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DOE OSTI2021

Spin splitting of dopant edge state in magnetic zigzag graphene nanoribbons

Spin-ordered electronic states in hydrogen-terminated zigzag nanographene give rise to magnetic quantum phenomena that have sparked renewed interest in carbon-based spintronics. Zigzag graphene nanoribbons (ZGNRs)-quasi one-dimensional semiconducting strips of graphene bounded by parallel zigzag edges-host intrinsic electronic edge states that are ferromagnetically ordered along the edges of the ribbon and antiferromagnetically coupled across its width. Despite recent advances in the bottom-up synthesis of GNRs featuring symmetry protected topological phases and even metallic zero mode bands, the unique magnetic edge structure of ZGNRs has long been obscured from direct observation by a strong hybridization of the zigzag edge states with the surface states of the underlying support. Here, we present a general technique to thermodynamically stabilize and electronically decouple the highly reactive spin-polarized edge states by introducing a superlattice of substitutional N-atom dopants along the edges of a ZGNR. First-principles GW calculations and scanning tunnelling spectroscopy reveal a giant spin splitting of low-lying nitrogen lone-pair flat bands by an exchange field (~850 tesla) induced by the ferromagnetically ordered edge states of ZGNRs. Finally, our findings directly corroborate the nature of the predicted emergent magnetic order in ZGNRs and provide a robust platform for their exploration and functional integration into nanoscale sensing and logic devices.

36 MATERIALS SCIENCE↗

NASA NTRS2016

AirSTAR Hardware and Software Design for Beyond Visual Range Flight Research

The National Aeronautics and Space Administration (NASA) Airborne Subscale Transport Aircraft Research (AirSTAR) Unmanned Aerial System (UAS) is a facility developed to study the flight dynamics of vehicles in emergency conditions, in support of aviation safety research. The system was upgraded to have its operational range significantly expanded, going beyond the line of sight of a ground-based pilot. A redesign of the airborne flight hardware was undertaken, as well as significant changes to the software base, in order to provide appropriate autonomous behavior in response to a number of potential failures and hazards. Ground hardware and system monitors were also upgraded to include redundant communication links, including ADS-B based position displays and an independent flight termination system. The design included both custom and commercially available avionics, combined to allow flexibility in flight experiment design while still benefiting from tested configurations in reversionary flight modes. A similar hierarchy was employed in the software architecture, to allow research codes to be tested, with a fallback to more thoroughly validated flight controls. As a remotely piloted facility, ground systems were also developed to ensure the flight modes and system state were communicated to ground operations personnel in real-time. Presented in this paper is a general overview of the concept of operations for beyond visual range flight, and a detailed review of the airborne hardware and software design. This discussion is held in the context of the safety and procedural requirements that drove many of the design decisions for the AirSTAR UAS Beyond Visual Range capability.

Laughter, Sean↗

DOE OSTI2023

Interactive Power to Frequency Dynamics Between Grid-Forming Inverters and Synchronous Generators in Power Electronics-Dominated Power Systems

With increased attention on grid-forming inverters as a power system stabilizing device during high shares of inverter-based resource operations, there is a present need for a transparent and methodical investigation of the inverted and direct power to frequency control capabilities and impacts of these devices on emerging power systems. Here, analysis of the frequency dynamics of the droop-controlled grid-forming inverter and the synchronous generator illuminates the inverted active power-frequency relationship and the frequency response order reduction, forming the basis for novel, nonlinear frequency control approaches. Device-level electromagnetic transient domain simulations corroborate the order-reduction findings, establish that a properly designed dc-side system has a negligible impact on power transfer and will not impede frequency regulation, and confirm the primary frequency response improvement with nonlinear control. Simulations of the 9- and 39-bus test systems validate the order reduction and associated decoupling of the nadir and rate of change of frequency in larger networks. Oscillatory mode analysis confirms the grid-forming benefit of increased damping; decreased damping is observed at shares above 80%, but not at 100%. Finally, simulations on a validated Maui power system model with a 96% of inverter-based resources model yield a trend toward a first-order response.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2013

Detection and Attribution of Anthropogenic Climate Change Impacts

Human-influenced climate change is an observed phenomenon affecting physical and biological systems across the globe. The majority of observed impacts are related to temperature changes and are located in the northern high- and midlatitudes. However, new evidence is emerging that demonstrates that impacts are related to precipitation changes as well as temperature, and that climate change is impacting systems and sectors beyond the Northern Hemisphere. In this paper, we highlight some of this new evidence-focusing on regions and sectors that the Intergovernmental Panel on Climate Change Fourth Assessment Report (IPCC AR4) noted as under-represented-in the context of observed climate change impacts, direct and indirect drivers of change (including carbon dioxide itself), and methods of detection. We also present methods and studies attributing observed impacts to anthropogenic forcing. We argue that the expansion of methods of detection (in terms of a broader array of climate variables and data sources, inclusion of the major modes of climate variability, and incorporation of other drivers of change) is key to discerning the climate sensitivities of sectors and systems in regions where the impacts of climate change currently remain elusive. Attributing such changes to human forcing of the climate system, where possible, is important for development of effective mitigation and adaptation. Current challenges in documenting adaptation and the role of indigenous knowledge in detection and attribution are described.

detection↗

NASA NTRS2019

Bit Error Rate Performance of a Free Space Optical Link Using Double Clad Fibers

Mobile and embedded applications are emerging in the growing field of free space optical links (FSOL). Some mobile applications for FSOL include spacecraft, aircraft, and automotive. These applications by nature require low size weight and power (SWaP) solutions. The main challenge with any FSOL system is the strict pointing requirements. Common solutions to pointing and alignment of FSOL include gimbals, fast steering mirrors, and adaptive optics. All of which provide viable solutions at the cost of increased SWaP. Previously, we presented the use of both large core fibers and double clad fibers (DCF) to interface FSOL transmit and receive optics with small form factor pluggable optical transceivers (SFP). Double clad fibers have been shown to enable a common optical path by transmitting through a single mode core and receiving through a large inner cladding. This enables a single set of symmetric transmit and receive optics, which decreases the SWaP. In addition, using DCF increases the received power stability of the link relative to a multi-mode fiber (MMF) transmitting. To determine the viability of the system, bit error rate performance needs to be investigated. The results of this paper show that at a bit rate of 10 Gbps, double clad fibers offer similar bit error rate performance to single mode fibers when transmitting and multi-mode fibers when receiving enabling a symmetric duplex FSOL reducing SWaP.

Small Form-Factor Pluggable Optical Transceiver↗

NASA NTRS2019

Bit Error Rate Performance of a Free Space Optical Link Using Double Clad Fibers

Double Clad Fiber↗

NASA NTRS1990

Vortex instabilities in 3D boundary layers: The relationship between Goertler and crossflow vortices

The inviscid and viscous stability problems are addressed for a boundary layer which can support both Goertler and crossflow vortices. The change in structure of Goertler vortices is found when the parameter representing the degree of three-dimensionality of the basic boundary layer flow under consideration is increased. It is shown that crossflow vortices emerge naturally as this parameter is increased and ultimately become the only possible vortex instability of the flow. It is shown conclusively that at sufficiently large values of the crossflow there are no unstable Goertler vortices present in a boundary layer which, in the zero crossflow case, is centrifugally unstable. The results suggest that in many practical applications Goertler vortices cannot be a cause of transition because they are destroyed by the 3-D nature of the basic state. In swept wing flows the Goertler mechanism is probably not present for typical angles of sweep of about 20 degrees. Some discussion of the receptivity problem for vortex instabilities in weakly 3-D boundary layers is given; it is shown that inviscid modes have a coupling coefficient marginally smaller than those of the fastest growing viscous modes discussed recently by Denier, Hall, and Seddougui (1990). However the fact that the growth rates of the inviscid modes are the largest in most situations means that they are probably the most likely source of transition.

Bassom, Andrew↗

DOE OSTI2022

Nanoscale Mapping and Defect-Assisted Manipulation of Surface Plasmon Resonances in 2D Bi 2 Te 3 /Sb 2 Te 3 In-Plane Heterostructures

Here, the Bi 2 Te 3 /Sb 2 Te 3 in-plane heterostructure is reported as a low-dimensional tunable chalcogenide well suited as plasmonic building block for the visible-UV spectral range. Electron-driven plasmon excitations of low-dimensional Bi 2 Te 3 /Sb 2 Te 3 are investigated by monochromated electron energy loss spectroscopy spectrum imaging. To resolve the nanoscale spatial distribution of various local plasmonic resonances, singular value decomposition is used to disentangle the spectral data and identify the individual spectral contributions of various corner, edge, and face modes. Furthermore, defect-plasmon interactions are investigated both for nanoscale intrinsic and thermally induced extrinsic polygonal defects (in situ sublimation). Signature of defect-induced red shift ranging from a several hundreds of millielectronvolts to a few electronvolts, broadening of various plasmon response, together with selective enhancement and significant variations in their intensity are detected. This study highlights the presence of a heterointerface and identifies defects as physical tuning pathways to modulate the plasmonic response over a broad spectral range. Finally, the experimental observations are compared qualitatively and validated with numerical simulations using the electron-driven discrete dipole approximation. Low-dimensional Bi 2 Te 3 /Sb 2 Te 3 as a less explored plasmonic system holds great promises as emerging platform for integrated plasmonics. Furthermore, introducing controlled structural defects can open the door for nanoengineering of plasmonic properties in such systems.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Optomechanical ring resonator for efficient microwave-optical frequency conversion

Phonons traveling in solid-state devices are emerging as a universal excitation for coupling different physical systems. Phonons at microwave frequencies have a similar wavelength to optical photons in solids, enabling optomechanical microwave-optical transduction of classical and quantum signals. It becomes conceivable to build optomechanical integrated circuits (OMIC) that guide both photons and phonons and interconnect photonic and phononic devices. Here, we demonstrate an OMIC including an optomechanical ring resonator (OMR), where co-resonant infrared photons and GHz phonons induce significantly enhanced interconversion. The platform is hybrid, using wide bandgap semiconductor gallium phosphide (GaP) for waveguiding and piezoelectric zinc oxide (ZnO) for phonon generation. The OMR features photonic and phononic quality factors of >1 × 10 5 and 3.2 × 10 3 , respectively. The optomechanical interconversion between photonic modes achieved an internal conversion efficiency $η_i$ = (2.1 ± 0.1)% and a total device efficiency $η_{tot}$ = 0.57 x 10 -6 at a low acoustic pump power of 1.6 mW. The efficient conversion in OMICs enables microwave-optical transduction for quantum information and microwave photonics applications.

42 ENGINEERING↗

DOE OSTI2022

Vibrational fingerprints of ferroelectric HfO 2

Hafnia (HfO 2 ) is a promising material for emerging chip applications due to its high-κ dielectric behavior, suitability for negative capacitance heterostructures, scalable ferroelectricity, and silicon compatibility. The lattice dynamics along with phononic properties such as thermal conductivity, contraction, and heat capacity are under-explored, primarily due to the absence of high quality single crystals. Herein, we report the vibrational properties of a series of HfO 2 crystals stabilized with yttrium (chemical formula HfO2: xY, where x = 20, 12, 11, 8, and 0%) and compare our findings with a symmetry analysis and lattice dynamics calculations. We untangle the effects of Y by testing our calculations against the measured Raman and infrared spectra of the cubic, antipolar orthorhombic, and monoclinic phases and then proceed to reveal the signature modes of polar orthorhombic hafnia. This work provides a spectroscopic fingerprint for several different phases of HfO 2 and paves the way for an analysis of mode contributions to high-κ dielectric and ferroelectric properties for chip technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Effect of static local distortions vs. dynamic motions on the stability and band gaps of cubic oxide and halide perovskites

Ternary ABX 3 perovskites made of corner-sharing BX 6 octahedra have long featured prominently in solid-state chemistry and condensed matter physics. Still, the joint understanding of their two main subgroups—halides and oxides—has not been fully developed. Indeed, unlike the case in simpler compounds having a single, robust repeated motif (“monomorphous”), certain cubic perovskites can manifest a non-thermal (= intrinsic) distribution of local motifs (“polymorphous networks”). Such static deformations can include positional degrees of freedom (e.g., atomic displacements and octahedral tilting) or magnetic moment degrees of freedom in paramagnets. Unlike thermal motion, such static distortions do not time-average to zero, being an expression of the intrinsic symmetry breaking preference of the chemical bonding. Here, the present study compares electronic structure features of oxide and halide perovskites starting from the static polymorphous distribution of motifs described by Density Functional Theory (DFT) minimization of the internal energy, continuing to finite temperature thermal disorder modeled via finite temperature DFT molecular dynamics. We find that (i) different oxide vs. halide ABX 3 compounds adopt different energy-lowering symmetry-breaking modes. The calculated pair distribution function (PDF) of SrTiO 3 from the first-principles agrees with recently measured PDF. (ii) In both oxides and halides, such static distortions lead to band gap blueshifts with respect to undistorted cubic Pm-3m structure. (iii) For oxide perovskites, high-temperature molecular dynamics simulations initiated from the statically distorted polymorphous structures reveal that the thermally-induced distortions can lead to a band gap redshift. (iv) In contrast, for cubic halide perovskite CsPbI 3 , both the intrinsic distortions and the thermal distortions contribute in tandem to band gap blueshift, the former, intrinsic effect being dominant. (v) In the oxide SrTiO 3 and CaTiO 3 (but not in halide) perovskites, octahedral tilting leads to the emergence of a distinct Γ–Γ direct band gap component as a secondary valley minimum to the well-known indirect R–Γ gap. Understanding such intrinsic vs. thermal effects on oxide vs. halide perovskites holds the potential for designing target electronic properties.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A microscopic Kondo lattice model for the heavy fermion antiferromagnet CeIn 3

Electrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example, in which magnetic interactions arise from the opposing limits of localized and itinerant electrons. This remarkable duality is intimately related to the emergence of a plethora of novel quantum matter states such as unconventional superconductivity, electronic-nematic states, hidden order and most recently topological states of matter such as topological Kondo insulators and Kondo semimetals and putative chiral superconductors. The outstanding challenge is that the archetypal Kondo lattice model that captures the underlying electronic dichotomy is notoriously difficult to solve for real materials. Here we show, using the prototypical strongly-correlated antiferromagnet CeIn 3 , that a multi-orbital periodic Anderson model embedded with input from ab initio bandstructure calculations can be reduced to a simple Kondo-Heisenberg model, which captures the magnetic interactions quantitatively. We validate this tractable Hamiltonian via high-resolution neutron spectroscopy that reproduces accurately the magnetic soft modes in CeIn 3 , which are believed to mediate unconventional superconductivity. Our study paves the way for a quantitative understanding of metallic quantum states such as unconventional superconductivity.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Out-of-time-order correlators bridge classical transport and quantum dynamics

The out-of-time-order correlator (OTOC) has emerged as a central tool for quantifying decoherence across wide-ranging physical platforms. Here, we demonstrate its direct measurement in a classical ensemble using nuclear magnetic resonance with a modulated gradient spin echo sequence and extend the method into a multidimensional correlation to track exchange phenomena. Position is encoded through magnetic field gradients and momentum through the velocity autocorrelation function, enabling experimental access to OTOCs for proton motion confined within the self-similar lattice of the metal–organic framework MOF-808. Here, water confined to specified geometries within the MOF pores gives rise to spatially distinct diffusive eigenmodes with characteristic relative entropies. We demonstrate that periodic radio frequency driving combined with gradient modulation yields entropy evolution through the selection of distinct diffusion modes. Frequency-resolved diffusion spectra connect these entropy dynamics to classical heat exchange laws, revealing how operational features of quantum systems are mirrored in confined, macroscopic spin ensembles.

Fricke, Sophia N. [University of California, Berke↗

DOE OSTI2021

Dynamical origins of weakly coupled relaxor behavior in Sn-doped (Ba,Ca)TiO 3 -BiScO 3

The peculiar characteristics of relaxors, viz., a frequency-dependent dielectric permittivity peak and good functional properties (dielectric, electromechanical, electrocaloric, etc.), are attributed to nanoscale regions with correlated dipoles, or polar nanoregions (PNRs). However, the exact nature of PNRs and their contribution to relaxor behavior remains debatable. In recent years, solid solutions of BaTiO3-BiMeO3 (where Me is a metal), have emerged as an interesting system with characteristics in between that of relaxors and dipole glasses. Here, we have examined the atomistic origins of weakly coupled relaxor behavior, specifically with regard to formation of PNRs, in Sn-doped (1-x)(Ba,Ca)TiO 3-x BiScO 3 using macroscopic polarization and neutron dynamic pair distribution function measurements. We show that the short-range atomic correlations observed within the PNRs dynamically fluctuate with frequencies of the order of THz. Furthermore the composition-dependent dielectric and polarization behaviors are critically influenced by the relative stability of the atomic correlations near ~1 THz, while the instantaneous atomic correlations are largely independent of x. The current results are discussed based on a model of intrinsic local modes distributed in a dielectrically soft matrix.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

Gravitational-wave signature of core-collapse supernovae

Here, we calculate the gravitational-wave (GW) signatures of detailed 3D core-collapse supernova sim ulations spanning a range of massive stars. Most of the simulations are carried out to times late enough to capture more than 95% of the total GW emission. We find that the f/g-mode and f-mode of proto-neutron star oscillations carry away most of the GW power. The f-mode frequency inex orably rises as the proto-neutron star (PNS) core shrinks. We demonstrate that the GW emission is excited mostly by accretion plumes onto the PNS that energize modal oscillations and also high frequency (“haze”) emission correlated with the phase of violent accretion. The duration of the major phase of emission varies with exploding progenitor and there is a strong correlation between the total GW energy radiated and the compactness of the progenitor. Moreover, the total GW emissions vary by as much as three orders of magnitude from star to star. For black-hole formation, the GW signal tapers off slowly and does not manifest the haze seen for the exploding models. For such failed models, we also witness the emergence of a spiral shock motion that modulates the GW emission at a frequency near ~100 Hertz that slowly increases as the stalled shock sinks. We find significant angular anisotropy of both the high- and low-frequency (memory) GW emissions, though the latter have very little power.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2004

IPv6 Test Bed for Testing Aeronautical Applications

Aviation industries in United States and in Europe are undergoing a major paradigm shift in the introduction of new network technologies. In the US, NASA is also actively investigating the feasibility of IPv6 based networks for the aviation needs of the United States. In Europe, the Eurocontrol lead, Internet Protocol for Aviation Exchange (iPAX) Working Group is actively investigating the various ways of migrating the aviation authorities backbone infrastructure from X.25 based networks to an IPv6 based network. For the last 15 years, the global aviation community has pursued the development and implementation of an industry-specific set of communications standards known as the Aeronautical Telecommunications Network (ATN). These standards are now beginning to affect the emerging military Global Air Traffic Management (GATM) community as well as the commercial air transport community. Efforts are continuing to gain a full understanding of the differences and similarities between ATN and Internet architectures as related to Communications, Navigation, and Surveillance (CNS) infrastructure choices. This research paper describes the implementation of the IPv6 test bed at NASA GRC, and Computer Networks & Software, Inc. and these two test beds are interface to Eurocontrol over the IPv4 Internet. This research work looks into the possibility of providing QoS performance for Aviation application in an IPv6 network as is provided in an ATN based network. The test bed consists of three autonomous systems. The autonomous system represents CNS domain, NASA domain and a EUROCONTROL domain. The primary mode of connection between CNS IPv6 testbed and NASA and EUROCONTROL IPv6 testbed is initially a set of IPv6 over IPv4 tunnels. The aviation application under test (CPDLC) consists of two processes running on different IPv6 enabled machines.

Wilkins, Ryan↗

NASA NTRS2011

Launch Pad Escape System Design (Human Spaceflight)

A launch pad escape system for human spaceflight is one of those things that everyone hopes they will never need but is critical for every manned space program. Since men were first put into space in the early 1960s, the need for such an Emergency Escape System (EES) has become apparent. The National Aeronautics and Space Administration (NASA) has made use of various types of these EESs over the past 50 years. Early programs, like Mercury and Gemini, did not have an official launch pad escape system. Rather, they relied on a Launch Escape System (LES) of a separate solid rocket motor attached to the manned capsule that could pull the astronauts to safety in the event of an emergency. This could only occur after hatch closure at the launch pad or during the first stage of flight. A version of a LES, now called a Launch Abort System (LAS) is still used today for all manned capsule type launch vehicles. However, this system is very limited in that it can only be used after hatch closure and it is for flight crew only. In addition, the forces necessary for the LES/LAS to get the capsule away from a rocket during the first stage of flight are quite high and can cause injury to the crew. These shortcomings led to the development of a ground based EES for the flight crew and ground support personnel as well. This way, a much less dangerous mode of egress is available for any flight or ground personnel up to a few seconds before launch. The early EESs were fairly simple, gravity-powered systems to use when thing's go bad. And things can go bad very quickly and catastrophically when dealing with a flight vehicle fueled with millions of pounds of hazardous propellant. With this in mind, early EES designers saw such a passive/unpowered system as a must for last minute escapes. This and other design requirements had to be derived for an EES, and this section will take a look at the safety design requirements had to be derived for an EES, and this section will take a look at the safety design aspects for a launch pad escape system.

Maloney, Kelli↗

NASA NTRS2016

We Can't Count on Repairing All Failures Going to Mars

Reliability analysis often assumes that a complex system can be kept operating indefinitely with scheduled maintenance and emergency repair using a stock of spare parts, as long as the spare parts are not depleted. This assumption seems justified for well-tested, widely used, long operational systems with a multigenerational history of failure, redesign, and reliability growth. It seems doubtful that newer, relatively untried, high technology space systems can always be repaired. We cannot assume space systems will have a low rate of random failures that can all be repaired with a few identical spares. New untried systems usually have a high initial failure rate, called infant mortality, due to errors in requirements, design, parts, materials, and operations planning. These problems can cause groups of related failures called Common Cause Failures (CCFs). The practical definition of a CCF is any failure mode that cannot be cured using identical redundant systems or spare parts. Systems with CCFs may fail repeatedly for the same reason. Can a life support system be kept operating on the way to Mars using only redundant systems and spare parts? The failure history of International Space Station (ISS) life support systems suggests that CCFs are likely to occur and will probably require design changes rather than being reparable with spare parts.

Mars↗