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At least 793 records · Page 44

Real-time processing of radar return on a parallel computer

NASA is working with the FAA to demonstrate the feasibility of pulse Doppler radar as a candidate airborne sensor to detect low altitude windshears. The need to provide the pilot with timely information about possible hazards has motivated a demand for real-time processing of a radar return. Investigated here is parallel processing as a means of accommodating the high data rates required. A PC based parallel computer, called the transputer, is used to investigate issues in real time concurrent processing of radar signals. A transputer network is made up of an array of single instruction stream processors that can be networked in a variety of ways. They are easily reconfigured and software development is largely independent of the particular network topology. The performance of the transputer is evaluated in light of the computational requirements. A number of algorithms have been implemented on the transputers in OCCAM, a language specially designed for parallel processing. These include signal processing algorithms such as the Fast Fourier Transform (FFT), pulse-pair, and autoregressive modelling, as well as routing software to support concurrency. The most computationally intensive task is estimating the spectrum. Two approaches have been taken on this problem, the first and most conventional of which is to use the FFT. By using table look-ups for the basis function and other optimizing techniques, an algorithm has been developed that is sufficient for real time. The other approach is to model the signal as an autoregressive process and estimate the spectrum based on the model coefficients. This technique is attractive because it does not suffer from the spectral leakage problem inherent in the FFT. Benchmark tests indicate that autoregressive modeling is feasible in real time.

Aalfs, David D.↗

Next Generation Aircraft Design Considering Airline Operations and Economics

Traditional approaches to design and optimization of a new system often use a system-centric objective and do not take into consideration how the operator will use this new system alongside other existing systems. When the new system design is incorporated into the broader group of systems, the performance of the operator-level objective can be sub-optimal due to the unmodeled interaction between the new system and the other systems. Among the few available references that describe attempts to address this disconnect, most follow an MDO (Multidisciplinary Design Optimization)-motivated sequential decomposition approach of first designing a very good system and then providing this system to the operator who, decides the best way to use this new system along with the existing systems. This paper addresses this issue by including aircraft design, airline operations, and revenue management "subspaces"; and presents an approach that could simultaneously solve these subspaces posed as a monolithic optimization problem rather than the traditional approach described above. The monolithic approach makes the problem an expensive Mixed Integer Non-Linear Programming problem, which are extremely difficult to solve. To address the problem, we use a recently developed optimization framework that simultaneously solves the subspaces to capture the "synergy" in the problem that the previous decomposition approaches did not exploit, addresses mixed-integer/discrete type design variables in an efficient manner, and accounts for computationally expensive analysis tools. This approach solves an 11-route airline network problem consisting of 94 decision variables including 33 integer and 61 continuous type variables. Simultaneously solving the subspaces leads to significant improvement in the fleet-level objective of the airline when compared to the previously developed sequential subspace decomposition approach.

Roy, Satadru↗

Manipulating Surface Termination of Perovskite Manganate for Oxygen Activation

For ABO 3 perovskite oxides, one of the key issues limiting their utilization in heterogeneous catalysis is the dominant presence of catalytically inactive A-site cations at the surface. The engineering of B-site terminated perovskites is considered as an effective method to address this issue, especially when dealing with Mn/Co-based perovskite catalysts. However, to date, such a strategy has not been fully successful and remains a major challenge in the field. Herein, a Mn-terminated La 0.45 Sr 0.45 MnO 3 (B-LSM) is successfully synthesized via a one-pot hydrothermal method, in which low-valence Mn ions partially occupy the A site to form the active Mn-excess phase. Additionally, experimental results and theoretical calculations reveal that the presence of the surface Mn termination in B-LSM optimizes the hybrid orbitals of Mn 3d-O 2p and promotes the activation of surface lattice oxygen, where the pristine inert lattice O 2- is evolved into active and stable lattice O 2-x . Such structural optimization significantly reduces the activation energy barriers on going from O 2 ⁻ species to important intermediate O - species during O 2 activation. Moreover, this results in good stability and Pt-like activity for the B-LSM during CO oxidation. This work offers a new chemical route for the design of advanced perovskite-type oxides possessing novel functions.

36 MATERIALS SCIENCE↗

The geospatial and economic viability of CO 2 storage in hydrocarbon depleted fractured shale formations

Hydrocarbon depleted fractured shale (HDFS) formations could be attractive for geologic carbon dioxide (CO 2 ) storage. Shale formations may be able to leverage existing infrastructure, have larger capacities, and be more secure than saline aquifers. We compared regional storage capacities and integrated CO 2 capture, transport, and storage systems that use HDFS with those that use saline aquifers in a region of the United States with extensive shale development that overlies prospective saline aquifers. We estimated HDFS storage capacities with a production-based method and costs by adapting methods developed for saline aquifers and found that HDFS formations in this region might be able to store with less cost an estimated ~14× more CO 2 on average than saline aquifers at the same location. The potential for smaller Areas of Review and less investment in infrastructure accounted for up to 84% of the difference in estimated storage costs. We implemented an engineering-economic geospatial optimization model to determine and compare the viability of storage capacity for these two storage resources. Across the state-specific and regional scenarios we investigated, our results for this region suggest that integrated CCS systems using HDFS could be more centralized, require less pipelines, prioritize different routes for trunklines, and be 6.4–6.8% ($5-10/tCO 2 ) cheaper than systems using saline aquifers. In conclusion, overall, CO 2 storage in HDFS could be technically and economically attractive and may lower barriers to large scale CO 2 storage if they can be permitted.

42 ENGINEERING↗

Convergence and Quantum Advantage of Trotterized MERA for Strongly-Correlated Systems

Strongly-correlated quantum many-body systems are difficult to study and simulate classically. We recently proposed a variational quantum eigensolver (VQE) based on the multiscale entanglement renormalization ansatz (MERA) with tensors constrained to certain Trotter circuits. Here, we determine the scaling of computation costs for various critical spin chains which substantiates a polynomial quantum advantage in comparison to classical MERA simulations based on exact energy gradients or variational Monte Carlo. Algorithmic phase diagrams suggest an even greater separation for higher-dimensional systems. Hence, the Trotterized MERA VQE is a promising route for the efficient investigation of strongly-correlated quantum many-body systems on quantum computers. Furthermore, we show how the convergence can be substantially improved by building up the MERA layer by layer in the initialization stage and by scanning through the phase diagram during optimization. For the Trotter circuits being composed of single-qubit and two-qubit rotations, it is experimentally advantageous to have small rotation angles. We find that the average angle amplitude can be reduced considerably with negligible effect on the energy accuracy. Benchmark simulations suggest that the structure of the Trotter circuits for the TMERA tensors is not decisive; in particular, brick-wall circuits and parallel random-pair circuits yield very similar energy accuracies.

Miao, Qiang [Duke Quantum Center, Duke University,↗

Development of the L-1011 four-dimensional flight management system

The development of 4-D guidance and control algorithms for the L-1011 Flight Management System is described. Four-D Flight Management is a concept by which an aircraft's flight is optimized along the 3-D path within the constraints of today's ATC environment, while its arrival time is controlled to fit into the air traffic flow without incurring or causing delays. The methods developed herein were designed to be compatible with the time-based en route metering techniques that were recently developed by the Dallas/Fort Worth and Denver Air Route Traffic Control Centers. The ensuing development of the 4-D guidance algorithms, the necessary control laws and the operational procedures are discussed. Results of computer simulation evaluation of the guidance algorithms and control laws are presented, along with a description of the software development procedures utilized.

Lee, H. P.↗

NextGen Operations in a Simulated NY Area Airspace

A human-in-the-loop simulation conducted in the Airspace Operations Laboratory (AOL) at NASA Ames Research Center explored the feasibility of a Next Generation Air Transportation System (NextGen) solution to address airspace and airport capacity limitations in and around the New York metropolitan area. A week-long study explored the feasibility of a new Optimal Profile Descent (OPD) arrival into the airspace as well as a novel application of a Terminal Area Precision Scheduling and Spacing (TAPSS) enhancement to the Traffic Management Advisor (TMA) arrival scheduling tool to coordinate high volume arrival traffic to intersecting runways. In the simulation, four en route sector controllers and four terminal radar approach control (TRACON) controllers managed traffic inbound to Newark International Airport's primary runway, 22L, and its intersecting overflow runway, 11. TAPSS was used to generate independent arrival schedules for each runway and a traffic management coordinator participant adjusted the arrival schedule for each runway 11 aircraft to follow one of the 22L aircraft. TAPSS also provided controller-managed spacing tools (slot markers with speed advisories and timelines) to assist the TRACON controllers in managing the arrivals that were descending on OPDs. Results showed that the tools significantly decreased the occurrence of runway violations (potential go-arounds) when compared with a Baseline condition with no tools. Further, the combined use of the tools with the new OPD produced a peak arrival rate of over 65 aircraft per hour using instrument flight rules (IFR), exceeding the current maximum arrival rate at Newark Liberty International Airport (EWR) of 52 per hour under visual flight rules (VFR). Although the participants rated the workload as relatively low and acceptable both with and without the tools, they rated the tools as reducing their workload further. Safety and coordination were rated by most participants as acceptable in both conditions, although the TRACON Runway Coordinator (TRC) rated neither as acceptable in the Baseline condition. Regarding the role of the TRC, the two TRACON controllers handling the 11 arrivals indicated that the TRC was very much needed in the Baseline condition without tools, but not needed in the condition with tools. This indicates that the tools were providing much of the sequencing and spacing information that the TRC had supplied in the Baseline condition.

NextGen↗

High-quality II-VI films grown on amorphous substrates using tunable tetradymite templates

We demonstrate the growth of highly oriented CdSe and ZnTe films at ~300 °C on amorphous substrates such as glass and flexible polyimide using ultrathin tetradymite buffer layers composed of Sb x Bi 2-x Te 3 alloys lattice-matched to the film overgrowth. This leads to significant improvement of the crystallinity, roughness, grain size, and pit density of the II-VI overlayer along with enhancement of the optoelectronic properties. For example, photoluminescence emission is observed at ~1.74 eV for optimized CdSe films, the same as in a single crystal reference. An in-plane carrier diffusion length of ~500 nm is inferred from transient optical data. The use of tetradymite buffer layers to control II-VI compound deposition on non-crystalline substrates is a promising route for large area optoelectronic applications such as photovoltaic, light-emission, or infrared detector devices.

36 MATERIALS SCIENCE↗

Efficient Computation of Separation-Compliant Speed Advisories for Air Traffic Arriving in Terminal Airspace

A class of problems in air traffic management asks for a scheduling algorithm that supplies the air traffic services authority not only with a schedule of arrivals and departures, but also with speed advisories. Since advisories must be finite, a scheduling algorithm must ultimately produce a finite data set, hence must either start with a purely discrete model or involve a discretization of a continuous one. The former choice, often preferred for intuitive clarity, naturally leads to mixed-integer programs, hindering proofs of correctness and computational cost bounds (crucial for real-time operations). In this paper, a hybrid control system is used to model air traffic scheduling, capturing both the discrete and continuous aspects. This framework is applied to a class of problems, called the Fully Routed Nominal Problem. We prove a number of geometric results on feasible schedules and use these results to formulate an algorithm that attempts to compute a collective speed advisory, effectively finite, and has computational cost polynomial in the number of aircraft. This work is a first step toward optimization and models refined with more realistic detail.

Sadovsky, Alexander V.↗

Group-Additivity–Embedded Multiscale Modeling for Electric Field-Enhanced Nanocatalysis

Elucidating structure-performance relationships remains a central challenge in field-enhanced catalysis, where nanoparticles exhibit nonuniform surface sites with site-dependent responses to electric fields. Low-coordination sites (edges, corners, and tips) are particularly electric field-sensitive (EF), leading to nonuniform charge distribution, adsorption energies, and catalytic activity. Here, using ammonia decomposition on a ruthenium cluster as a model system, we develop a transferable multiscale framework integrating density functional theory, group additivity (GA), Brønsted-Evans-Polanyi scaling, and microkinetic modeling to predict EF-dependent activity across nonuniform cluster sites. Across sites and fields, the nitrogen adsorption energy (E N ) emerges as the governing descriptor, yielding robust volcano relationships whose optimum shifts systematically with field: negative fields strengthen N binding via electron accumulation, while positive fields weaken N binding via charge depletion, moving the optimal E N toward weaker binding. Microkinetic analysis shows that N≡N bond formation remains the key kinetic bottleneck over most conditions; positive fields lower the effective barrier and, critically, increase the fraction of near-optimal active sites, leading to a net enhancement in overall activity relative to zero-field and negative-field cases. By capturing EF- and site-dependent energetics with high accuracy and low computational cost, this GA-embedded multi-scale simulation workflow provides a physically interpretable route to predict and design field-enhanced nanocatalysis.

ammonia decomposition↗

Carbon optimized production of 3-hydroxypropionic acid in the Agile BioFoundry organism Rhodosporidium toruloides

The modern global economy relies heavily on carbon-based products that are derived from petroleum, which presents sustainability, resource management, and greenhouse gas exacerbated climate change challenges. Due to these challenges, there is the need for a global industrial transition towards green and sustainable production. Microbial production of valuable chemicals from renewable biomass represents one promising route. However, high-volume low-value products such as commodity chemicals are still difficult to make profitable. One fundamental bottleneck is a waste of more than 1/3 of the feedstock carbon as CO 2 in the fermentation process. Here the project focuses on fundamentally reconfiguring the metabolism to reduce CO 2 loss in central metabolic pathways thereby also improving bioproduct yields. Here we present technologies to prevent CO 2 loss and balance reducing equivalents within the cell to enable complete conversion of glucose from renewable feedstocks into bioproducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimizing stadium evacuation by integrating geocomputation and affordance theory

Football is culturally and economically important in the United States, and football stadiums are part of the country's critical infrastructure, thus receiving government protection against hazard events. In this project, an agent-based evacuation model was implemented to optimize evacuation time from The University of Southern Mississippi's M.M. Roberts Stadium (football) by accounting for evacuees’ age, gender, physical fitness, alcohol consumption, and prior experience with hazard events. The findings revealed that (i) the age and gender of an individual impact his/her locomotion speed and (ii) evacuation route choice is influenced by evacuees’ perception of its safety and effectiveness. The estimated evacuation times for all evacuees to exit only the stadium and the stadium plus the surrounding campus were 20.82 and 165.01 minutes, respectively. Both of these times were shorter than the evacuation times determined by models employing location-unspecific locomotion speeds. One-way analysis of variance revealed that there were statistically significant differences between use of location-specific and location-unspecific within-stadium evacuation times (p ≤ 0.001 with α = 0.05). These results suggest that using local data is vital to accurately estimate evacuation time.

99 GENERAL AND MISCELLANEOUS↗

Fabrication of UN microsphere kernels for Fully Ceramic Microencapsulated fuel

Fully Ceramic Microencapsulated (FCM) fuel is of interest to the U.S. Department of Energy's Fuel Cycle Research and Development program as an Accident Tolerant Fuel (ATF). The FCM design uses a TRISO (Tri-Structural Isotropic) particle with a ZrO{sub 2} surrogate kernel, embedded in a dense SiC matrix. TRISO technology, originally developed for High Temperature Gas Reactors, has an established high level of performance retaining fission products and the SiC matrix of an FCM compact shows good steam oxidation behavior. This work reports on a fabrication route for producing dense UN microspheres used as the kernel of the TRISO particles in FCM fuel. The UN microspheres are of high purity and density with enough porosity to accommodate volatile fission products. Increasing the density is nevertheless of interest potentially allowing for an additional adjustable property for optimizing the fuel kernel and TRISO particle characteristics. Current work is focused on investigating the effect of a feedstock microstructure on final product density. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cooling arbitrary near-critical systems using hyperbolic quenches

We describe a quench protocol that allows the rapid preparation of ground states of arbitrary interacting conformal field theories in 1+1 dimensions. We start from the ground state of a related gapped relativistic quantum field theory and consider sudden quenches along the spacelike trajectories t 2 – x 2 = $T$ $^{2}_{0}$ (parameterized by T 0 ) to a conformal field theory. Using only arguments of symmetry and conformal invariance, we show that the post-quench stress-energy tensor of the conformal field theory is uniquely constrained up to an overall scaling factor. Crucially, the geometry of the quench necessitates that the system approach the vacuum energy density over all space except the singular lines x = ±t. Here, the above arguments are verified using an exact treatment of the quench for the Gaussian scalar field theory (equivalently the Luttinger liquid), and numerically for the quantum O(N) model in the large-N limit. Additionally, for the Gaussian theory, we find in fact that even when starting from certain excited states, the quench conserves entropy, and is thus also suitable for rapidly preparing excited states. Our methods serve as a fast, alternative route to reservoir-based cooling to prepare quantum states of interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Developing reactors for electrifying bio-methanation: a perspective from bio-electrochemistry

The integration of microbial synthesis with renewable electricity is an emerging route for both CO 2 utilization and seasonal energy storage in the form of stored bio-electrofuels. The major benefits of electrifying bioreactors include: using highly selective bio-catalysts for CO 2 conversion under mild reaction conditions; decoupling the production of more facile electrochemical intermediates, such as hydrogen, at the electrode from the production of bio-catalyzed multi-electron and/or carbon products, such as methane or acetate; using microbes as robust and self-regenerating catalysts enabling higher efficiency and durability in CO 2 conversion systems compared to inorganic catalysis. In this Perspective, we propose research aimed at developing electro-bioreactor components that will increase the productivity of the reactor while maintaining high energy efficiency and biocompatible reaction conditions to fully realize the benefits of electrified bioreactors. Furthermore, these developments include: flow reactors with tailored 3D electrodes to optimally use the reactor volume, electrocatalysts designed for peak performance in neutral pH electrolytes, high conductivity microbial media, and new membrane separator materials with high ion conductivity and low gas permeability. Production of methane via a hybrid electrical-biological approach is taken as a case study to motivate these developments. Finally, an iterative design–manufacture–test cycle, enabled by additive manufacturing and 3D printing technologies, is proposed to rapidly prototype components prior to large-scale manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extended Ladder‐Type Benzo[ k ]tetraphene‐Derived Oligomers

Abstract Well‐defined, fused‐ring aromatic oligomers represent promising candidates for the fundamental understanding and application of advanced carbon‐rich materials, though bottom‐up synthesis and structure–property correlation of these compounds remain challenging. In this work, an efficient synthetic route was employed to construct extended benzo[ k ]tetraphene‐derived oligomers with up to 13 fused rings. The molecular and electronic structures of these compounds were clearly elucidated. Precise correlation of molecular sizes and crystallization dynamics was established, thus demonstrating the pivotal balance between intermolecular interaction and molecular mobility for optimized processing of highly ordered solids of these extended conjugated molecules.

Lee, Jongbok↗

Superconductor-in-an-Hour: Spark Plasma Synthesis of Co- and Ni-Doped BaFe 2 As 2

In this work, BaFe 2 As 2 superconductors doped with Co or Ni were synthesized by heat treatment of the reactive BaH 2 precursor and elemental Fe, Co, Ni, and As in a sealed niobium container. The hydride route provides better mixing of the starting materials, resulting in faster preparation of the target phases. The hydrogen gas evolved during sintering facilitates the preparation of the oxygen-free powders. Using powder X-ray diffraction (PXRD), including low-temperature synchrotron PXRD, it was shown that this route leads to successful doping of the Co (Ni) dopant and that the actual dopant content in the produced powdered samples of BaFe 2– x Co x As 2 (0 ≤ x ≤ 0.4) and BaFe 2– x Ni x As 2 (0 ≤ x ≤ 0.18) is close to the nominal content. The optimally doped samples of BaFe 2– x Co x As 2 and BaFe 2– x Ni x As 2 exhibit bulk superconducting properties. The highest T c for the Co-doped sample is 24 K when x = 0.15–0.175 and 21 K for the Ni-doped sample when x ~ 0.1. The reaction mechanism between the BaH 2 hydride precursor and elemental Fe and As was studied by operando high-temperature synchrotron PXRD. The formation of the target BaFe 2 As 2 phase occurs at the relatively low temperature of 785 K with binary iron arsenide (FeAs) being an intermediate product. Finally, the in situ combined synthesis and sintering of the intimately mixed BaH 2 and Fe, Co, and As was performed inside the spark plasma sintering apparatus to obtain compact pellets of the BaFe 2– x Co x As 2 superconductors. A higher sintering temperature (>873 K) is needed to ensure a homogeneous Co dopant distribution and, thus, the abrupt superconducting transitions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Two-step spin-coating of vacancy-ordered double perovskites enables growth of thin films for electronic devices

Vacancy-ordered double perovskites (VODPs), such as Cs 2 TeX 6 (X = Cl, Br, I), are lead-free alternatives to conventional metal-halide perovskites (MHPs). One limitation of VODPs is the lack of processes to form thin films relevant for physical characterization and electronic devices. A two-step spin-coating method was developed for synthesizing high-quality films of Cs 2 TeBr 6 . Independently depositing CsBr and TeBr 4 enables high precursor concentrations and control over crystallization kinetics. By optimizing the spin-coating parameters, conversion of precursors to phase pure films was observed using structural and surface characterization methods. The growth of mixed-halide systems was investigated using alternative salts including CsCl and CsI. The formation of halide alloys was found to depend on the existence of routes to byproducts. Lastly, single carrier diodes of Cs2TeBr6 were designed following valence band characterization with photoelectron spectroscopy. Temperature-dependent space-charge-limited current measurements revealed that transport occurs by hopping and the hole mobility is 3.2 × 10 −5 cm 2 V −1 s −1 near room temperature. As a result, the insights from the 2-step procedure provide a pathway towards making semiconducting devices from VODPs.

Kuklinski, Owen [University of California, Santa B↗