Lagrangian-based simulations of hypervelocity impact experiments on Mars regolith proxy
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Impacts, numerical modeling, seismic↗
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Size distribution of polycyclic aromatic hydrocarbons in space: an old new light on the 11.2/3.3 μm intensity ratio
The intensity ratio of the 11.2/3.3 μm emission bands is considered to be a reliable tracer of the size distribution of polycyclic aromatic hydrocarbons (PAHs) in the interstellar medium (ISM). This paper describes the validation of the calculated intrinsic infrared (IR) spectra of PAHs that underlie the interpretation of the observed ratio. The comparison of harmonic calculations from the NASA Ames PAH IR spectroscopic database to gas-phase experimental absorption IR spectra reveals a consistent underestimation of the 11.2/3.3 μm intensity ratio by 34%. IR spectra based on higher level anharmonic calculations, on the other hand, are in very good agreement with the experiments. While there are indications that the 11.2/3.3 μm ratio increases systematically for PAHs in the relevant size range when using a larger basis set, it is unfortunately not yet possible to reliably calculate anharmonic spectra for large PAHs. Based on these considerations, we have adjusted the intrinsic ratio of these modes and incorporated this in an interstellar PAH emission model. This corrected model implies that typical PAH sizes in reflection nebulae such as NGC 7023 – previously inferred to be in the range of 50 to 70 carbon atoms per PAH are actually in the range of 40 to 55 carbon atoms. The higher limit of this range is close to the size of the C 60 fullerene (also detected in reflection nebulae), which would be in line with the hypothesis that, under appropriate conditions, large PAHs are converted into the more stable fullerenes in the ISM.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Comparative analysis of internal energy excitation and dissociation of nitrogen predicted by independently developed ab initio potential energy surfaces
In this article we present a comparative atomic level study analyzing the vibrational excitation and dissociation of molecular nitrogen due to N 2 ( 1 Σ g + )+N( 4 S u ) and N 2 ( 1 Σ g + )+N 2 ( 1 Σ g + ) interactions governed by independently developed potential energy surfaces at the University of Minnesota and NASA Ames Research Center. Further, vibrational excitation was studied for N 2 +N 2 interactions from T=10000 to 25000 K and for N 2 +N from T=5000 to 30000 K. Nonequilibrium dissociation is studied from T=10000 to 30000 K under the quasi-steady-state condition for N 2 +N 2 and N 2 +N interactions. Finally, an inviscid Mach 20 dissociating nitrogen flow over a cylinder with a Knudsen number of 0.015 is carried out to study the impact of molecular interactions predicted by independently developed potential energy surfaces on a canonical hypersonic flow.
74 ATOMIC AND MOLECULAR PHYSICS↗
COVID-19 Exposure Assessment Tool (CEAT): Exposure quantification based on ventilation, infection prevalence, group characteristics, and behavior
The coronavirus disease 2019 (COVID-19) Exposure Assessment Tool (CEAT) allows users to compare respiratory relative risk to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) for various scenarios, providing understanding of how combinations of protective measures affect risk. CEAT incorporates mechanistic, stochastic, and epidemiological factors including the (i) emission rate of virus, (ii) viral aerosol degradation and removal, (iii) duration of activity/exposure, (iv) inhalation rates, (v) ventilation rates (indoors/outdoors), (vi) volume of indoor space, (vii) filtration, (viii) mask use and effectiveness, (ix) distance between people (taking into account both near-field and far-field effects of proximity), (x) group size, (xi) current infection rates by variant, (xii) prevalence of infection and immunity in the community, (xiii) vaccination rates, and (xiv) implementation of COVID-19 testing procedures. CEAT applied to published studies of COVID-19 transmission events demonstrates the model’s accuracy. We also show how health and safety professionals at NASA Ames Research Center used CEAT to manage potential risks posed by SARS-CoV-2 exposures.
60 APPLIED LIFE SCIENCES↗
A Systems Biology Approach to Energy Flow in H 2 Producing Microbial Communities: Microbial Mats
This report describes the results of work conducted at NASA Ames Research Center, in collaboration with investigators at Lawrence Livermore National Laboratory, during the time period 12/15/2014 to 12/15/2017. The work was an extension of a collaboration with LLNL that began in 2008. Work this reporting period focused primarily on tasks related to microbial mats from both the Elkhorn Slough and Baja California field sites, including the analysis and publication of data produced prior to 12/15/2014. During this reporting period, in addition to the microbial mat work, we also conducted a series of experiments with a particular algal-bacterial association (C. sorokiniana and A. brasilense). A number of aspects of this well-characterized algal-bacterial association enabled us not only to further our understanding of interactions between these particular organisms, but to apply that knowledge and techniques to our collection of microorganisms isolated from microbial mats. Microbial mat experiments focused both on intact mat communities and on cultures of organisms isolated from the mats (the Microbial Mat Living Library). In a series of co-culture experiments, we documented both positive and negative interactions amongst heterotrophic and autotrophic isolates of microbial mat microorganisms. One particularly important and novel mat cyanobacterium (ESFC-1) was studied in detail. We developed techniques to pursue an investigation of functional redundancy (the idea that closely related organisms perform identical roles in a community) in cyanobacterial autotrophs in the Elkhorn Slough microbial mat. In those experiments, we documented numerous instances of increases in growth rate between co-cultures of two organisms (relative to their growth rate in isolation) performing what would seem to be identical functional roles. Simplified microbial mat communities consisting of organisms from the Microbial Mat Living Library were constructed and studied in laboratory experiments. The “constructed mats” were grown in standard laboratory glassware and plasticware, but cultures were also combined with artificial materials in an effort to re-create the three-dimensional structure of naturally occurring microbial mats. These constructed mats re-created a number of functions attributable to natural microbial mats (N-fixation, H2-production) and simplified their study using molecular ecological techniques due to the smaller number of microbial “species” present. Cyanobacteria which migrated in response to vertical variations in light intensity (irradiance) obtained characteristic positions in constructed mats that were similar to their positions in natural mats. A detailed investigation of nitrogen cycling in both the Baja California and Elkhorn Slough microbial mats was initiated during this reporting period. The nitrogen cycle in the microbial mats has not been studied in depth, despite the fact that nitrogen usually limits growth in marine environments. The organisms conducting nitrogen cycling in both microbial mats were studied using the genomes available from earlier work on these mats, as well as with a targeted approach using molecular ecological methods developed here. Quantitative measurements of rates of nitrogen transformations were made using stable isotopically labeled nitrogen. The processes quantified and examined using molecular ecological methods included: nitrogen fixation, ammonification, ammonium and nitrate assimilation, denitrification, anaerobic oxidation of ammonium, and dissimilatory nitrate reduction to ammonium. In a series of experiments designed to examine a potential application for microbial mats, we demonstrated that both Elkhorn Slough and Baja California microbial mats were very effective in removing large quantities of both nitrate and ammonium from waste streams containing these compounds at levels where they would be considered to be pollutants. Considerable effort was expended during this reporting period to analyze, and prepare for publication, metagenomes and metatranscriptomes collected from two experimental manipulations of microbial mats. The first, a diel study, was conducted in November 2011, while the second, an investigation of the effects of sulfate on community composition, was conducted during this reporting period. For the earlier study, reference-based and reference-free methods were used to assess microbial ecology and genetic partitioning in these complex microbial systems, and that work is available as a pre-print. Four metagenomes from the same experiment were published. In the second, longer (nearly 200 day) manipulation, rRNA iTag libraries for cDNA and DNA were analyzed to determine the effects of sulfate concentration on microbial mat community composition over the course of the experiment. Work on the algal-bacterial association (Chlorella sorokiniana and Azospirillum brasilense) focused initially on demonstrating the transfer of carbon and nitrogen between the partners, using stable isotopic labeling and the LLNL NanoSIMS. Subsequently, the potential role of diazotrophy (nitrogen fixation) by the bacterial partner in supporting the growth of the association was assessed in a series of experiments. It appears to be the case that, although the bacterial partner demonstrably increases the fitness of the algae under nitrogen limitation, and cells of C. sorokiniana receive nitrogen originally fixed from atmospheric nitrogen by A. brasilense, the amount of nitrogen obtained by diazotrophy is too small to explain the increase in fitness.
08 HYDROGEN↗
Materials response under hypersonic flow conditions probed by multi-modal diagnostics in a benchtop wind tunnel
In this LDRD “Materials response under hypersonic flow conditions probed by multi-modal diagnostics in a benchtop wind tunnel” a peer-reviewed lab-scale hypersonic wind tunnel (WT) was planned to be assembled in-house, along with time and space resolved and related flow and materials diagnostics to derive high quality measurements and the science that is able to inform the development of our modeling and simulation codes for the hypersonic regime. The baseline capability to achieve Mach 3 flow was scheduled to be completed in Q4 2020, in the first year of the LDRD. However due to the COVID-19 delays and travel restrictions starting in March, 2020 this task could not be completed to carry out the materials response studies in-house, or those planned with external partners that were engaged during this LDRD (NASA Langley, NASA Ames, Texas A&M university, and Virginia Tech). Still, using our hypersonic computational fluid simulation codes, many of the hypersonic components have been designed (for Mach 3, 5, and 7) and procured (or in procurement phase), and a new dedicated hypersonic laboratory was facilitized, 2 WT test sections have been manufactured, and a Mach 3 nozzle was 3D printed for prototyping. In parallel, unique materials diagnostics have been tested under static conditions and fully specified and awaiting validation in our partner facilities. Due to the new hypersonic initiative announced in January, 2020 we proposed a related scope increase in hypersonics research requiring energy interactions and new diagnostics well beyond what could be supported by an LDRD ER. A decision was made to end the current LDRD ER and formally propose a new LDRD SI that leverages the current effort, which will be starting in FY21. As a result of the uniqueness of this LDRD work, our early efforts have been encouraged and well received in the hypersonic research community, and is now part of multiple unsolicited internal and external project proposals expected to be funded in the coming years, which is encouraging to make LLNL a leader in experimentally probing extreme physics of local energetics critical to hypersonics.
36 MATERIALS SCIENCE↗
Perception Testing in Fog for Autonomous Flight
As the path towards Urban Air Mobility (UAM) continues to take shape, there are outstanding technical challenges to achieving safe and effective air transportation operations under this new paradigm. To inform and guide technology development for UAM, NASA is investigating the current state-of-the-art in key technology areas including traffic management, detect-and-avoid, and autonomy. In support of this effort, a new perception testbed was developed at NASA Ames Research Center to collect data from an array of sensing systems representative of those that could be found on a future UAM vehicle. This testbed, featuring a Light-Detection-and-Ranging (LIDAR) instrument, a long-wave infrared sensor, and a visible spectrum camera was deployed for a multiday test campaign in the Fog Chamber at Sandia National Laboratories (SNL), in Albuquerque, New Mexico. During the test campaign, fog conditions were created for tests with targets including a human, a resolution chart, and a small unmanned aerial vehicle (sUAV). Here, this paper describes in detail, the developed perception testbed, the experimental setup in the fog chamber, the resulting data, and presents an initial result from analysis of the data with the evaluation of methods to increase contrast through filtering techniques.
aeronautics↗
Qudit Designs and Where to Find Them
Unitary t-designs are some of the most versatile tools in quantum information theory. Their applications range from randomized benchmarking and shadow tomography, to more fundamental ones such as emulating quantum chaos and establishing exponential separations between classical and quantum query complexity. While unitary designs originating from a group structure, such as the Clifford group, have proven to be incredibly useful for qubit systems, unfortunately, this is no longer true for qudits. In fact, the classification of finite-group representations rules out the existence of unitary 2-designs for arbitrary qudit dimensions. This severely limits the applicability of standard quantum information primitives when it comes to qudit systems. We overcome these limitations with a three-fold contribution. First, we introduce a general technique to construct families of weighted state t-designs in arbitrary qudit dimensions. These weighted state-designs generalize classical shadow tomography protocol from qubits to qudits. Second, we introduce a Clifford character RB that allows us to benchmark the qudit Clifford group in any dimension, including non-prime-power dimensions. And third, we establish bounds on the quantum circuit complexity of generating approximate unitary-designs from native gates in existing quantum hardware such as high-spin and cavity-QED qudits. Our work further highlights the analogy between spin and optical coherent states by proving that spin-GKP codewords form a state 2-design while spin coherent states do not; in direct analogy with the optical case. This work is structured as a pedagogical and self-contained introduction to unitary designs and their applications to qudit systems.
Anand, Namit [NASA, Ames; Unlisted, US] (ORCID:000↗
Subsets of geostationary satellite data over international observing network sites for studying the diurnal dynamics of energy, carbon, and water cycles
The latest generation of geostationary satellites provide Earth observations similar to widely used polar-orbiting sensors but at intervals as frequently as every 5–10 min, making them ideal for studying the diurnal dynamics of land–atmosphere interactions. The NASA Earth Exchange (NEX) group created the GeoNEX datasets by collating data from several geostationary platforms, including GOES-16/17/18, Himawari-8/9, and GK-2A, and placing them on a common grid to facilitate use by the Earth science community. Here, we document the GeoNEX Coincident Ground Observations (GeCGO) dataset for terrestrial ecosystem studies and provide examples for its use. Currently, GeCGO provides GOES-16 Advanced Baseline Imager (ABI) data over a 10 km × 10 km area surrounding 1586 network sites across the Americas. GeCGO makes it easy to compare the time series of geostationary data with the diurnal ground observations, including carbon/water fluxes and aerosol optical depth, and is extensible to other regions. We also develop GeoNEXTools to facilitate analyses that require both GeoNEX data and other NASA satellite data. The objectives of this paper are to introduce GeCGO and GeoNEXTools and demonstrate their applications. First, we describe the details of GeCGO and GeoNEXTools. Second, we explain how GeCGO can be integrated with other satellite data. Finally, we showcase comparisons between GeCGO and observations from three ground-based networks. GeCGO is available at https://doi.org/10.25966/y5pe-xp41 (Hashimoto et al., 2025).
Hashimoto, Hirofumi [NASA Ames Research Center (AR↗
Syncopated dynamical decoupling to suppress crosstalk in quantum circuits
Theoretically understanding and experimentally characterizing and modifying the underlying Hamiltonian of a quantum system is of utmost importance in achieving high-fidelity quantum gates for quantum computing. Here, in this work, we explore the use of dynamical decoupling (DD) in characterizing and suppressing undesired two-qubit couplings as well as the underlying single-qubit decoherence, both significant hurdles to achieving precise quantum control and realizing quantum computing on many hardware prototypes. Through discrete search of DD sequences, we identify sequences that protect against decoherence and selectively target unwanted two-qubit interactions of general form. On a transmon-qubit-based superconducting quantum device, we identify separate white and 1/𝑓 noise components underlying the single-qubit decoherence and a static ZZ coupling between pairs of qubits. A family of syncopated DD sequences is found and their efficiency is demonstrated in two-qubit benchmarking experiments. The syncopated decoupling technique significantly boosts performance in a realistic algorithmic quantum circuit.
97 MATHEMATICS AND COMPUTING↗
Efficient Floating-Point Arithmetic on Fault-Tolerant Quantum Computers
We propose a novel floating-point encoding scheme that builds on prior work involving fixed-point encodings. We encode floating-point numbers using Two's Complement fixed-point mantissas and Two's Complement integral exponents. We used our proposed approach to develop quantum algorithms for fundamental arithmetic operations, such as bit-shifting, reciprocation, multiplication, and addition. We prototyped and investigated the performance of the floating-point encoding scheme on quantum computer simulations by performing reciprocation on randomly drawn inputs and by solving first-order ordinary differential equations, while varying the number of qubits in the encoding. We observed rapid convergence to the exact solutions as we increased the number of qubits and a significant reduction in the number of ancilla qubits required for reciprocation when compared with similar approaches.
Serrallés, José Cruz [Weill Cornell Med. Coll.]↗
Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories
We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.
Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗
Effect of Propagating Dopant Reactivity on Lattice Oxygen Loss in LLZO Solid Electrolyte Contacted with Lithium Metal
Lithium lanthanum zirconium oxide (LLZO) is widely known as the most stable solid electrolyte against lithium metal electrodes. This thermodynamic stability can be lost by the presence of dopants which are required to stabilize the cubic phase of LLZO and can be reduced by lithium metal. However, the role of oxygen in such reactions is taken for granted. In this work, the reduction of Nb-substituted LLZO (Nb-LLZO) is explored by Li metal and shows that interfacial reactions propagate and lead to the decomposition with substantial Nb 5+ reduction deep into the bulk electrolyte. Scanning Transmission Electron Microscopy with Energy Dispersive X-ray Spectroscopy and thermogravimetric analyses show much of the reduction is due to oxygen vacancies formed, leading to increased electronic conductivity mapped with conductive Atomic Force Microscopy. Density functional theory calculations indicate oxygen release is favored by increased excess lithiation of Nb-LLZO. Electrochemical impedance of polycrystalline Nb-LLZO shows the continuous evolution of ionically resistive interphases near the lithium metal interface with Nb-LLZO while single crystals show little reactivity at room temperature and self-limiting reduction at 60°C. This work underlines the role of grain boundaries in propagating destructive solid electrolyte reactions and highlights previously unseen mechanisms involving lattice oxygen in LLZO.
Li metal, solid-state electrolytes↗
Surrogate optimization of variational quantum circuits
Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of quantum advantage and high resource estimates, especially due to the need for optimization in the presence of noise. Finding algorithms and methods to improve convergence is important to accelerate the capabilities of near-term hardware for VQE or more broad applications of hybrid methods in which optimization is required. To this goal, we look to use modern approaches developed in circuit simulations and stochastic classical optimization, which can be combined to form a surrogate optimization approach to quantum circuits. Using an approximate (classical CPU/GPU) state vector simulator as a surrogate model, we efficiently calculate an approximate Hessian, passed as an input for a quantum processing unit or exact circuit simulator. This method will lend itself well to parallelization across quantum processing units. We demonstrate the capabilities of such an approach with and without sampling noise and a proof-of-principle demonstration on a quantum processing unit utilizing 40 qubits.
Gustafson, Erik J. [RIACS, Mtn. View] (ORCID:00000↗
Carbon Fiber Oxidation in 4D
The oxidation of carbon fibers at high temperatures is the primary degradation process in the thermal protection system of many hypersonic flight vehicles. Predicting the rate and the extent of oxidation is critical to ensure a safe and effective design. An oversized thermal protection system adds unnecessary mass, while an under-designed one risks system failure and mission loss. Resolving high-temperature material degradation due to oxidation has been a long-standing challenge in designing for re-entry flight environments. Using time-resolved in situ X-ray microtomography, the oxidation of carbon fibers at high temperatures is directly imaged, resolving the two limiting degradation regimes: diffusion- and reaction-limited. The ability to resolve material degradation in time at the sub-micron scale sheds light on the ablation phenomenon and enables predictions of material constitutive properties evolving in time, with profound implications on the ability to model the aerothermal response of heat shield materials in hostile environments.
ablation↗
Atmospheric processing and aerosol aging responsible for observed increase in absorptivity of long-range-transported smoke over the southeast Atlantic
Biomass burning aerosol (BBA) from agricultural fires in southern Africa contributes about one-third of the global carbonaceous aerosol load. These particles have strong radiative effects in the southeast Atlantic (SEA), which depend in part on the radiative contrast between the aerosol layer in the free troposphere (FT) and the underlying cloud layer. However, there is large disagreement in model estimates of aerosol-driven climate forcing due to uncertainties in the vertical distribution, optical properties, and life cycle of these particles. This study applies a novel method combining remote sensing observations with regional model outputs to investigate the aging of the BBA and its impact on the optical properties during transatlantic transport from emission sources in Africa to the SEA. Results show distinct variations in extinction Ångström exponent (EAE) and single-scattering albedo (SSA) as aerosols age. Near the source, fresh aerosols are characterized by low mean SSA (0.84) and high EAE (1.85), indicating smaller, highly absorbing particles. By isolating marine contributions from the total column during BBA transport across the SEA, our analysis reveals an initial decrease in BBA absorptivity, with mean FT SSA of 0.87 after 6–7 d, followed by increased absorptivity with mean FT SSA of 0.84 after 10 d, suggesting enhanced absorption due to chemical aging. These findings indicate that BBA becomes more absorbing during extended transport across the SEA, with implications for reducing model uncertainties. Our remote-sensing-based results agree well with previous in situ studies and offer new insights into aerosol–radiation interactions and the energy balance over the SEA.
54 ENVIRONMENTAL SCIENCES↗
NASA analysis of space mission options for the 2025 planetary defense conference hypothetical asteroid impact threat scenario
The 2025 Planetary Defense Conference (PDC) hypothetical asteroid impact threat exercise is being conducted in coordination with the United Nations-endorsed Space Mission Planning Advisory Group (SMPAG), exercising SMPAG's processes for assessing space mission options and communicating to decision makers. Here, in this paper, we describe the work performed by our NASA-led team and present the results we contributed to the SMPAG effort for the exercise. Our NASA-led team assessed mission options for asteroid reconnaissance (flyby and rendezvous), deflection, and robust disruption using several viable techniques: kinetic impactors, ion beam deflection, and nuclear explosive devices. Our simulations and analyses considered how much change-in-velocity an asteroid can tolerate before fragmentation onset, and we worked towards establishing requirements for robustly disrupting an asteroid. Heuristics informed by the simulation results are incorporated into optimization of deflection and disruption mission campaign options. Finally, we make some observations about useful generalizations from these results with potential applicability to any planetary defense scenario.
Asteroid deflection↗
Quantum Sensing using Geometrical Phase in Qubit-Oscillator Systems
We present a quantum sensing protocol for coupled qubit-oscillator systems that surpasses the standard quantum limit (SQL) by exploiting a geometrical phase. The signal is encoded in the geometrical phase that is proportional to the area enclosed in oscillator phase space. This area is amplified through squeezing, enabling sensitivities beyond the SQL. Our method is independent of oscillator's initial state, amenable to sensing with high-temperature or logical error-corrected states. The protocol shows robustness to qubit Markovian noise and preserves its state-independence, underscoring its practicality for next-generation quantum metrology. We demonstrate application to force sensing beyond the SQL in longitudinally coupled systems, and to high-precision measurements of couplings and pulse calibration surpassing SQL in dispersively coupled circuit quantum electrodynamics (cQED) architectures.
Suri, Nishchay [LBNL, Berkeley]↗