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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Three dimensional unstructured multigrid for the Euler equations

The three-dimensional Euler equations are solved on unstructured tetrahedral meshes using a multigrid strategy. The driving algorithm consists of an explicit vertex-based finite-element scheme, which employs an edge-based data-structure to assemble the residuals. The multigrid approach employs a sequence of independently generated coarse and fine meshes to accelerate the convergence to steady-state of the fine grid solution. Variables, residuals and corrections are passed back and forth between the various grids of the sequence using linear interpolation. The addresses and weights for interpolation are determined in a preprocessing stage using an efficient graph traversal algorithm. The preprocessing operation is shown to require a negligible fraction of the CPU time required by the overall solution procedure, while gains in overall solution efficiencies greater than an order of magnitude are demonstrated on meshes containing up to 350,000 vertices. Solutions using globally regenerated fine meshes as well as adaptively refined meshes are given.

Mavriplis, D. J.↗
DOE OSTI2024

Learning Molecular Mixture Property Using Chemistry-Aware Graph Neural Network

Recent advances in machine learning (ML) are expediting materials discovery and design. One significant challenge facing ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials, such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Here, we present MolSets, a specialized ML model for molecular mixtures, to overcome the difficulties. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecular level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in the virtual screening of the combinatorial chemical space. Published by the American Physical Society 2024

Zhang, Hengrui (ORCID:0000000231831654)↗
NASA NTRS2002

Science opportunity analyzer - a multi-mission tool for planning

For many years the diverse scientific community that supports JPL's wide variety ofinterplanetary space missions has needed a tool in order to plan and develop their experiments. The tool needs to be easily adapted to various mission types and portable to the user community. The Science Opportunity Analyzer, SOA, now in its third year of development, is intended to meet this need. SOA is a java-based application that is designed to enable scientists to identify and analyze opportunities for science observations from spacecraft. It differs from other planning tools in that it does not require an in-depth knowledge of the spacecraft command system or operation modes to begin high level planning. Users can, however, develop increasingly detailed levels of design. SOA consists of six major functions: Opportunity Search, Visualization, Observation Design, Constraint Checking, Data Output and Communications. Opportunity Search is a GUI driven interface to existing search engines that can be used to identify times when a spacecraft is in a specific geometrical relationship with other bodies in the solar system. This function can be used for advanced mission planning as well as for making last minute adjustments to mission sequences in response to trajectory modifications. Visualization is a key aspect of SOA. The user can view observation opportunities in either a 3D representation or as a 2D map projection. The user is given extensive flexibility to customize what is displayed in the view. Observation Design allows the user to orient the spacecraft and visualize the projection of the instrument field of view for that orientation using the same views as Opportunity Search. Constraint Checking is provided to validate various geometrical and physical aspects of an observation design. The user has the ability to easily create custom rules or to use official project-generated flight rules. This capability may also allow scientists to easily impact the cost to science if flight rule changes occur. Data Output generates information based on the spacecraft's trajectory, opportunity search results or based on a created observation. The data can be viewed either in tabular format or as a graph. Finally, SOA is unique in that it is designed to be able to communicate with a variety of existing planning and sequencing tools. From the very beginning SOA was designed with the user in mind. Extensive surveys of the potential user community were conducted in order to develop the software requirements. Throughout the development period, close ties have been maintained with the science community to insure that the tool maintains its user focus. Although development is still in its early stages, SOA is already developing a user community on the Cassini project, which is depending on this tool for their science planning. There are other tools at JPL that do various pieces of what SOA can do; however, there is no other tool which combines all these functions and presents them to the user in such a convenient, cohesive, and easy to use fashion.

SOA science planning mission operations sequence s↗
DOE OSTI2023

3D-equivariant graph neural networks for protein model quality assessment

Quality assessment (QA) of predicted protein tertiary structure models plays an important role in ranking and using them. With the recent development of deep learning end-to-end protein structure prediction techniques for generating highly confident tertiary structures for most proteins, it is important to explore corresponding QA strategies to evaluate and select the structural models predicted by them since these models have better quality and different properties than the models predicted by traditional tertiary structure prediction methods. We develop EnQA, a novel graph-based 3D-equivariant neural network method that is equivariant to rotation and translation of 3D objects to estimate the accuracy of protein structural models by leveraging the structural features acquired from the state-of-the-art tertiary structure prediction method—AlphaFold2. We train and test the method on both traditional model datasets (e.g. the datasets of the Critical Assessment of Techniques for Protein Structure Prediction) and a new dataset of high-quality structural models predicted only by AlphaFold2 for the proteins whose experimental structures were released recently. Our approach achieves state-of-the-art performance on protein structural models predicted by both traditional protein structure prediction methods and the latest end-to-end deep learning method—AlphaFold2. It performs even better than the model QA scores provided by AlphaFold2 itself. The results illustrate that the 3D-equivariant graph neural network is a promising approach to the evaluation of protein structural models. Integrating AlphaFold2 features with other complementary sequence and structural features is important for improving protein model QA.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1972

FGRAAL: Technical documentation

Implementation of FGRAAL, a FORTRAN-extended graph algorithmic language for the Univac 1108 is described. The report contains the description of the implemented data structures for sets, lists and graphs. It summarizes the changes made for the RALPH compiler to accommodate the special statements of FGRAAL; gives the calling sequences generated by the changed compiler; and describes the object time subroutine package.

Mesztenyi, C. K.↗
NASA NTRS1987

Chromospheres and transition regions

The properties of stellar chromospheres are examined, summarizing the results of observations obtained with the IUE satellite since its launch in 1978. Numerous sample spectra, graphs, and diagrams are presented and analyzed in detail. Consideration is given to 120-320-nm spectroscopy of main-sequence stars, giants, and supergiants; the global properties of main-sequence and post-main-sequence chromospheres; dynamic phenomena and structures (systematic flows, atmospheric inhomogeneities, and intrinsic variability); and structural and energy-balance modeling. A number of outstanding problems are listed, and the potential value of data from the Hubble Space Telescope and the Lyman FUV Spectroscopic Explorer in solving them is indicated.

Jordan, Carole↗
NASA NTRS2013

Flat Surface Damage Detection System (FSDDS)

The Flat Surface Damage Detection system (FSDDS} is a sensory system that is capable of detecting impact damages to surfaces utilizing a novel sensor system. This system will provide the ability to monitor the integrity of an inflatable habitat during in situ system health monitoring. The system consists of three main custom designed subsystems: the multi-layer sensing panel, the embedded monitoring system, and the graphical user interface (GUI). The GUI LABVIEW software uses a custom developed damage detection algorithm to determine the damage location based on the sequence of broken sensing lines. It estimates the damage size, the maximum depth, and plots the damage location on a graph. Successfully demonstrated as a stand alone technology during 2011 D-RATS. Software modification also allowed for communication with HDU avionics crew display which was demonstrated remotely (KSC to JSC} during 2012 integration testing. Integrated FSDDS system and stand alone multi-panel systems were demonstrated remotely and at JSC, Mission Operations Test using Space Network Research Federation (SNRF} network in 2012. FY13, FSDDS multi-panel integration with JSC and SNRF network Technology can allow for integration with other complementary damage detection systems.

Williams, Martha↗
NASA NTRS1994

A genetic technique for planning a control sequence to navigate the state space with a quasi-minimum-cost output trajectory for a non-linear multi-dimnensional system

There are many multi-stage optimization problems that are not easily solved through any known direct method when the stages are coupled. For instance, we have investigated the problem of planning a vehicle's control sequence to negotiate obstacles and reach a goal in minimum time. The vehicle has a known mass, and the controlling forces have finite limits. We have developed a technique that finds admissible control trajectories which tend to minimize the vehicle's transit time through the obstacle field. The immediate applications is that of a space robot which must rapidly traverse around 2-or-3 dimensional structures via application of a rotating thruster or non-rotating on-off for such vehicles is located at the Marshall Space Flight Center in Huntsville Alabama. However, it appears that the development method is applicable to a general set of optimization problems in which the cost function and the multi-dimensional multi-state system can be any nonlinear functions, which are continuous in the operating regions. Other applications included the planning of optimal navigation pathways through a transversability graph; the planning of control input for under-water maneuvering vehicles which have complex control state-space relationships; the planning of control sequences for milling and manufacturing robots; the planning of control and trajectories for automated delivery vehicles; and the optimization and athletic training in slalom sports.

Hein, C.↗
NASA NTRS1974

A computer-controlled, on-board data acquisition system for wind-tunnel testing

A computer-controlled data acquisition system has been developed for the 40x80-foot wind tunnel at Ames Research Center. The system, consisting of several small onboard units installed in the model and a data-managing, data-displaying ground station, is capable of sampling up to 256 channels of raw data at a total sample rate of 128,000 samples/sec. Complete signal conditioning is contained within the on-board units. The sampling sequence and channel gain selection is completely random and under total control of the ground station. Outputs include a bar-graph display, digital-to-analog converters, and digital interface to the tunnel's central computer, an SEL 840MP. The system can be run stand-alone or under the control of the SEL 840MP.

Finger, H. J.↗
NASA NTRS1989

Mechanics of unsymmetric laminates

Theoretical models describing the mechanical behavior of fiber-reinforced composite laminates are developed analytically and demonstrated. The curing of composite structures and the out-of-plane shapes of unsymmetric laminates are discussed and illustrated with photographs; the derivation of the governing equations is outlined; numerical results for typical laminates are presented in graphs; and particular attention is given to stability considerations and the effects of material properties, laminate thickness, aspect ratio, and stacking sequence.

Hyer, M. W.↗
NASA NTRS2020

Event-Driven Modeling and Execution of Robotic Activities and Contingencies in the Europa Lander Mission Concept Using BPMN

TRACE (Traceable Robotic Activity Composer and Executive) is a tool designed to address the model-ing, verification, and execution of planned and con-tingent activities during robotic space missions. These activities can be modeled (i.e., planned) graph-ically in TRACE using the Business Process Model and Notation (BPMN) language. This standardized language is used to model a sequence of robotic ac-tivities tied together by logical constructs, events, and time. TRACE includes verification tools to en-sure feasibility before mission models are executed by TRACE’s executive, which is integrated into the autonomy subsystem via a connector. In this paper, we describe TRACE in detail as it would apply to a conceptual Europa Lander surface mission with planned excavation and sample collection activities, as well as, contingency activities when execution is off-nominal—all highlighting our novel use of BPMN as a lingua franca for the pipeline from mis-sion planning to autonomous execution.

Lim, Grace↗
DOE OSTI2017

On extreme points of the diffusion polytope

Here, we consider a class of diffusion problems defined on simple graphs in which the populations at any two vertices may be averaged if they are connected by an edge. The diffusion polytope is the convex hull of the set of population vectors attainable using finite sequences of these operations. A number of physical problems have linear programming solutions taking the diffusion polytope as the feasible region, e.g. the free energy that can be removed from plasma using waves, so there is a need to describe and enumerate its extreme points. We also review known results for the case of the complete graph Kn, and study a variety of problems for the path graph Pn and the cyclic graph Cn. Finall, we describe the different kinds of extreme points that arise, and identify the diffusion polytope in a number of simple cases. In the case of increasing initial populations on Pn the diffusion polytope is topologically an n-dimensional hypercube.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1985

Spread spectrum communications. Volume 1, 2 & 3

The design and operation of spread-spectrum (SS) communication systems are examined in an introductory text intended for graduate engineering students and practicing engineers. Chapters are devoted to an overview of SS systems, the historical origins of SS, basic concepts and system models, antijam communication systems, pseudonoise generators, coherent direct-sequence systems, noncoherent frequency-hopped systems, coherent and differentially coherent modulation techniques, pseudonoise acquisition and tracking in direct-sequence receivers, time and frequency synchronization of frequency-hopped receivers, low-probability-of-intercept communication, and multiple-access communication. Graphs, diagrams, and photographs are provided.

Simon, M. K.↗
DOE OSTI2023

Inverse Reinforcement Learning based Bayesian Goal Inference Method for Early Nuclear Proliferation Detection

Traditional methods for detection of nuclear proliferation indicators are usually applied after nuclear proliferation has already occurred. There is a need to advance these methods to perform early detection of nuclear proliferation indicators. In this project, we formulated an early detection problem as a sequential, decision-making, goal inference problem based on research publications of authors, to determine whether it is possible to infer whether an author will publish on a research activity before it has occurred. To develop and test our approach, we selected a civil nuclear activity for our case study. We constructed a state-action-state transition graph from publications of authors associated with the activity and the co-authors of their publications, using titles, abstracts, and author publication sequences. We then used inverse reinforcement learning to model the goal-directed behavior of authors in trajectories that terminate at selected goal states. Using a Bayesian formulation, we computed the probability that authors would reach each selected state from partially observed trajectories of their state transitions in their research topic space. The state with the highest probability was selected as the most probable goal state. Based on our results, we found that 60% of the times we can infer the correct goal state early; sometimes the inference is either delayed, or multiple states could be inferred as goal states. Overall, our results show that it is possible to perform early detection of research activities of authors in a nuclear technology area. Further research is necessary to establish a more accurate understanding of how topic modeling, topic space grid discretization, and the extent of overlap among trajectories of different goal states, affect the goal inference results. The methods developed in this work may be used to enhance data-driven methods for early detection of nuclear proliferation indicators.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1970

Simple data-smoothing and noise-suppression technique

Algorithm, based on the Borel method of summing divergent sequences, is used for smoothing noisy data where knowledge of frequency content is not required. Technique's effectiveness is demonstrated by a series of graphs.

Duty, R. L.↗
NASA NTRSDate not supplied

Aerial Vehicle Routing and Scheduling for UAS Traffic Management: A Monte Carlo Tree Search Approach

Numerous unmanned aircraft systems operating at low altitudes to deliver goods and services may one day become ubiquitous in our cities. In the Unmanned Aircraft Systems (UAS) Traffic Management (UTM) framework, such a concept is envisioned, where aerial vehicles operate beyond visual line of sight (BVLOS) within specifically reserved and time stamped “corridors” in the airspace. For example, these corridors or operational intent volumes can connect an aerial vehicle’s origin site to its destination site for package delivery operations. There may also be more than one corridor available for an aerial vehicle to choose from and often different corridors may intersect with one another. Thus, it is imperative to ensure flight trajectories belonging to different aerial vehicles are not in conflict. Per the UTM CONOPs, we assume that a vehicle almost always stays inside its corridor or operational volume. This work provides a framework for strategic deconfliction of UTM or package delivery drones, where we schedule the departure time of all vehicles subject to various temporal constraints (including the corridor deconfliction at the intersections). We present the “multi-route weighted package delivery problem” which serves as an exemplifying model for strategic deconfliction in UTM. In the multi-route weighted package delivery problem, a graph network is given which consists of a set of depots (source) and drop-off (destination) nodes, with multiple routes (defined as a sequence of waypoints) connecting the depots to drop-off nodes. In addition, routes are weighted by the associated ground risk and total travel distance for package delivery. The goal is for a known set of aerial vehicles to depart from the depots, choose a route and take off time, while avoiding conflicts with other aerial vehicles, and minimizing both risk and distance traveled. We provide a mixed integer linear programming (MILP) formulation of the problem, as well as a heuristic solution based on Monte Carlo Tree Search (MCTS) – a method used in game theory and artificial intelligence – to overcome limitations inherent to optimal solvers. Computational results show the advantages of using MCTS over the MILP formulation; the former can provide a sub-optimal solution quickly, and may sometimes even reach an optimal solution, whereas the latter may not even produce a solution in reasonable time. Furthermore, results from both the MILP formulation and MCTS methods were validated using a preliminary agent-based simulator implementing the UTM concept of operations. Thus, the MCTS method can be seen as a scalable solution to the complex multi-route weighted package delivery problem and may possibly be extended to similar complex optimization problems.

Kenny Chour↗
DOE OSTI2016

SWAP-Assembler 2: Optimization of De Novo Genome Assembler at Large Scale

In this paper, we analyze and optimize the most time-consuming steps of the SWAP-Assembler, a parallel genome assembler, so that it can scale to a large number of cores for huge genomes with the size of sequencing data ranging from terabyes to petabytes. According to the performance analysis results, the most time-consuming steps are input parallelization, k-mer graph construction, and graph simplification (edge merging). For the input parallelization, the input data is divided into virtual fragments with nearly equal size, and the start position and end position of each fragment are automatically separated at the beginning of the reads. In k-mer graph construction, in order to improve the communication efficiency, the message size is kept constant between any two processes by proportionally increasing the number of nucleotides to the number of processes in the input parallelization step for each round. The memory usage is also decreased because only a small part of the input data is processed in each round. With graph simplification, the communication protocol reduces the number of communication loops from four to two loops and decreases the idle communication time. The optimized assembler is denoted as SWAP-Assembler 2 (SWAP2). In our experiments using a 1000 Genomes project dataset of 4 terabytes (the largest dataset ever used for assembling) on the supercomputer Mira, the results show that SWAP2 scales to 131,072 cores with an efficiency of 40%. We also compared our work with both the HipMER assembler and the SWAP-Assembler. On the Yanhuang dataset of 300 gigabytes, SWAP2 shows a 3X speedup and 4X better scalability compared with the HipMer assembler and is 45 times faster than the SWAP-Assembler. The SWAP2 software is available at https://sourceforge.net/projects/swapassembler.

Meng, Jintao↗
NASA NTRS1983

Establishing homologies in protein sequences

Computer-based statistical techniques used to determine homologies between proteins occurring in different species are reviewed. The technique is based on comparison of two protein sequences, either by relating all segments of a given length in one sequence to all segments of the second or by finding the best alignment of the two sequences. Approaches discussed include selection using printed tabulations, identification of very similar sequences, and computer searches of a database. The use of the SEARCH, RELATE, and ALIGN programs (Dayhoff, 1979) is explained; sample data are presented in graphs, diagrams, and tables and the construction of scoring matrices is considered.

Dayhoff, M. O.↗