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DOE OSTI2025

Thermodynamic Theory of Proximity Ferroelectricity

Proximity ferroelectricity has recently been reported as a new design paradigm for inducing ferroelectricity, where a nonferroelectric polar material becomes a ferroelectric one by interfacing with a thin ferroelectric layer. Strongly polar materials, such as AlN and ZnO, which were previously unswitchable with an external field below their dielectric breakdown fields, can now be switched with practical coercive fields when they are in intimate proximity to a switchable ferroelectric. Here, we develop a general Landau-Ginzburg theory of proximity ferroelectricity in multilayers of nonferroelectrics and ferroelectrics to analyze their switchability and coercive fields. The theory predicts regimes of both “proximity switching,” where the multilayers collectively switch, and “proximity suppression,” where they collectively do not switch. The mechanism of the proximity ferroelectricity is an internal electric field determined by the polarization of the layers and their relative thickness in a self-consistent manner that renormalizes the double-well ferroelectric potential to lower the steepness of the switching barrier. Further reduction in the coercive field emerges from charged defects in the bulk that act as nucleation centers. The application of the theory to proximity ferroelectricity in Al x−1⁢ Sc x ⁢N/AlN and Zn 1−x ⁢Mg x ⁢O/ZnO bilayers is demonstrated. The theory further predicts that dielectric-ferroelectric and paraelectric-ferroelectric multilayers can potentially lead to induced ferroelectricity in the dielectric or paraelectric layers, resulting in the entire stack being switched, an exciting avenue for new discoveries. This thawing of “frozen ferroelectrics,” paraelectrics, and potentially dielectrics with high dielectric constants promises a large class of new ferroelectrics with exciting prospects for previously unrealizable domain-patterned optoelectronic and memory technologies.

36 MATERIALS SCIENCE↗

NASA NTRS1999

In-Situ Spectrometry of Neutrons

High energy charged particles of extra-galactic, galactic and solar origin collide with spacecraft structures in Earth orbit outside the atmosphere and in interplanetary travel beyond the Earth's magnetosphere. These primaries create a number of secondary particles inside the structures that can produce a significant ionizing radiation environment. This radiation is a threat to long term inhabitants or travelers for space missions and produces an increased risk of cancer and DNA damage. The primary high energy cosmic rays and trapped protons collide with common spacecraft materials such as aluminum and silicon and create secondary particles inside structures that are mostly protons and neutrons. Charged protons are readily detected and instruments are already in existence for this task. Neutrons are electrically neutral and therefore much more difficult to measure and detect. These neutrons are reported to contribute 30-60% of the dose inside space structures and cannot be ignored. Currently there is no compact, portable and real time neutron detector instrumentation available for use inside spacecraft or on planetary surfaces where astronauts will live and work. We propose to design and build a portable, low power and robust neutron spectrometer that will measure the neutron spectrum from 10 KeV to 500 MeV with at least 10% energy resolution in the various energy intervals. This instrument will monitor the existing neutron environment both inside spacecraft structures and on planetary surfaces to determine the safest living areas, warn of high fluxes associated with solar storms and assist the NSBRI Radiation Effects Team in making an accurate assessment of increased cancer risk and DNA damage to astronauts. The instrument uses a highly efficient proportional counter Helium 3 tube at the lowest energy intervals where .equivalent damage factors for tissue are the highest (10 KeV-2 MeV). The Helium 3 tube may be shielded with a cadmium absorber to eliminate the much less damaging, but more prevalent, thermal and epithermal neutrons and to make the structure of the spectrum more accurate in the 20 KeV-2 MeV range; or a pair of tubes, one shielded and one unshielded, can be combined so that the difference in their counts yields the thermal neutron contribution. The spectrometer also uses a 5mm lithium drifted bulk silicon solid state detector in the medium energy range of 2-20 Mev and two standard silicon surface barrier detectors separated by tens of millimeters behind a I cm thick polyethylene moderator in a stack or telescope arrangement for the high energy neutrons (>20 MeV). In the medium and high energy regions equivalent damage factors are lower but hits from one or a small number of neutrons may prove to be important. The silicon detector systems for medium and high energy neutrons will discriminate against charged particles by using a plastic cesium iodide scintillator of an appropriate geometry monitored by a silicon PIN photodiode.

Maurer, Richard H.↗

DOE OSTI2026

Tailorable multiferroic tunnel junctions from all-van der Waals multilayer stacking

Multiferroic tunnel junctions (MFTJs) represent a class of multistate, non-volatile spintronic devices, in which electron tunnelling can be manipulated by switching long-range lattice and spin orders. In contrast to conventional oxide-based MFTJs, MFTJs constructed from two-dimensional van der Waals (vdW) crystals promise minimal defect concentration in the constituents and at interfaces, which may allow for probing intrinsic tunnelling physics and the development of high-performance devices. Here, in this study, we construct Fe 3 GeTe 2 /CuInP 2 S 6 /Fe 3 GeTe 2 all-vdW MFTJs by assembling multilayer flakes of ferromagnetic Fe 3 GeTe 2 electrodes and a ferroelectric CuInP 2 S 6 spacer. These MFTJs exhibit four non-volatile resistance states featuring sizable tunnelling magnetoresistance of ∼10 2 % and tunnelling electroresistance of ∼10 4 %. To tune the properties of the vdW MFTJ, we make use of the flexibility in material choice offered by vdW heterostructure devices; we use Fe 3 GeTe 2 /Fe 5 GeTe 2 asymmetric electrodes to boost the tunnelling electroresistance by 10 3 %, we integrate In 2 Se 3 as a ferroelectric with a smaller bandgap to enhance the ON-state current density by 10 4 % to 10 4 A cm −2 and we use Fe 3 GaTe 2 electrodes to demonstrate room temperature operation. Furthermore, when we combine the asymmetric ferromagnetic electrodes with the small-bandgap ferroelectric spacer to construct Fe 3 GeTe 2 /In 2 Se 3 /Fe 5 GeTe 2 MFTJs, we simultaneously realized tunnelling electroresistance of 10 6 % and an ON-state current density of 10 4 A cm −2 , both two orders of magnitude higher than the highest values achieved with conventional oxide-based MFTJs. In the future, our all-vdW MFTJs with the tailorability of all functional layers may make it possible to investigate fundamental aspects of interlayer tunnelling and enable the design of functional magnetoelectric nanodevices.

Xie, Ti [University of Maryland, College Park, MD ↗

DOE OSTI2021

Cytochrome Nanowire XRD

Microbial metabolism plays an important role in the global cycling of carbon, nutrients, and metals. Recent discovery of microorganisms sharing energy using direct electrical connections might represent a prominent strategy by which anaerobic microorganisms interact with the diversity of environments. The purpose of the proposed research is to apply these newly developed principles of electron exchange in microbial communities to the study of biogeochemical cycling in climate and subsurface systems. Previous studies revealed that soil bacteria Geobacter sulfurreducens produce conductive pili nanofilaments that facilitate long-range electron transport to extracellular electron acceptors and other cells. This discovery has already transformed our understanding of the function of microbial communities in diverse environments, making basic contributions to microbial ecology and helping to improve practical applications such as increasing current output of microbial fuel cells and enhancing the conversion of organic waste to methane. Microbial electron exchange via pili may also contribute to methane production in terrestrial environments that are major sources of atmospheric methane. However, the mechanism of electron transport through pili is not well understood. Initial studies have suggested that pili exhibit metallic-like conductivity similar to conducting polymer polyaniline. However, these studies were limited to electrical measurements. X-ray diffraction studies have suggested that aromatic amino acids tyrosine and phenylalanine are closely packed in pili. But these studies used homology modeling to predict the pilus assembly and information about the number of monomers in each pilus assembly unit and their organization are still lacking. The central hypothesis of this proposal is aromatics in pili enable intermolecular electron delocalization due to pi-stacking that can give rise to metallic-like conductivity. By analyzing pili structure using infrared scattering-scanning near field optical microscope (IR s-SNOM) and combining with solution NMR, Focused Ion Beam (FIB and computational capabilities, this work will provide comprehensive understanding of the conduction mechanism from a structure-function perspective. The specific aims are: 1) With infrared scattering scanning near field optical microscope (IR s-SNOM), image the organization and density of pilin monomers and pH-induced conformational changes in a pilus filament. 2) With solution NMR, resolve pH-induced structural changes in the pilin monomer. 3) Using Focused Ion Beam (FIB), draw electrodes on single pili to measure their conductivity. 4) With computational modeling using the NWChem, simulate the effect of environment on the electronic properties of pili as a function of pH. The proposed work will gain the nanoscale insight into the structure of the pili, as the basis for understanding interspecies electrical communications. The improved understanding will be harnessed to accelerate bioenergy production and bioremediation using pili as well as for predictive modeling of carbon cycling in diverse environments to reach the central goals of DOE-BER to develop sustainable energy sources, regulate the contaminants in the subsurface and understand the effects of greenhouse gas emissions on biosphere. The proposed studies will provide design principles for engineering of electrical interactions among these communities by manipulating the amino acid composition of pili. Moreover, these studies will identify the forces that maintain the function of these communities in the face of environmental perturbation. Therefore, these studies will help to address the need "to incorporate process understanding of biogeochemical cycling into a scalable hierarchy of predictive capabilities" specified in EMSL's Science Themes.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2002

Ion Storage Tests with the High Performance Antimatter Trap (HiPAT)

The NASA/Marshall Space Flight Centers (NASA/MSFC) Propulsion Research Center (PRC) is evaluating an antiproton storage system, referred to as the High Performance Antiproton Trap (HiPAT). This interest stems from the sheer energy represented by matter/antimatter annihilation process with has an energy density approximately 10 order of magnitude above that of chemical propellants. In other terms, one gram of antiprotons contains the equivalent energy of approximately 23 space shuttle external tanks or ET's (each ET contains roughly 740,000 kgs of fuel and oxidizer). This incredible source of stored energy, if harnessed, would be an enabling technology for deep space mission where both spacecraft weight and propulsion performance are key to satisfying aggressive mission requirements. The HiPAT hardware consists of a 4 Tesla superconductor system, an ultra high vacuum test section (vacuum approaching 10(exp -12) torr), and a high voltage confinement electrode system (up to 20 kvolts operation). The current laboratory layout is illustrated. The HiPAT designed objectives included storage of up to 1 trillion antiprotons with corresponding lifetimes approaching 18 days. To date, testing has centered on the storage of positive hydrogen ions produced in situ by a stream of high-energy electrons that passes through the trapping region. However, due to space charge issues and electron beam compression as it passes through the HiPAT central field, current ion production is limited to less then 50,000 ions. Ion lifetime was determined by counting particle populations at the end of various storage time intervals. Particle detection was accomplished by destructively expelling the ions against a micro-channel plate located just outside the traps magnetic field. The effect of radio frequency (RF) stabilization on the lifetime of trapped particles was also examined. This technique, referred to as a rotating wall, made use of a segmented electrode located near the center of the trap on which various phases of a particular frequency were applied. Various experiments were performed illustrating the ability of an RF drive to both prolong and reduced the lifetimes of various ion species depending on the selected frequency. HiPAT is now being reconfigured for testing with an ion source that will provide both positive and negative hydrogen ions from an external source. This ion system shall provide higher fill capacity (order of million of ions per shot), stacking of multiple shots, and injection schemes typical of a realistic antiproton delivery system.

Martin, James J.↗

NASA NTRS2006

Novel Concept for LSS Based on Advanced Microalgal Biotechnologies

One of the key issues for successful human space exploration is biomedical life support in hostile space and planetary environments that otherwise cannot sustain life. Bioregenerative life support systems (LSS) are one of the options for atmospheric regeneration. To date, no bioregenerative LSS has shown capability for 100% air regeneration. Nor have these LSS been robust enough to simultaneously provide a regenerable complete food source. In contrast to microalgae, traditional plant approaches, e.g. wheat and lettuce, are lacking essential amino acids, vitamins, and micronutrients. Moreover, the rate of photosynthesis by microalgae significantly exceeds that of high plants. Nevertheless, the employment of microalgae in LSS technology was restricted, until recently, due to high water demands. Also the per person requirement of a 40L volume of microalgae in a photobioreactor, to provide daily O2 production, made an algae-based approach less attractive. By employing a vertically stacked membrane bioreactor, coupled with a solar tracker and photon-delivery system, a lightweight air revitalization system for space based applications, with minimal water requirements, can be developed. Our preliminary estimations suggest that a membrane bioreactor, 8m3 in volume, comprised of 80m2 (twenty 2m x 2m membranes, each spaced 10 cm apart), and a total of 70L of water could produce 2.7 kg of dried microalgal biomass that would supply the energy and essential amino acid requirements, as well as producing sufficient O2 for the daily needs of a 15 member crew. Research on the biochemical content of edible blue-green alga Spirulina (Arthrospira) platensis shows a wide spectrum of stable Spirulina mutants with an enhanced content of amino acids, -carotene, and phycobilliprotein c-phycocyanin. Feeding animals suffering from radiation-induced lesions, c-phycocyanin, extracted from strain 27G, led to a correction in the decrement of dehydrogenase activity and energy-rich phosphate levels, as well as improved antioxidant defense and pyruvate levels, compared to untreated animals. Experimental anemia in rats was corrected by feeding Spirulina platensis strains 198B and 27G, (with an enhanced content of methionine, phycobiliproteins and carotenoids). Spirulina was recently shown by Ananyev et al, 2005, to be an oxygenic organism with the highest level of photosystem II activity (O2 production). We propose therefore to develop a design for membrane-based photoreactors for Lunar and Mars exploration habitat LSS, for the cultivation of genetically modified strains of Spirulina to scrub CO2 and supply astronauts with O2, protein, vitamins, and immunostimulators.

Brown, I.↗

DOE OSTI2022

Cross-Cutting Metrology Tools for In Operando Characterization of Carrier Dynamics in Photovoltaic Devices (Final Technical Report)

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher V oc and photovoltaic (PV) efficiency. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but not all materials are strongly emissive or otherwise suitable. Time-resolved terahertz spectroscopy is a pump – probe method that presents valuable complementary information, wherein an optical pump pulse photoexcites carriers within the absorber and the transient photoconductivity is probed with a terahertz pulse. Until now, experimental constraints have prohibited the use of terahertz probes to interrogate full device stacks, and measurements were instead made on exfoliated films or films grown on unconventional substrates. However, interfaces are critical to the behavior of photoexcited carriers in solar cells, and the substrates themselves often influence the film growth and bulk properties. Therefore, it is important to probe the behavior of PV absorbers as close as possible to their normal operating conditions. Here we have developed cross-cutting metrology that enable in operando characterization of carrier dynamics and recombination mechanisms in working PV devices. Through a combination of complementary non-contact TRTS and TRPL experiments and modeling, we have obtained key parameters including photoexcited carrier bulk lifetime and interface and back surface recombination velocities with greater precision and accuracy than can be achieved with conventional TRPL alone. By varying pulsed photoexcitation conditions, the contributions of interface and bulk recombination mechanisms can be determined. We have developed and refined this characterization approach by investigating CdTe PVs, which is a well-established technology but with significant margin for further improvements in efficiency. Results were published in Journal of Applied Physics (DOI: 10.1063/5.0064730) and Proceedings of the IEEE PVSC (DOI: 10.1109/PVSC43889.2021.9518559). After validating the approach, we have applied it to correlate recombination rates to processing conditions and material properties, including composition and defects as well as interfaces and surface treatments. Such feedback can inform processing and design choices to enable higher PV efficiency, not only for CdTe, but also CdSe x Te 1-x , CIGS, perovskites, kesterites, and future technologies. A perspective on predicting solar cell performance from terahertz spectroscopy was published in Advanced Energy Materials (DOI: 10.1002/aenm.202102776). The cross-cutting metrology tools developed here will enable determination of the locus and mechanism of performance-limiting recombination in thin film PV devices. This feedback can guide the engineering of PV devices with higher V oc and efficiency, thereby leading to reductions in levelized cost of electricity to meet the SunShot 2030 target of $0.03/kWh for utility-scale PV. Lower costs will enable rapid expansion of renewable electricity generation that is nearly free of carbon emissions. Reducing carbon emissions of the electricity sector is one of the most important solutions to climate change. The project’s specific focus on CdTe PV can benefit First Solar, the US company that is the global leader in CdTe technology, through both technology and workforce development.

14 SOLAR ENERGY↗

DOE OSTI2025

Emergent Above-Gap Photoluminescence in Molecularly Engineered Hybrid Bilayer Crystals

Bilayer crystals, built by stacking two-dimensional (2D) covalent monolayers, give rise to coupled excitonic states whose properties are constrained by fixed lattice symmetry and orientation. Replacing one covalent monolayer with a 2D molecular crystal––held together by non-covalent forces––overcomes this limitation, as molecular functional groups afford tunable in-plane lattice geometry, intermolecular spacing, and interlayer coupling, providing a powerful knob for exciton engineering. Here, in this study, we report four-atom-thick hybrid bilayer crystals (HBCs) synthesized by directly growing single-crystalline PDI molecular crystal atop WS 2 monolayers, which exhibit a robust photoluminescence (PL) peak 120 meV above the WS 2 optical band gap alongside a belowgap emission. Both peaks display strong polarization anisotropy—nearing unity for the above-gap emission—and maintain a perfectly linear power-law dependence up to an excitation density of ~10 7 mW/cm 2 , indicative of coexisting localized and delocalized excitonic states. Substituting PDI with a PTCDA monolayer on WS 2 fully quenches PL, demonstrating molecular control over excitonic emission. Lattice scale ab initio GW and GW-BSE calculations reveal a significantly hybridized bilayer band structure in PDI/WS 2 that supports interlayer excitonic species both above and below the WS 2 gap with strong polarization anisotropy, in excellent agreement with experiment. Our work introduces a molecule-based bilayer platform for the bottom-up design and control of excitonic phenomena in atomically thin optoelectronic and quantum materials.

2D materials↗

NASA NTRS2002

Overview of the High Performance Antiproton (HiPAT) Experiment

The annihilation of matter with antimatter represents the highest energy density of any known reaction, producing 10(exp 8) MJ/g, approximately 10 orders of magnitude more energy per unit mass than chemical based combustion. To take the first step towards using this energy for propulsion applications the NASA MSFC Propulsion Research Center (PRC) has initiated a research activity examining the storage of low energy antiprotons. Storage was identified as a key enabling technology since it builds the experience base necessary to understand the handling of antiprotons for virtually all utilization and high-density storage concepts. To address this need, a device referred to as the High Performance Antiproton Trap (HiPAT) is under development at the NASA MSFC PRC. The HiPAT is an electromagnetic system (Penning-Malmberg design) consisting of a 4 Tesla superconductor, a high voltage confinement electrode system (operation up to 20 KV), and an ultra high vacuum test section (operating in the 10(exp -12) torr range). The system was designed to be portable with an ultimate goal of maintaining 10(exp 12) charged particles with a half-life of 18 days. Currently, this system is being experimentally evaluated using normal matter ions which are cheap to produce and relatively easy to handle. These normal ions provide a good indication of overall trap behavior, with the exception of assessing annihilation losses. The ions are produced external to HiPAT using two hydrogen ion sources, with adjustable beam energy and current. Ion are transported in a beam line and controlled through the use of electrostatic optics. These optics serve to both focus and gate the incoming ions, providing microsecond-timed pulses that are dynamically captured by cycling the HiPAT electric containment field like a 'trap door'. The layout of this system more closely simulates the operations expected at an actual antiproton production facility where 'packets' of antiprotons with pulse widths measured in 100's of nanoseconds could be provided. Initial dynamic capture experiments have been performed with both trap and ton source system functioning at approximately 10% of maximum levels, minimizing the potential for extraneous effects. Dynamic trapping techniques demonstrated the successful capture of millions of hydrogen ions with good agreement with the predicted loading based on the timing sequence, trap electric field, and ion beam current. These techniques will be expanded to examine multiple shot capture or 'stacking' to increase the total number of ions stored within HiPAT.

Martin, James J.↗

DOE OSTI2024

Laser powder bed fusion of oxide dispersion-strengthened IN718 alloys: A complementary study on microstructure and mechanical properties

In this study, two new grades of oxide dispersion strengthened (ODS) Inconel 718 (IN718) alloys were designed by the thermochemical CALPHAD method and produced by laser powder bed fusion (LPBF) technique. Alloys designated as IN718-YF and IN718-YFH, that consist Y 2 O 3 –FeO and Y 2 O 3 –FeO–Hf, respectively, were fabricated with >99.9 % densification using optimized process parameters. CALPHAD calculations were highly consistent with experimental findings, highlighting the formation of Al-containing Y–Ti–O and Y–Hf–O nano-oxides in both alloy types. Texture analyzes revealed no significant texture development in as-built (AB) or heat-treated (HT) alloys. Heat treatment was applied at 1050 °C for 1 h to enhance nano-oxide density. Further, the nano-oxide number density remained similar in IN718-YF while it decreased in IN718-YFH alloy as a result of carbide formation after the heat treatment. Besides, formation of secondary γ' particles was observed in the IN718-YFH/HT alloy. Even though the yield strengths of IN718-YF and IN718-YFH alloys in both AB and HT conditions were similar, the ductility of IN718-YFH was ~50 % less in almost all conditions compared to the ductility of IN718-YF. This has been shown to be as a result of irregular shaped micron-sized Y-Hf-O oxides, martensite formation in AB condition, increased amount of carbides and existence of secondary γ' particles in HT condition in IN718-YFH. High density of stacking faults (SF) forming at the interface of the nano-oxides have been detected in IN718-YF alloys. Besides dislocation/nanoparticle interactions, SFs which are responsible for the delocalization of the deformation improve the ductility of IN718-YF alloys. Overall, high temperature mechanical tests exhibit that both alloys have higher strength with improved ductility compared to the standard IN718 alloys, indicating the contribution of the nano-oxides.

36 MATERIALS SCIENCE↗

DOE OSTI2024

WETO Software Stack Best Practices

Wind energy researchers typically share one key characteristic: a passion for increasing wind energy in the global energy mix. The U.S. Department of Energy (DOE) supports this mission in a number of ways including allocating funding directly to various aspects of wind energy research through the Office of Energy Efficiency and Renewable Energy (EERE) via the Wind Energy Technologies Office (WETO). While the traditional output of research is academic publication, software development efforts are increasingly a major focus. Software tools in the research environment allow researchers to describe an idea and quickly increase the scope and scale as they study it further. As a product of research, these tools represent a direct pipeline from researcher to industry practitioners since they are the implementation of ideas described in academic publications. Given this vital role in wind energy research and commercial development, the broad research software portfolio supported by WETO must maintain a minimum level of quality to support the wind energy field in the growing transition to renewable energy. This report outlines a series o f best practices to be adopted by all WETO-supported software projects, as well as expectations that the communities interacting with these projects should have of the developers and tools themselves. Wind energy research software has a unique standing in the field of scientific software. The stakeholders are varied with a subset being: (1) DOE EERE leadership, (2) DOE WETO leadership and program managers, (3) National lab leadership, (4) Associated project principle investigators, (5) Research software engineers, (6) Wind energy researchers in academia (including graduate students, post docs, and national lab staff), (7) Industry researchers and practitioners, (8) Commercial software developers, and (9) The general public interested in wind energy. These software are typically the end-user of other generic software libraries, so the funding cycles are often tied to applied research rather than the development of the software itself. Since the developers are also wind energy researchers, these tools are typically designed in a way that closely resembles the application in which they're used. Additionally, the expertise and incentives for the developers have a high variability, and often neither are aligned with software engineering or computer science. Given the unique environment in which wind energy research software is produced and consumed, it is critical for model owners to understand the context of their software. A framework for developing this understanding is to answer the following questions of a given software project: What is it's purpose? What is its role in the field of wind energy? What is the profile of the expected users? For how long will it be relevant? What is the expected impact? These questions allow model owners to identify the appropriate methods for the design, development, and long term maintenance of their software. Additionally, the answer provide context for future planners to understand why particular decisions were made and discern the consequences of changing course. The information is aggregated from experience within WETO-supported software development groups as well as external organizations and efforts to define the craft of research software engineering. These best practices aim to make the collaborative development process efficient and effective while improving the model understanding across stakeholders. Additionally, the general adoption of a common framework for software quality ensures that the end users of WETO software can trust these tools and accurately understand the risks to workflow integration.

17 WIND ENERGY↗

NASA NTRS1989

Laminar-flow wind tunnel experiments

Although most of the laminar flow airfoils recently developed at the NASA Langley Research Center were intended for general aviation applications, low-drag airfoils were designed for transonic speeds and wind tunnel performance tested. The objective was to extend the technology of laminar flow to higher Mach and Reynolds numbers and to swept leading edge wings representative of transport aircraft to achieve lower drag and significantly improved operation costs. This research involves stabilizing the laminar boundary layer through geometric shaping (Natural Laminar Flow, NLF) and active control involving the removal of a portion of the laminar boundary layer (Laminar-Flow Control, LFC), either through discrete slots or perforated surface. Results show that extensive regions of laminar flow with large reductions in skin friction drag can be maintained through the application of passive NLF boundary-layer control technologies to unswept transonic wings. At even greater extent of laminar flow and reduction in the total drag level can be obtained on a swept supercritical airfoil with active boundary layer-control.

Harvey, William D.↗

DOE OSTI2021

Giant anisotropic in-plane thermal conduction induced by Anomalous phonons in pentagonal PdSe 2

In two-dimensional materials, different atomic stacking induces anisotropic atomic interactions and phonon dispersions, leading to the anisotropy of in-plane thermal transport. In this work, we report an exceptional case in layered pentagonal PdSe 2 , where the bonding, force constants, and lattice constants are nearly-equal along the in-plane crystallographic axis directions, while the thermal conductivity is surprisingly much greater along b-axis than along a-axis with a ratio up to 1.8. Such strong anisotropy is not only unexpected in in-plane uniform structured materials, but also 2 comparable to the record high in-plane anisotropic thermal conductivity in the nonuniform structured material reported to date (the ratio is ~2.0 in TiS 3 ). By combining the inelastic X-ray scattering measurement and the first-principles calculations, we attribute such high anisotropy to the low-energy phonons along a-axis, particularly their lower group velocities and “avoided-crossing” behavior. The different buckling structures between a- (zigzag-type) and b-axis (flat-type) are mainly responsible for such unique phonon dynamics properties of PdSe 2 . This finding helps to discover materials with high anisotropic in-plane thermal conductivity in uniform structures and reveals new physics of anisotropy of in-plane thermal conduction. Due to the unique features in structure and thermal transport properties, PdSe 2 may serve as a new platform for designing novel devices to route heat flow precisely at the nanoscale.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Enhanced Light Outcoupling from OLEDs Fabricated on Novel Low-Cost Patterned Plastic Substrates of Varying Periodicity

OLEDs continue to make strides in display applications, but their commercial utilization in solid-state lighting (SSL) is lagging. An ongoing challenge, in particular for manufacturing, is the need for enhanced efficiency and hence the necessity to increase in an inexpensive approach the extraction of the light generated inside the OLED into the forward (viewing) hemisphere. In conventional OLEDs fabricated on a transparent flat anode coated on glass, the external quantum efficiency (EQE) is only ~20%. About 50% of the light is lost to internal waveguiding in the high refractive index (RI) organic + ITO anode layers and to surface plasmon polaritons (SPPs) at the organic/metal cathode interface. Another ~30% of the light is externally waveguided in the substrate to its edges. While extraction of the externally waveguided light is commonly addressed by adding a microlens array (MLA) or a scattering layer at the substrate’s air-side, light outcoupling increases by only ~1.6-1.7x (vs up to 2.5x in improving from ~20% to ~50%). The use of a hemispherical lens or an index matching fluid (IMF) at the substrate/photodetector (PD) interface increases the outcoupling by at least 2x; these approaches however, are not viable industrially, and even a MLA is sometimes undesirable due to its non-planar, scattering structure. In multi-stack tandem OLEDs, where the metal cathode is far from the emitting zone(s), the impact of photons loss to SPPs decreases. Our project addressed the ~50% loss to the internally waveguided light and SPPs. We evaluated OLEDs fabricated on patterned or planarized plastic substrates manufactured in a cost-effective approach compatible with a roll-to-roll (R2R) process. The OLEDs were either (i) patterned to various degrees depending on the pitch a and height or depth h of the pattern features or (ii) planar, with a pattern buried under a flat high RI planarization layer. We demonstrated that the outcoupling from green patterned OLEDs reaches ~50% by mitigating plasmon–related loss and internal waveguiding, even without the addition of a MLA, a hemispherical lens, or IMF. Simulations conducted in parallel with the experimental effort demonstrated how diffraction by conformally corrugated OLEDs increases the outcoupling to >60%. Structures with varying pitch values were also simulated indicating that combining domains of varying pitch could increase outcoupling to 55-60%. Experimentally, we additionally assessed the role a and h in determining not only the OLED efficiencies, but also their structural properties, i.e., the uniformity and conformality throughout the OLED stack. As planar OLEDs are preferred over corrugated devices, we studied different patterns in plastic substrates that were planarized by a high RI formulation. Planar green OLEDs on such structures showed enhanced efficiencies with EQEs larger than 60% with the addition of an IMF (to extract the substrate mode) at the substrate/Si PD interface. White OLEDs showed EQEs of 45.5%. Plastic substrates are currently less attractive than glass substrates due to drawbacks such as permeability to water vapor and oxygen, and in some cases thermal instability. Plastic substrates however, are flexible and easy to handle unlike thin flexible glass, and once transparent thin barrier films are available, they will become more attractive; they are already of interest in medical applications. Importantly, as it is easy to generate various patterns in different plastic materials, they provide excellent means for assessing and optimizing enhancing extracting structures. Such structures can also be transferred to glass substrates with some process modifications. The technical effectiveness and economic feasibility of the project lie in the patterning of the extracting plastic substrates in an approach that is scalable to R2R manufacturing. R2R processes are of drastically lower-cost than batch or single-unit fabrication. The patterned plastic can be a part of an integrated substrate either plastic or glass, which includes also a MLA or a planar layer with embedded scattering particles, as well as a conductive metal mesh/electrode design. SSL is environmentally-friendly and as OLED SSL becomes more efficient it will reduce electricity consumption, and hence lighting cost, as well as produce less expensive attractive lighting fixtures. Our university-industry collaboration is hence of major benefit to the public as it demonstrates the feasibility of manufacturing optimized extracting substrates for highly efficient OLEDs for SSL in a future R2R process, which would drastically reduce the manufacturing cost and increase production in the USA. Moreover, newly developed methods by our team allow low-cost roll manufactured substrates to be transferred to flexible or rigid glass substrates, which solves the plastic substrate barrier issues, and when combined with device encapsulation will increase the OLEDs’ environmental stability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2014

Ultra-Wideband, Dual-Polarized, Beam-Steering P-Band Array Antenna

A dual-polarized, wide-bandwidth (200 MHz for one polarization, 100 MHz for the orthogonal polarization) antenna array at P-band was designed to be driven by NASA's EcoSAR digital beam former. EcoSAR requires two wide P-band antenna arrays mounted on the wings of an aircraft, each capable of steering its main beam up to 35deg off-boresight, allowing the twin radar beams to be steered at angles to the flight path. The science requirements are mainly for dual-polarization capability and a wide bandwidth of operation of up to 200 MHz if possible, but at least 100 MHz with high polarization port isolation and low cross-polarization. The novel design geometry can be scaled with minor modifications up to about four times higher or down to about half the current design frequencies for any application requiring a dual-polarized, wide-bandwidth steerable antenna array. EcoSAR is an airborne interferometric P-band synthetic aperture radar (SAR) research application for studying two- and three-dimensional fine-scale measurements of terrestrial ecosystem structure and biomass, which will ultimately aid in the broader study of the carbon cycle and climate change. The two 2×8 element Pband antenna arrays required by the system will be separated by a baseline of about 25 m, allowing for interferometry measurements. The wide 100-to- 200-MHz bandwidth dual-polarized beams employed will allow the determination of the amount of biomass and even tree height on the ground. To reduce the size of the patches along the boresight dimension in order to fit them into the available space, two techniques were employed. One technique is to add slots along the edges of each patch where the main electric currents are expected to flow, and the other technique is to bend the central part of the patch away from the ground plane. The latter also facilitates higher mechanical rigidity. The high port isolation of more than 40 dB was achieved by employing a highly symmetrical feed mechanism for each pair of elements: three apertures coupling to the patch elements were placed along the two symmetry lines of the antenna element pair. Two apertures were used in tandem to excite two of the stacked patch elements for one polarization; the other was used to excite one element from one side and the other element from the other side, opposite in phase, taking care of the remaining polarization. The apertures narrow down to a small gap where they are excited by a crossing microstrip line to prevent any asymmetrical excitation of the two sides of the aperture gap, minimizing port-to-port coupling. Using patches that are non-planar leads to higher mechanical rigidity and smaller patch sizes to fit into the available space. Aperture coupling minimizes direct metal-to-metal connections. Using an aperture coupling feed mechanism results in a feed network for two antenna elements with a total of three feed points, plus one simple in-phase combiner to reduce it to two ports. It greatly reduces the complexity of the alternative, but more conventional, way of feeding a pair of two dual-polarized elements with high port isolation.

duToit, Cornelis↗

DOE OSTI2023

Assembly of Arbitrary Designer Heterostructures with Atomically Clean Interfaces

Van der Waals heterostructures are an excellent platform for studying intriguing interface phenomena, such as moiré and proximity effects. Many of these phenomena occurring in such heterostructures' interfaces and surfaces have so far been hampered because of their high sensitivity to disorder and interface contamination. Here, it reports a dry polymer-based assembly technique to fabricate arbitrary designer van der Waals heterostructures with atomically clean surfaces. The key features of the suspended dry pick-up and flip-over assembly technique are: 1) the heterostructure surface never comes into contact with polymers, 2) the assemble is entirely solvent-free, 3) it is entirely performed in a glovebox, and 4) it only requires temperatures below 130 °C. By performing ambient atomic force microscopy and atomically-resolved scanning tunneling microscopy on example heterostructures, it demonstrates the fabrication of air-sensitive heterostructures with ultra-clean interfaces and surfaces. It envisions that, due to the avoidance of polymer melting, this technique is potentially compatible with heterostructure assembly under ultra-high vacuum conditions, which promises ultimate heterostructure quality.

2D materials↗

NASA NTRS2000

Internet Technologies for Space-based Communications: State of the Art and Challenges

The Internet is rapidly changing the ways we communicate information around the globe today. The desire to provide Internet-based services to anyone, anywhere, anytime has brought satellite communications to the forefront to become an integral part of the Internet. In spite of the distances involved, satellite links are proving to be capable of providing Internet services based on Internet protocol (TCP/IP) stack. This development has led to the question particularly at NASA; can satellites and other space platforms become an Internet-node in space? This will allow the direct transfer of information directly from space to the users on Earth and even be able to control the spacecraft and its instruments. NASA even wants to extend the near earth space Internet to deep space applications where scientists and the public here on Earth may view space exploration in real time via the Internet. NASA's future solar system exploration will involve intensive in situ investigations of planets, moons, asteroids, and comets. While past missions typically involved a single fly-by or orbiting science spacecraft, future missions will begin to use fleets of small, highly intelligent robotic vehicles to carry out collaborative investigations. The resulting multi-spacecraft topologies will effectively create a wide area network spanning the solar system. However, this will require significant development in Internet technologies for space use. This paper provides the status'of the Internet for near earth applications and the potential extension of the Internet for use in deep space planetary exploration. The paper will discuss the overall challenges of implementing the space Internet and how the space Internet will integrate into the complex terrestrial systems those forms the Internet of today in a hybrid set of networks. Internet. We envision extending to the deep space environment such Internet concepts as a well-designed layered architecture. This effort will require an ability to develop and infuse new physical layer technology to increase network bandwidth at very low-bit error rates. In addition, we identify network technologies such as routers and switches needed to maintain standard application layer interfaces, while providing low-cost, efficient, modular networking solutions. We will describe the overall architectural approach to extending the concept of the Internet to space and highlight the important technological challenges and initiatives that will make it a reality.

Bhasin, K.↗

NASA NTRSDate not supplied

Fusion of Test and Analysis: Artemis I Booster to Mobile Launcher Interface Validation

NASA is in the midst of bold and exciting next steps in human exploration and spaceflight. The designs of the new Space Launch System (SLS), the Orion spacecraft and the Exploration Ground Systems (EGS) for vehicle processing and launch are essentially complete and there has been significant progress in manufacturing and assembly of specific hardware for the Artemis I and Artemis II missions. Equally as important, the program level and integrated system level testing and analyses are also well underway to support integrated verification, validation, and Certificate of Flight Readiness (CoFR) for Artemis I. Testing and analysis are key to addressing technical challenges faced by the Artemis missions. Building block approaches are required that provide the right balance between component, element, and/or system level testing that satisfies verification and validation objectives where uncertainties are quantified and minimized. Artemis I is a system of systems that requires a fusion of test and analysis that adeptly characterizes critical interfaces between major program elements. An example of this fusion involves characterizing the interface between the SLS booster and the Mobile Launcher (ML) Vertical Support Post (VSP) interfaces. Proper characterization of this interface represents a number of challenges beginning with the fact that it is a mating of ground support structure in the form of a civil structure to flight hardware. Both sides of the interface are built to different construction standards, but are governed by interface requirements to ensure compatibility when mated. From past program experience, the flexibility at the booster to ML interface is critical in developing accurate prelaunch stacking and cryogenic preloads, squat loads, and pad separation release of preloads and squat loads. This same premise holds for Artemis I. To characterize the asymmetric characteristics at this interface, careful consideration of static forces due to gravity loading with the commensurate effects due to leveling during booster stacking (i.e., spacing and shimming) and nonlinear geometric forces are necessary for inclusion in pre-test assessments. This paper will look at these issues for the upcoming Booster Pull Test in which two boosters will be installed on the ML and one of these boosters will undergo static lateral loading followed afterwards with dynamic excitation into resonance and free-decay. This paper evaluates the booster to ML interface characteristics by characterizing the interface flexibility between the booster aft skirt and the ML VSP interfaces. Furthermore, this paper methodically evaluates the effect of the following on the test outcome: gravitational effects on the booster and ML, the effects of VSP leveling, spacing, and shimming under gravitational loading during booster stacking, the effect of geometric nonlinear follower force due to cg offset as booster is laterally displaced, and the system coupling between the booster under test, ML, and the second booster. Simulated results for a static load pull and dynamic excitation provide insight into the differences in measurement responses when boundary conditions and geometric conditions are included and not included.

Joel W Sills Jr.↗