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DOE OSTI2022

All-electron, density-functional-based method for angle-resolved tunneling ionization in the adiabatic regime

Here we develop and test a method that integrates many-electron weak-field asymptotic theory (ME-WFAT) [O. I. Tolstikhin, L. B. Madsen, and T. Morishita, Phys. Rev. A 89, 013421 (2014)] in the integral representation (IR) into the density-functional-theory (DFT) framework. In particular, we present modifications of the integral formula in the IR ME-WFAT to incorporate the potential terms unique to DFT. By solving an adiabatic rate equation for the angle-resolved ionization yield in our DFT-based ME-WFAT method, we show that the results are in excellent agreement with those of real-time time-dependent density-functional-theory (TDDFT) simulations for NO, OCS, C⁢H 3 ⁢Br, and C⁢H 3 ⁢Cl interacting with one- and two-color laser fields with a fundamental wavelength of 800 nm. This agreement is significant because the WFAT calculations take only a small fraction of the time of full TDDFT calculations. These results suggest that in the wavelength region commonly used in strong-field experiments (800 nm and longer), our DFT-based WFAT treatment can be used to rapidly screen for the ionization properties of a large number of molecules as a function of alignment or orientation between the molecule and the strong field.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Bose-Einstein condensation phenomenology in systems with repulsive interactions

The role of repulsive interactions in statistical systems of Bose particles is investigated. Three different phenomenological frameworks are considered: A mean-field model, an excluded volume model, and a model with a medium-dependent effective mass. All three models are tuned to yield similar equations of state, with only minor deviations from the ideal Bose gas at small chemical potentials. Our analysis indicates, however, that these models lead to qualitatively different results for the Bose-Einstein condensation phenomenon. We discuss the different aspects of this phenomenon, namely, an onset of the Bose-Einstein condensation, particle number fluctuations, and a behavior of the Bose condensate. The obtained results can be helpful for interpreting the lattice QCD data at small temperature and large isospin chemical potential and the data on multiple pion production in high-energy nuclear collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Cation Dynamics in Hybrid Halide Perovskites

Hybrid halide perovskite semiconductors exhibit complex, dynamical disorder while also harboring properties ideal for optoelectronic applications that include photovoltaics. However, these materials are structurally and compositionally distinct from traditional compound semiconductors composed of tetrahedrally coordinated elements with an average valence electron count of silicon. The additional dynamic degrees of freedom of hybrid halide perovskites underlie many of their potentially transformative physical properties. Neutron scattering and spectroscopy studies of the atomic dynamics of these materials have yielded significant insights into their functional properties. Specifically, inelastic neutron scattering has been used to elucidate the phonon band structure, and quasi-elastic neutron scattering has revealed the nature of the uncorrelated dynamics pertaining to molecular reorientations. Understanding the dynamics of these complex semiconductors has elucidated the temperature-dependent phase stability and origins of defect-tolerant electronic transport from the highly polarizable dielectric response. Furthermore, the dynamic degrees of freedom of the hybrid perovskites provide additional opportunities for application engineering and innovation.

Materials Science↗

DOE OSTI2020

Low Cost (CAPEX and variable): Tool design for cell and module fabrication with thin, free-standing silicon wafers

This project aimed to develop technologies that can potentially enable free-standing thin (<80 μm) wafer in today’s manufacturing lines with high production yield, and thereby reduce capex barriers of silicon photovoltaics cells and modules. One of the major benefits is that thin wafer dramatically reduces the amount of polysilicon required. As a result, it can lead to reduction in the capital expenditures associated with polysilicon refining and wafer fabrication, which together are more than half of the total capital expenditure to manufacture Si PV module. We focused our efforts on developing the tools needed to enable high yield fabrication of wafer, cell, and module with thin silicon wafers. However, as the wafer thickness reduces, the major challenge is that wafer breakage increases significantly. Three technological areas were explored in this project to improve the production yield of the silicon wafer, namely detection of edge cracks via dark-field near-infrared (NIR) scattering; (2) wafer handling using controlled temperature profiles; (3) manufacturable low-stress cell interconnection for multiwire. First, the formation of wafer cracks in submillimeter length is one of the reasons that causes wafer breakages. Crack detection tools are needed to enable us to locate and track the wafer crack during manufacturing, so that we can improve the process to reduce initialization. The state-of-the-art crack detection technique cannot fulfill the need for measuring submillimeter edge cracks detrimental for thin wafers. The prototype developed in this project demonstrates the scanning of microcracks near wafer edges. With a semi-automatic laboratory setup, the submillimeter cracks were reliably detected near the edges in multi-Si wafers. The smallest detectable crack is 200 µm in length in slow scans; and submillimeter cracks are detected in high-throughput scans at the scan speed of >0.5 m/s, which is compatible with the inline detection of a manufacturing line at least 1 sec/wafer. This detection limit is a significant advancement in comparison to the benchmarked industrial tool. Second, wafer handling with the well-controlled temperature profile was thought to be the solution to reduce crack initiation and propagation during the manufacturing. However, without crack detection being widely adopted in production line, we did not find a strong industrial pull toward this technology. We did an initial literature survey and then diverted our efforts to the other tasks. Third, the innovation on low-stress multi-wire interconnection tackles a fundamental problem in the standard interconnection scheme. The standard over-under “zig-zag” interconnection induces a significant amount of stress into the soldering point on the cell whenever PV module is under stress, e.g., thermal cycling, transportation, and installation. Therefore, the interconnection process was re-designed in this project to allow for significant movement between adjacent solar cells, e.g., due to thermal expansion, without building up stresses on the solar cells or solder joints. The new interconnection method with the cross-connect wire also simplifies the tabbing and stringing process by replacing the standard over-under method with an off-cell interconnect from top to bottom. A manual tabbing and stringing tool for this new process was prototyped in the lab to demonstrate the fabrication of this new interconnection design. During the test with brass sheets as our “testing cells”, it was found that the mechanical cycling test only broke the interconnection after more than 50,000 cycles, which is equivalent to more than 130 years of the day-and-night thermal cycles. Lastly, throughout the project, we continuously analyzed the PV market with techno-economic analysis to identify the opportunity for thin Si adoption. Even though the drastic cost reduction has already happened in the past five years, our analysis results indicated that we can still save quite significantly in both manufacturing cost and factory capex, Particularly, in order to grow the PV manufacturing capacity to multi-terawatt level, reducing the thickness of silicon wafer is one of the most effective ways to quickly reduce factory capex, and sustain the high growth rate. The technologies developed in this project are readily available to provide some assistances in tackling the production yield problem.

14 SOLAR ENERGY↗

DOE OSTI2025

Assessment of Self-interrogation Safeguards Signatures for Pebble Bed Reactor Fuel

New reactor designs, such as pebble-bed reactors, present challenges for the safeguarding of fissile material. Due to the multi-pass fuel circulation design and the non-uniform path a pebble may traverse through a pebble-bed reactor, there will be variations in the irradiation history of spent fuel pebbles. The standard approach of estimating actinide quantities based on fission gamma spectra or neutron emission paired with depletion modeling may yield uncertainties too large for safeguards and material accountancy. This project investigated, through modeling and experimentation, the potential of neutron self-interrogation of spent fuel pebbles as an innovative method to implement materials accountability. As an example, our feasibility studies indicate that the mass of U-235, U-238, Pu-239 and Pu-241 can be predicted to 4.1, 0.86, 13 and 13 % accuracy, respectively, when measuring 100 closely packed end-of-life spent fuel pebbles over approximately 12 days using a 4π counting geometry.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1972

Direct observation of the lunar photoelectron layer.

The Charged-Particle Lunar Environment Experiment (CPLEE), a part of the Apollo 14 ALSEP, is an ion-electron spectrometer capable of measuring ions and electrons with energies between 40 eV and 50 keV. Accordingly, the instrument, with apertures 26 cm above the surface, has detected a layer of photoelectrons, or photoelectron gas above the sunlit lunar surface with energies ranging up to 200 eV. The experimental data for periods when the moon was in the earth's magnetotail for electron energies between 40 and 200 eV follows a defined power-law spectrum. The implications of this measurement are two-fold in that the lunar surface potential can be immediately determined to be at least 200 V, and a value of the photoelectron yield of the lunar surface material for photon energies above 40 eV may be computed.

Reasoner, D. L.↗

NASA NTRS1980

Gaalas/Gaas Solar Cell Process Study

Available information on liquid phase, vapor phase (including chemical vapor deposition) and molecular beam epitaxy growth procedures that could be used to fabricate single crystal, heteroface, (AlGa) As/GaAs solar cells, for space applications is summarized. A comparison of the basic cost elements of the epitaxy growth processes shows that the current infinite melt LPE process has the lower cost per cell for an annual production rate of 10,000 cells. The metal organic chemical vapor deposition (MO-CVD) process has the potential for low cost production of solar cells but there is currently a significant uncertainty in process yield, i.e., the fraction of active material in the input gas stream that ends up in the cell. Additional work is needed to optimize and document the process parameters for the MO-CVD process.

Almgren, D. W.↗

NASA NTRS1980

Preliminary evaluation of spectral, normal and meteorological crop stage estimation approaches

Several of the projects in the AgRISTARS program require crop phenology information, including classification, acreage and yield estimation, and detection of episodal events. This study evaluates several crop calendar estimation techniques for their potential use in the program. The techniques, although generic in approach, were developed and tested on spring wheat data collected in 1978. There are three basic approaches to crop stage estimation: historical averages for an area (normal crop calendars), agrometeorological modeling of known crop-weather relationships agrometeorological (agromet) crop calendars, and interpretation of spectral signatures (spectral crop calendars). In all, 10 combinations of planting and biostage estimation models were evaluated. Dates of stage occurrence are estimated with biases between -4 and +4 days while root mean square errors range from 10 to 15 days. Results are inconclusive as to the superiority of any of the models and further evaluation of the models with the 1979 data set is recommended.

Cate, R. B.↗

NASA NTRS1987

Soluble aromatic polyimides for film and coating applications

The effect of changing isomeric points of attachment of phenoxy units in the diamine portion of several all-aromatic polyimide systems on the solubility of these materials were investigated. It was found that solubility could be enhanced by the presence of meta and ortho isomer links in the diamine portion of the molecule. The soluble phenoxy-linked polyimides yield tough flexible colorless to pale-yellow transparent films from solutions of chlorinated solvents, with high potential for use in electronic applications.

St. Clair, Anne K.↗

NASA NTRS1989

Long-term stability of the earth's climate

The long-term climatic evolution of the earth has been studied on the basis of one-dimensional, globally-averaged climate models yielding only a qualitative understanding of climatic history, and in any case proceeding under a series of potentially invalid assumptions. One such major assumption, which invites comparison with a three-dimensional GCM, is that of fixed relative humidity. A GCM may also be used to study the problem of water loss from both the earth and Venus.

Kasting, James F.↗

NASA NTRS1990

Optical information processing for NASA's space exploration

The development status of optical processing techniques under development at NASA-JPL, NASA-Ames, and NASA-Johnson, is evaluated with a view to their potential applications in future NASA planetary exploration missions. It is projected that such optical processing systems can yield major reductions in mass, volume, and power requirements relative to exclusively electronic systems of comparable processing capabilities. Attention is given to high-order neural networks for distortion-invariant classification and pattern recognition, multispectral imaging using an acoustooptic tunable filter, and an optical matrix processor for control problems.

Chao, Tien-Hsin↗

NASA NTRS1944

On the flow of a compressible fluid by the hodograph method II : fundamental set of particular flow solutions of the Chaplygin differential equation

The differential equation of Chaplygin's jet problem is utilized to give a systematic development of particular solutions of the hodograph flow equations, which extends the treatment of Chaplygin into the supersonic range and completes the set of particular solutions. The particular solutions serve to place on a reasonable basis the use of velocity correction formulas for the comparison of incompressible and compressible flows. It is shown that the geometric-mean type of velocity correction formula introduced in part I has significance as an over-all type of approximation in the subsonic range. A brief review of general conditions limiting the potential flow of an adiabatic compressible fluid is given and application is made to the particular solutions, yielding conditions for the existence of singular loci in the supersonic range. The combining of particular solutions in accordance with prescribed boundary flow conditions is not treated in the present paper.

Garrick, I E↗

NASA NTRS2005

Origin of the Eumetazoa: testing ecological predictions of molecular clocks against the Proterozoic fossil record

Molecular clocks have the potential to shed light on the timing of early metazoan divergences, but differing algorithms and calibration points yield conspicuously discordant results. We argue here that competing molecular clock hypotheses should be testable in the fossil record, on the principle that fundamentally new grades of animal organization will have ecosystem-wide impacts. Using a set of seven nuclear-encoded protein sequences, we demonstrate the paraphyly of Porifera and calculate sponge/eumetazoan and cnidarian/bilaterian divergence times by using both distance [minimum evolution (ME)] and maximum likelihood (ML) molecular clocks; ME brackets the appearance of Eumetazoa between 634 and 604 Ma, whereas ML suggests it was between 867 and 748 Ma. Significantly, the ME, but not the ML, estimate is coincident with a major regime change in the Proterozoic acritarch record, including: (i) disappearance of low-diversity, evolutionarily static, pre-Ediacaran acanthomorphs; (ii) radiation of the high-diversity, short-lived Doushantuo-Pertatataka microbiota; and (iii) an order-of-magnitude increase in evolutionary turnover rate. We interpret this turnover as a consequence of the novel ecological challenges accompanying the evolution of the eumetazoan nervous system and gut. Thus, the more readily preserved microfossil record provides positive evidence for the absence of pre-Ediacaran eumetazoans and strongly supports the veracity, and therefore more general application, of the ME molecular clock.

NASA Discipline Evolutionary Biology↗

NASA NTRS1944

On the Flow of a Compressible Fluid by the Hodograph Method. II - Fundamental Set of Particular Flow Solutions of the Chaplygin Differential Equation

Garrick, I. E.↗

NASA NTRS2008

Adjustable-Viewing-Angle Endoscopic Tool for Skull Base and Brain Surgery

The term Multi-Angle and Rear Viewing Endoscopic tooL (MARVEL) denotes an auxiliary endoscope, now undergoing development, that a surgeon would use in conjunction with a conventional endoscope to obtain additional perspective. The role of the MARVEL in endoscopic brain surgery would be similar to the role of a mouth mirror in dentistry. Such a tool is potentially useful for in-situ planetary geology applications for the close-up imaging of unexposed rock surfaces in cracks or those not in the direct line of sight. A conventional endoscope provides mostly a frontal view that is, a view along its longitudinal axis and, hence, along a straight line extending from an opening through which it is inserted. The MARVEL could be inserted through the same opening as that of the conventional endoscope, but could be adjusted to provide a view from almost any desired angle. The MARVEL camera image would be displayed, on the same monitor as that of the conventional endoscopic image, as an inset within the conventional endoscopic image. For example, while viewing a tumor from the front in the conventional endoscopic image, the surgeon could simultaneously view the tumor from the side or the rear in the MARVEL image, and could thereby gain additional visual cues that would aid in precise three-dimensional positioning of surgical tools to excise the tumor. Indeed, a side or rear view through the MARVEL could be essential in a case in which the object of surgical interest was not visible from the front. The conceptual design of the MARVEL exploits the surgeon s familiarity with endoscopic surgical tools. The MARVEL would include a miniature electronic camera and miniature radio transmitter mounted on the tip of a surgical tool derived from an endo-scissor (see figure). The inclusion of the radio transmitter would eliminate the need for wires, which could interfere with manipulation of this and other surgical tools. The handgrip of the tool would be connected to a linkage similar to that of an endo-scissor, but the linkage would be configured to enable adjustment of the camera angle instead of actuation of a scissor blade. It is envisioned that thicknesses of the tool shaft and the camera would be less than 4 mm, so that the camera-tipped tool could be swiftly inserted and withdrawn through a dime-size opening. Electronic cameras having dimensions of the order of millimeters are already commercially available, but their designs are not optimized for use in endoscopic brain surgery. The variety of potential endoscopic, thoracoscopic, and laparoscopic applications can be expected to increase as further development of electronic cameras yields further miniaturization and improvements in imaging performance.

Bae, Youngsam↗

NASA NTRS2011

CMOS Imager Has Better Cross-Talk and Full-Well Performance

A complementary metal oxide/semiconductor (CMOS) image detector now undergoing development is designed to exhibit less cross-talk and greater full-well capacity than do prior CMOS image detectors of the same type. Imagers of the type in question are designed to operate from low-voltage power supplies and are fabricated by processes that yield device features having dimensions in the deep submicron range. Because of the use of low supply potentials, maximum internal electric fields and depletion widths are correspondingly limited. In turn, these limitations are responsible for increases in cross-talk and decreases in charge-handling capacities. Moreover, for small pixels, lateral depletion cannot be extended. These adverse effects are even more accentuated in a back-illuminated CMOS imager, in which photogenerated charge carriers must travel across the entire thickness of the device. The figure shows a partial cross section of the structure in the device layer of the present developmental CMOS imager. (In a practical imager, the device layer would sit atop either a heavily doped silicon substrate or a thin silicon oxide layer on a silicon substrate, not shown here.) The imager chip is divided into two areas: area C, which contains readout circuits and other electronic circuits; and area I, which contains the imaging (photodetector and photogenerated-charge-collecting) pixel structures. Areas C and I are electrically isolated from each other by means of a trench filled with silicon oxide. The electrical isolation between areas C and I makes it possible to apply different supply potentials to these areas, thereby enabling optimization of the supply potential and associated design features for each area. More specifically, metal oxide semiconductor field-effect transistors (MOSFETs) that are typically included in CMOS imagers now reside in area C and can remain unchanged from established designs and operated at supply potentials prescribed for those designs, while the dopings and the lower supply potentials in area I can be tailored to optimize imager performance. In area I, the device layer includes an n+ -doped silicon layer on which is grown an n-doped silicon layer. A p-doped silicon layer is grown on top of the n -doped layer. The total imaging device thickness is the sum of the thickness of the n+, n, and p layers. A pixel photodiode is formed between a surface n+ implant, a p implant underneath it, the aforementioned p layer, and the n and n+ layers. Adjacent to the diode is a gate for transferring photogenerated charges out of the photodiode and into a floating diffusion formed by an implanted p+ layer on an implanted n-doped region. Metal contact pads are added to the back-side for providing back-side bias.

Pain, Bedabrata↗

NASA NTRS2014

High Current Hollow Cathode Plasma Plume Measurements

Plasma plume measurements are reported for a hollow cathode assembly (HCA) operated at discharge currents of 50, 70, and 100 A at xenon flow rates between 19 - 46 standard cubic centimeter per minute. The HCA was centrally mounted in the NASA-300MS Hall Thruster and was operated in the "spot" and "plume" modes with additional data taken with an applied magnetic field. Langmuir probes, retarding potential analyzers, and optical emission spectroscopy were employed to measure plasma properties near the orifice of the HCA and to assess the charge state of the near-field plasma. Electron temperatures (2-6 electron volt) and plasma potentials are consistent with probe-measured values in previous investigations. Operation with an applied-field yields higher discharge voltages, increased Xe III production, and increased signals from the 833.5 nm C I line. While operating in plume mode and with an applied field, ion energy distribution measurements yield ions with energies significantly exceeding the applied discharge voltage. These findings are correlated with high-frequency oscillations associated with each mode.

High frequency analysis↗

NASA NTRS2019

Gravitational Influence on Intraocular Pressure: Implications for Spaceflight and Disease

Spaceflight-associated neuro-ocular syndrome (SANS) describes a series of morphologic and functional ocular changes in astronauts first reported by Mader and colleagues in 2011. SANS is currently clinically defined by the development of optic disc edema during prolonged exposure to the weightless (microgravity) environment, which currently occurs on International Space Station (ISS). However, as improvements in our understanding of the ocular changes emerge, the definition of SANS is expected to evolve. Other ocular SANS signs that arise during and after ISS missions include hyperopic shifts, globe flattening, choroidal/retinal folds, and cotton wool spots. Over the last 10 years, ~1 in 3 astronauts flying long-duration ISS missions have presented with ≥ 1 of these ocular findings. Commensurate with research that combines disparate specialties (vision biology and spaceflight medicine), lessons from SANS investigations may also yield insight into ground-based ocular disorders, such as glaucomatous optic neuropathy that may have the potential to lessen the burden of this irreversible cause of vision loss on Earth.

Episcleral venous pressure↗