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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31

AEPF: Attention-Enabled Point Fusion for 3D Object Detection

Current state-of-the-art (SOTA) LiDAR-only detectors perform well for 3D object detection tasks, but point cloud data are typically sparse and lacks semantic information. Detailed semantic information obtained from camera images can be added with existing LiDAR-based detectors to create a robust 3D detection pipeline. With two different data types, a major challenge in developing multi-modal sensor fusion networks is to achieve effective data fusion while managing computational resources. With separate 2D and 3D feature extraction backbones, feature fusion can become more challenging as these modes generate different gradients, leading to gradient conflicts and suboptimal convergence during network optimization. To this end, we propose a 3D object detection method, Attention-Enabled Point Fusion (AEPF). AEPF uses images and voxelized point cloud data as inputs and estimates the 3D bounding boxes of object locations as outputs. An attention mechanism is introduced to an existing feature fusion strategy to improve 3D detection accuracy and two variants are proposed. These two variants, AEPF-Small and AEPF-Large, address different needs. AEPF-Small, with a lightweight attention module and fewer parameters, offers fast inference. AEPF-Large, with a more complex attention module and increased parameters, provides higher accuracy than baseline models. Experimental results on the KITTI validation set show that AEPF-Small maintains SOTA 3D detection accuracy while inferencing at higher speeds. AEPF-Large achieves mean average precision scores of 91.13, 79.06, and 76.15 for the car class’s easy, medium, and hard targets, respectively, in the KITTI validation set. Results from ablation experiments are also presented to support the choice of model architecture.

Chemistry↗

Wave drag as the objective function in transonic fighter wing optimization

The original computational method for determining wave drag in a three dimensional transonic analysis method was replaced by a wave drag formula based on the loss in momentum across an isentropic shock. This formula was used as the objective function in a numerical optimization procedure to reduce the wave drag of a fighter wing at transonic maneuver conditions. The optimization procedure minimized wave drag through modifications to the wing section contours defined by a wing profile shape function. A significant reduction in wave drag was achieved while maintaining a high lift coefficient. Comparisons of the pressure distributions for the initial and optimized wing geometries showed significant reductions in the leading-edge peaks and shock strength across the span.

Phillips, P. S.↗

Wing-Design Program for Subsonic or Supersonic Speeds

Surface of mildest possible camber generated. WINGDES provides analysis, design capability and is applicable to both subsonic and supersonic flows. Optimization carried out for entire wing or for designated leading- and trailing-edge areas, for design of missionadaptive surfaces. WINGDES written in FORTRAN IV.

Carlson, H. W.↗

On the constrained Chebyshev approximation problem on ellipses

Constrained Chebyshev approximation problems of the type with minimum (p is an element of Pi(sub n):p(c)=1) and maximum (z is an element of E) with /p(z)/ are considered. Here Pi(sub n) denotes the set of all complex polynomials of degree at most n, E is any ellipse in the complex plane, and c is an element of C/E. Such approximation problems arise in the context of optimizing semi-iterative methods for the solution of large, sparse systems of linear equations Ax=b with complex non-Hermitian coefficient matrices A. The problem of obtaining optimal polynomial preconditioners for conjugate gradient type methods for Ax=b also leads to problems of this type. A new family of polynomials -- q(sub n)(z;c), n is an element of N, and c is an element of C/E -- are introduced as the polynomials which are optimal for a modified version of the Chebyshev approximation problem with Pi(sub n) replaced by a certain subfamily. Some simple properties of q(sub n) are also listed. A necessary and sufficient condition for q(sub n) to be the extremal polynomial for the approximation problem is then derived. Finally, it is shown that q(sub n) is indeed optimal for the problem for all fixed n whenever the distance between c and E is sufficiently large. Results of some numerical tests are presented.

Freund, Roland↗

Towards a theory of automated elliptic mesh generation

The theory of elliptic mesh generation is reviewed and the fundamental problem of constructing computational space is discussed. It is argued that the construction of computational space is an NP-Complete problem and therefore requires a nonstandard approach for its solution. This leads to the development of graph-theoretic, combinatorial optimization and integer programming algorithms. Methods for the construction of two dimensional computational space are presented.

Cordova, J. Q.↗

Star trackers, star catalogs, and attitude determination - Probabilistic aspects of system design

Optimizing spacecraft attitude determination systems that use onboard star trackers requires analysis and evaluation of some probabilistic aspects of system design. This paper discusses methods of constructing or compiling optimum star catalogs, which are defined as uniform distributions on a sphere. Both local and global measures of uniformity on a sphere are defined. Application of these methods and measures to a specific problem is also discussed. In addition, Poisson models of star tracker acquisition probabilities are formulated to provide a useful analytical basis for designing and optimizing attitude determination systems. These analytical models and methods lead to rapid and realistic quantitative results, and should therefore facilitate making system performance trades. Use of such methods should also reduce the need for performing tedious computer simulations to obtain analogous results.

Vedder, John D.↗

Optimum design of a composite structure with ply-interleaving constraints

The application of composite materials to aircraft construction has provided the designer with increased flexibility. The orientation of plies can be tailored to provide additional aeroelastic performance unobtainable with an isotropic material. A tailored laminate is made up of plies of several orientations, usually 0 deg, 45 deg, -45 deg, and 90 deg. The direction of the 0 deg plies, does not need to be oriented with the leading edge, but can be varied to obtain a wide variety of structural properties. Also, the number of plies of each orientation varies from one zone to another on the planform. Thus, a thick laminate with mainly 0 deg plies may form the root zone, and a thinner laminate with mainly +45 deg plies may form the leading edge zone. Tailored laminates were designed using complicated optimization programs. Unfortunately, many tailored designs must be modified before they are manufactured. The modification adds weight and decreases performance. One type of modification is ply interleaving, an overlap of plies between zones on the laminate. These interleaves are added to ensure that zones with varying ply percentages can be connected without loss of strength. In this paper, the constraints needed to eliminate interleaves in the laminate optimization process will be described and implemented in a structural optimization problem. The method used has the potential to prevent changes to composite laminates late in the design cycle.

Wang, Bo Ping↗

Upper Limit of Weights in TAI Computation

The international reference time scale International Atomic Time (TAI) computed by the Bureau International des Poids et Mesures (BIPM) relies on a weighted average of data from a large number of atomic clocks. In it, the weight attributed to a given clock depends on its long-term stability. In this paper the TAI algorithm is used as the basis for a discussion of how to implement an upper limit of weight for clocks contributing to the ensemble time. This problem is approached through the comparison of two different techniques. In one case, a maximum relative weight is fixed: no individual clock can contribute more than a given fraction to the resulting time scale. The weight of each clock is then adjusted according to the qualities of the whole set of contributing elements. In the other case, a parameter characteristic of frequency stability is chosen: no individual clock can appear more stable than the stated limit. This is equivalent to choosing an absolute limit of weight and attributing this to to the most stable clocks independently of the other elements of the ensemble. The first technique is more robust than the second and automatically optimizes the stability of the resulting time scale, but leads to a more complicated computatio. The second technique has been used in the TAI algorithm since the very beginning. Careful analysis of tests on real clock data shows that improvement of the stability of the time scale requires revision from time to time of the fixed value chosen for the upper limit of absolute weight. In particular, we present results which confirm the decision of the CCDS Working Group on TAI to increase the absolute upper limit by a factor of 2.5. We also show that the use of an upper relative contribution further helps to improve the stability and may be a useful step towards better use of the massive ensemble of HP 507IA clocks now contributing to TAI.

Thomas, Claudine↗

A Bayesian Approach to Sensor Characterization

The physical model of a generic electro-optic sensor is derived and incorporated into a Bayesian framework for the estimation of key instrument parameters from calibration data. The sensor characterization thus achieved enables optimal subsequent removal of instrument effects from field data, leading to the highest possible accuracy in the retrieved physical quantities.

Timucin, Dogan A.↗

Unmanned Aerial Vehicle Systems for Disaster Relief: Tornado Alley

Unmanned aerial vehicle systems are currently in limited use for public service missions worldwide. Development of civil unmanned technology in the United States currently lags behind military unmanned technology development in part because of unresolved regulatory and technological issues. Civil unmanned aerial vehicle systems have potential to augment disaster relief and emergency response efforts. Optimal design of aerial systems for such applications will lead to unmanned vehicles which provide maximum potentiality for relief and emergency response while accounting for public safety concerns and regulatory requirements. A case study is presented that demonstrates application of a civil unmanned system to a disaster relief mission with the intent on saving lives. The concept utilizes unmanned aircraft to obtain advanced warning and damage assessments for tornados and severe thunderstorms. Overview of a tornado watch mission architecture as well as commentary on risk, cost, need for, and design tradeoffs for unmanned aerial systems are provided.

DeBusk, Wesley M.↗

Peak-Seeking Control For Reduced Fuel Consumption: Flight-Test Results For The Full-Scale Advanced Systems Testbed FA-18 Airplane

A peak-seeking control algorithm for real-time trim optimization for reduced fuel consumption has been developed by researchers at the National Aeronautics and Space Administration (NASA) Dryden Flight Research Center to address the goals of the NASA Environmentally Responsible Aviation project to reduce fuel burn and emissions. The peak-seeking control algorithm is based on a steepest-descent algorithm using a time-varying Kalman filter to estimate the gradient of a performance function of fuel flow versus control surface positions. In real-time operation, deflections of symmetric ailerons, trailing-edge flaps, and leading-edge flaps of an F/A-18 airplane are used for optimization of fuel flow. Results from six research flights are presented herein. The optimization algorithm found a trim configuration that required approximately 3 percent less fuel flow than the baseline trim at the same flight condition. This presentation also focuses on the design of the flight experiment and the practical challenges of conducting the experiment.

flight optimization↗

Impact of Airspace Charges on Transatlantic Aircraft Trajectories

Aircraft flying over the airspace of different countries are subject to over-flight charges. These charges vary from country to country. Airspace charges, while necessary to support the communication, navigation and surveillance services, may lead to aircraft flying routes longer than wind-optimal routes and produce additional carbon dioxide and other gaseous emissions. This paper develops an optimal route between city pairs by modifying the cost function to include an airspace cost whenever an aircraft flies through a controlled airspace without landing or departing from that airspace. It is assumed that the aircraft will fly the trajectory at a constant cruise altitude and constant speed. The computationally efficient optimal trajectory is derived by solving a non-linear optimal control problem. The operational strategies investigated in this study for minimizing aircraft fuel burn and emissions include flying fuel-optimal routes and flying cost-optimal routes that may completely or partially reduce airspace charges en route. The results in this paper use traffic data for transatlantic flights during July 2012. The mean daily savings in over-flight charges, fuel cost and total operation cost during the period are 17.6 percent, 1.6 percent, and 2.4 percent respectively, along the cost- optimal trajectories. The transatlantic flights can potentially save $600,000 in fuel cost plus $360,000 in over-flight charges daily by flying the cost-optimal trajectories. In addition, the aircraft emissions can be potentially reduced by 2,070 metric tons each day. The airport pairs and airspace regions that have the highest potential impacts due to airspace charges are identified for possible reduction of fuel burn and aircraft emissions for the transatlantic flights. The results in the paper show that the impact of the variation in fuel price on the optimal routes is to reduce the difference between wind-optimal and cost-optimal routes as the fuel price increases. The additional fuel consumption is quantified using the 30 percent variation in fuel prices during March 2014 to March 2015.

aircraft scheduling↗

Studies on the Encapsulation of Brine Generated from a Process Using Selective Electrodialysis Reversal

This topical report summarizes the laboratory testing, geochemical modeling, and mineralogical testing conducted to examine the efficacy of wastewater encapsulation for the brine generated from the Saltworks Flex electrodialysis reversal technology. Within the laboratory testing, the short- and long-term physical properties of seven separate mix designs were examined along with the leaching of each mix design. Additionally, geochemical thermodynamic modeling was used along with mineralogical analyses to help gain a fundamental understanding of the chemistry involved in the encapsulation process. Encapsulation is a process that results in the immobilization of constituents of interest by creating an engineered material that contains the waste within its matrix, both physically and chemically, in such a manner that the receiving environment is protected from adverse effects. Within the context of this study, encapsulation mix designs involved mixing the Saltworks brine with fly ash and various additives, principally lime (calcium oxide) and cement, to form a paste that eventually sets and hardens into a monolith upon placement in a landfill. Moisture conditioning fly ash with wastewater sources for on-site landfill disposal is a process that is in use at some sites and has been presented as a viable option to dispose of liquid wastes. However, because chemical reactions that can lead to sequestration of constituents of interest are not optimized, leaching can occur. Therefore, in this study, mixes were created to mimic moisture conditioning, as well as engineered pastes of varying mix designs. The study found that engineered encapsulation mixes provide significant resistance to leaching compared to moisture conditioning alone. The best performing encapsulation mix used lime as the additive, which proved superior to the use of cement. After 90 days of curing, this encapsulated mix was 5.5 times stronger than the moisture conditioned mix. Additionally, this mix exhibited an approximate 2.5 order of magnitude drop in hydraulic conductivity compared to the moisture conditioned mix. When comparing leaching, nearly all the chloride was found to evolve from the moisture conditioned mix, whereas only 6.7% of the chlorine contained in the best performing encapsulated mix leached out. Mineralogical analysis via X-ray diffraction (XRD) showed a significant concentration of the chloride sequestering mineral, Friedel’s salt, in the best performing encapsulation mix, whereas none was observed in the moisture conditioned mix, pointing to it being the primary chemical mechanism for chloride retention, along with the physical impermeability of the material. With respect to the modeling study, the model was successful in predicting the presence of most mineral phases observed in the XRD analysis.

01 COAL, LIGNITE, AND PEAT↗

Optimizing the regularization in size-consistent second-order Brillouin-Wigner perturbation theory

Despite its simplicity and relatively low computational cost, second-order Møller-Plesset perturbation theory (MP2) is well-known to overbind noncovalent interactions between polarizable monomers and some organometallic bonds. In such situations, the pairwise-additive correlation energy expression in MP2 is inadequate. Although energy-gap dependent amplitude regularization can substantially improve the accuracy of conventional MP2 in these regimes, the same regularization parameter worsens the accuracy for small molecule thermochemistry and density-dependent properties. Recently, we proposed a repartitioning of Brillouin-Wigner perturbation theory that is size-consistent to second order (BW-s2), and a free parameter ($α$) was set to recover the exact dissociation limit of H 2 in a minimal basis set. Alternatively $α$ can be viewed as a regularization parameter, where each value of $α$ represents a valid variant of BW-s2, which we denote as BW-s2($α$). In this work, we semi-empirically optimize $α$ for noncovalent interactions, thermochemistry, alkane conformational energies, electronic response properties, and transition metal datasets, leading to improvements in accuracy relative to the ab initio parameterization of BW-s2 and MP2. We demonstrate that the optimal $α$ parameter ($α$ = 4) is more transferable across chemical problems than energy-gap-dependent regularization parameters. This is attributable to the fact that the BW-s2($α$) regularization strength depends on all of the information encoded in the t amplitudes rather than just orbital energy differences. While the computational scaling of BW-s2($α$) is iterative $\mathcal{O}$($N^5$), this effective and transferable approach to amplitude regularization is a promising route to incorporate higher-order correlation effects at second-order cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimating time in quantum chaotic systems and black holes

We characterize new universal features of the dynamics of chaotic quantum many-body systems, by considering a hypothetical task of "time estimation". Most macroscopic observables in a chaotic system equilibrate to nearly constant late-time values. Intuitively, it should become increasingly difficult to estimate the precise value of time by making measurements on the state. We use a quantity called the Fisher information from quantum metrology to quantify the minimum uncertainty in estimating time. Due to unitarity, the uncertainty in the time estimate does not grow with time if we have access to optimal measurements on the full system. Restricting the measurements to act on a small subsystem or to have low computational complexity leads to results expected from equilibration, where the time uncertainty becomes large at late times. With optimal measurements on a subsystem larger than half of the system, we regain the ability to estimate the time very precisely, even at late times. Hawking's calculation for the reduced density matrix of the black hole radiation in semiclassical gravity contradicts our general predictions for unitary quantum chaotic systems. Hawking's state always has a large uncertainty for attempts to estimate the time using the radiation, whereas our general results imply that the uncertainty should become small after the Page time. This gives a new version of the black hole information loss paradox in terms of the time estimation task. By restricting to simple measurements on the radiation, the time uncertainty becomes large. This indicates from a new perspective that the observations of computationally bounded agents are consistent with the semiclassical effective description of gravity.

Black holes↗

Krylov subspace recycling for evolving structures

Krylov subspace recycling is a powerful tool when solving a long series of large, sparse linear systems that change only slowly over time. In PDE constrained shape optimization, these series appear naturally, as typically hundreds or thousands of optimization steps are needed with only small changes in the geometry. In this setting, however, applying Krylov subspace recycling can be a difficult task. As the geometry evolves, in general, so does the finite element mesh defined on or representing this geometry, including the numbers of nodes and elements and element connectivity. This is especially the case if re-meshing techniques are used. As a result, the number of algebraic degrees of freedom in the system changes, and in general the linear system matrices resulting from the finite element discretization change size from one optimization step to the next. Changes in the mesh connectivity also lead to structural changes in the matrices. In the case of re-meshing, even if the geometry changes only a little, the corresponding mesh might differ substantially from the previous one. Obviously, this prevents any straightforward mapping of the approximate invariant subspace of the linear system matrix (the focus of recycling in this work) from one optimization step to the next; similar problems arise for other selected subspaces. In this paper, we present an algorithm to map an approximate invariant subspace of the linear system matrix for the previous optimization step to an approximate invariant subspace of the linear system matrix for the current optimization step, for general meshes. This is achieved by exploiting the map from coefficient vectors to finite element functions on the mesh, combined with interpolation or approximation of functions on the finite element mesh. We demonstrate the effectiveness of our approach numerically with several proof of concept studies for a specific meshing technique.

42 ENGINEERING↗

Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry

Seasonal and pandemic-associated influenza strains cause highly contagious viral respiratory infections that can lead to severe illness and excess mortality. Here, we report on the optimization of our small-molecule inhibitor F0045(S) targeting the influenza hemagglutinin (HA) stem with our Sulfur-Fluoride Exchange (SuFEx) click chemistry–based high-throughput medicinal chemistry (HTMC) strategy. A combination of SuFEx- and amide-based lead molecule diversification and structure-guided design led to identification and validation of ultrapotent influenza fusion inhibitors with subnanomolar EC 50 cellular antiviral activity against several influenza A group 1 strains. X-ray structures of six of these compounds with HA indicate that the appended moieties occupy additional pockets on the HA surface and increase the binding interaction, where the accumulation of several polar interactions also contributes to the improved affinity. The compounds here represent the most potent HA small-molecule inhibitors to date. Our divergent HTMC platform is therefore a powerful, rapid, and cost-effective approach to develop bioactive chemical probes and drug-like candidates against viral targets.

Science & Technology - Other Topics↗

Wing-section optimization for supersonic viscous flows

The recent interest in High Speed Civil Transport (HSCT) has resulted in renewed research studies of optimized supersonic cruise transport configurations. Incorporation of flow viscosity effects in the design process of such a supersonic wing is currently under investigation. This may lead to more accurate problem formulations and, in turn, greater aerodynamic efficiency than can be obtained by the traditional, inviscid, linear theories. In this context, for a design code to be a candidate for a complex optimization problem, such as three-dimensional viscous supersonic wing design, it should be validated using simpler building-block shapes. To optimize the shape of a supersonic wing, an automated method that also includes higher fidelity to the flow physics is desirable. With this impetus, an aerodynamic optimization methodology incorporating Navier-Stokes equations and sensitivity analysis had been previously developed. Prior to embarking upon the wing design task, the present investigation concentrated on testing the flexibility of the methodology, and the identification of adequate problem formulations, by defining two-dimensional, cost-effective test cases. Starting with two distinctly different initial airfoils, two independent shape optimizations resulted in shapes with very similar features. Secondly, the normal section to the subsonic portion of the leading edge, which had a high normal angle-of-attack, was considered. The optimization resulted in a shape with twist and camber, which eliminated the adverse pressure gradient, hence, exploiting the leading-edge thrust. The wing section shapes obtained in all the test cases had the features predicted by previous studies. Therefore, it was concluded that the flowfield analyses and the sensitivity coefficients were computed and fed to the present gradient-based optimizer correctly. Also, as a result of the present two-dimensional study, suggestions were made for problem formulations which should contribute to an effective wing shape optimization.

Item, Cem C.↗