case (internal flows) we study the behaviour of water droplets confined inside CNTs. Constant temperature simulations allow us to capture structural properties such as the contact angles and density profiles of the equilibrated drops. By heating and subsequently cooling of the CNT, we are able to measure the evaporation and the condensation rate of the entrapped water.

Jaffe, Richard L.↗
NASA NTRS2021

Probing the Origin of the Open Circuit Voltage in Perovskite Quantum Dot Photovoltaics

Perovskite quantum dots (PQDs) have many properties that make them attractive for optoelectronic applications, including expanded compositional tunability and crystallographic stabilization. While they have not achieved the same photovoltaic (PV) efficiencies of top-performing perovskite thin films, they do reproducibly show high open circuit voltage (VOC) in comparison. Further understanding of the VOC attainable in PQDs as a function of surface passivation, contact layers, and PQD composition will further progress the field and may lend useful lessons for non-QD perovskite solar cells. Here, we use photoluminescence-based spectroscopic techniques to understand and identify the governing physics of the VOC in CsPbI3 PQDs. In particular, we probe the effect of the ligand exchange and contact interfaces on the VOC and free charge carrier concentration. The free charge carrier concentration is orders of magnitude higher than in typical perovskite thin films and could be tunable through ligand chemistry. Tuning the PQD A-site cation composition via replacement of Cs+ with FA+ maintains the background carrier concentration but reduces the trap density by up to a factor of 40, reducing the VOC deficit. These results dictate how to improve PQD optoelectronic properties and PV device performance and explain the reduced interfacial recombination observed by coupling PQDs with thin-film perovskites for a hybrid absorber layer.

perovskite quantum dot↗
NASA NTRS2017

Parallels in Communication and Navigation Technology and Natural Phenomenon

The premise is more than art imitates life, or technology imitates nature it is a nascent step to see how we might be unwittingly inspired and influenced. An example that might immediately come to mind is a starling murmuration (a phenomenon called scale-free correlation) and Intels recent Coachella music festival drone performance. Superconductivity is a macroscopic manifestation of a quantum phenomenon - choreographed electrons (i.e. an electron murmuration) that enable astonishing devices. There is indeed an intimate connectedness between biology and electromagnetism. Our brains are complex neural circuits generating magnetic fields with a magnitude around 100 femtoTesla (roughly one billion times weaker than a typical magnet used to tack notes to a refrigerator door). Migratory birds navigate by orienteering with respect to the Earth's magnetic field. Electromagnetic field therapy is used in orthopedics to aid in bone repair. The electric eel generates a large electric field for self-defense. Sharks apparently detect extremely weak electric fields for finding prey. And so on. There are similarities between the way a field of wheat responds to a breeze and the natural restoring forces of a semiconductor crystal. And waves in a slowly moving river can lap backwards against a peninsular shoreline mimicking a diffraction effect. Getting back to the introductory sentence and mysterious links over cosmic distances, in August 2016, China launched the Quantum Experiments at Space Scale (QUESS) satellite. The technology is based on a non-linear crystal that produces pairs of entangled photons whose attributes apparently remain entwined regardless of how far apart they are separated. This paper will, no doubt superficially, attempt to enumerate and examine these types of connections and parallelisms.

Romanofsky, Robert↗
NASA NTRS1982

Charge-coupled device (CCD) television camera for NASA's Galileo mission to Jupiter

The CCD detector under construction for use in the slow-scan television camera for the NASA Galileo Jupiter orbiter to be launched in 1985 is presented. The science objectives and the design constraints imposed by the earth telemetry link, platform residual motion, and the Jovian radiation environment are discussed. Camera optics are inherited from Voyager; filter wavelengths are chosen to enable discrimination of Galilean-satellite surface chemical composition. The CCO design, an 800 by 800-element 'virtual-phase' solid-state silicon image-sensor array with supporting electronics, is described with detailed discussion of the thermally generated dark current, quantum efficiency, signal-to-noise ratio, and resolution. Tests of the effect of ionizing radiation were performed and are analyzed statistically. An imaging mode using a 2-1/3-sec frame time and on-chip summation of the signal in 2 x 2 blocks of adjacent pixels is designed to limit the effects of the most extreme Jovian radiation. Smearing due to spacecraft/target relative velocity and platform instability will be corrected for via an algorithm maximizing spacial resolution at a given signal-to-noise level. The camera is expected to produce 40,000 images of Jupiter and its satellites during the 20-month mission.

Klaasen, K. P.↗
NASA NTRS2003

A Program to Detect and Characterize Extra-Solar Giant Planets

We initiated a significant hardware upgrade to the AFOE, to increase its efficiency for precise radial velocity studies to the level where we can continue to contribute usefully to extrasolar planet research on relatively bright stars. The AFOE, at a 1.5-m telescope, will of course not have the sensitivity of radial velocity instruments at larger telescopes, such as the HIRES on Keck or the Hectochelle on the MMT telescope (about to come on line). However, it has been possible to increase its efficiency for precise radial velocity studies by a factor of 4 to 5, which-combined with the large amount of telescope time available at the 1.5-m telescope-will permit us to do intensive follow-up observations of stars brighter than about 8 magnitude. The AFOE was originally designed primarily for asteroseismology using a ThAr reference. This provided useful wavelength stability over tens of minutes as required for asteroseismology, but we were unable to get a long-term (month-to-month) velocity precision better than about 15 m/s with that setup. Hence, we implemented an iodine cell as a wavelength reference for extrasolar planet studies. However, the optical design of the original AFOE did not completely span the wavelength range covered by the iodine absorption spectrum, and furthermore the optics suffered significant light loss through optical obscuration in the camera secondary. To remedy this, we replaced the AFOE grating with a new one that covered the entire iodine spectral range at somewhat lower spectral resolution, and replaced the camera with a transmitting lens. (The use of a lens was made possible by restricting the spectral range covered by the upgraded AFOE to only the iodine region.) These upgrades were successfully completed, and the instrument was tested for three nights in fall of 2002. The expected improvement in sensitivity by a factor of 4 to 5 was observed: that is, the same velocity precision as previously attained (of order 5 to 7 m/s) was now obtained on a stars that are about 4 to 5 times fainter. Unfortunately, just after installing the new AFOE optics, there was a catastrophic failure of the old Tektronix CCD. A careful investigation was made, and it was determined that the failure was probably due to too many thermal cyclings over the previous 8 years. The only solution was to purchase a new CCD. Internal funds of $16,000 were found for this purpose, and the new CCD (a thinned, back-illuminated Marconi 2K x 2K device with 13.5 micron pixels, and employing dual readout channels to keep the readout time as short as 20 seconds) was ordered, has now arrived, and is currently under test before 1 being installed in the AFOE liquid nitrogen dewar. At the same time, we expect to implement new CCD control electronics. This system should be better in many ways than the previous detector (including eliminating the need for UV flashing to maximize the quantum efficiency). We plan to install the detector on the telescope and begin operations again in April of this year.

Lindstrom, David↗
NASA NTRS2005

NASA Tech Briefs, January 2005

Topics covered include: Fiber-Optic Sensor Would Monitor Growth of Polymer Film; Sensors for Pointing Moving Instruments Toward Each Other; Pd/CeO2/SiC Chemical Sensors; Microparticle Flow Sensor; Scattering-Type Surface-Plasmon-Resonance Biosensors; Diode-Laser-Based Spectrometer for Sensing Gases; Improved Cathode Structure for a Direct Methanol Fuel Cell; X-Band, 17-Watt Solid-State Power Amplifier; Improved Anode for a Direct Methanol Fuel Cell; Tools for Designing and Analyzing Structures; Interactive Display of Scenes with Annotations; Solving Common Mathematical Problems; Tools for Basic Statistical Analysis; Program Calculates Forces in Bolted Structural Joints; Integrated Structural Analysis and Test Program; Molybdate Coatings for Protecting Aluminum Against Corrosion; Synthesizing Diamond from Liquid Feedstock; Modifying Silicates for Better Dispersion in Nanocomposites; Powder-Collection System for Ultrasonic/Sonic Drill/Corer; Semiautomated, Reproducible Batch Processing of Soy; Hydrogen Peroxide Enhances Removal of NOx from Flue Gases; Subsurface Ice Probe; Real-Time Simulation of Aeroheating of the Hyper-X Airplane; Using Laser-Induced Incandescence To Measure Soot in Exhaust; Method of Real-Time Principal-Component Analysis; Insect-Inspired Flight Control for Unmanned Aerial Vehicles; Domain Compilation for Embedded Real-Time Planning; Semantic Metrics for Analysis of Software; Simulation of Laser Cooling and Trapping in Engineering Applications; Large Fluvial Fans and Exploration for Hydrocarbons; Doping-Induced Interband Gain in InAs/AlSb Quantum Wells; Development of Software for a Lidar-Altimeter Processor; Upgrading the Space Shuttle Caution and Warning System; and Fractal Reference Signals in Pulse-Width Modulation.

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