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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Novel Framework to Quantify Power Grid Resilience

The quantification of an operating power grid’s resilience is highly significant today, given its criticality as an enabler of other infrastructures, complexity, and the threat it faces due to a wide range of detrimental events, from extreme climate to cyber attacks. Currently, there exist no standardized definitions and metrics for measuring the resilience of an operating grid. In this paper, we introduce a novel resilience quantification framework and demonstrate a method to measure the flexibility towards topological/structural changes due to potential failures in the power grid to assess operational resilience. We start with the state estimation data from a large utility and use the graph analysis methods and power flow simulation tools to compute the identified resilience parameters.

Yoginath, Srikanth↗
DOE OSTI2024

Batched sparse direct solver design and evaluation in SuperLU_DIST

Over the course of interactions with various application teams, the need for batched sparse linear algebra functions has emerged in order to make more efficient use of the GPUs for many small and sparse linear algebra problems. In this paper, we present our recent work on a batched sparse direct solver for GPUs. The sparse LU factorization is computed by the levels of the elimination tree, leveraging the batched dense operations at each level and a new batched Scatter GPU kernel. The sparse triangular solve is computed by the level sets of the directed acyclic graph (DAG) of the triangular matrix. Batched operations overcome the large overhead associated with launching many small kernels. For medium sized matrix batches with not-so-small bandwidth, using an NVIDIA A100 GPU, our new batched sparse direct solver is orders of magnitude faster than a batched banded solver and uses less than one-tenth of the memory.

Boukaram, Wajih↗
NASA NTRS1974

Long-duration life tests of slip ring capsule assemblies for inertial guidance platforms

Eight slip ring capsules, each having 80 or 100 circuits, were operated for time periods ranging from 14,300 hours to 24,700 hours. The test mode simulated the motion of gimbal axes of the Saturn inertial guidance the platform in an organic free nitrogen environment. Computer-compiled noise data (approximately 45,000 recordings) were graphed as a function of test time and position within the capsules and as extreme probability distributions. Greater than ninety-nine percent of the noise measurements for the capsules with sufficient lubrication were less than 10 milliohms. Capsules with glass dielectrics did not perform significantly differently than those with filled epoxy dielectrics. The initial wear mode of prow formation was followed by rider wear. After 10 to the 8th power wipes, ring wear depth did not exceed the surface finish and the radial rider wear depth was less than 13 microns.

Cole, S. R.↗
NASA NTRS1985

Method for determining the point of zero zeta potential of semiconductor

A method to determine the potential of zero charge of an unpowdered semiconductor material is presented. The semiconductor material is used as the working electrode of a standard three electrode photoelectrochemical cell. The onset potential of the semiconductor material is measured at several different cell temperatures. The slope of the graph of onset potential versus temperature is used to compute the potential of zero charge.

Reichman, B.↗
NASA NTRS1976

Earth-atmosphere system and surface reflectivities in arid regions from LANDSAT multispectral scanner measurements

Programs for computing atmospheric transmission and scattering solar radiation were used to compute the ratios of the Earth-atmosphere system (space) directional reflectivities in the vertical direction to the surface reflectivity, for the four bands of the LANDSAT multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa and Central America from the spectral radiance levels measured by the LANDSAT MSS. From these space reflectivities, surface vertical reflectivities were computed applying the pertinent graphs. These surface reflectivities were used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory measurements.

Otterman, J.↗
NASA NTRS1976

Earth-atmosphere system and surface reflectivities in arid regions from Landsat MSS data

Previously developed programs for computing atmospheric transmission and scattering of the solar radiation are used to compute the ratios of the earth-atmosphere system (space) directional reflectivities in the nadir direction to the surface Lambertian reflectivity, for the four bands of the Landsat multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa, and Central America from the spectral radiance levels measured by the Landsat MSS. From these space reflectivities, surface reflectivities are computed applying the pertinent graphs. These surface reflectivities are used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory and in situ measurements.

Otterman, J.↗
NASA NTRS1992

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.↗
DOE OSTI2025

Physics-Informed Graph Neural Networks for Collaborative Dynamic Reconfiguration and Voltage Regulation in Unbalanced Distribution Systems

Network reconfiguration has long been employed as a strategic approach to minimize power distribution system losses and effectively regulate voltage levels. Tap-changing voltage regulators are also critical for controlling bus voltages, especially in accommodating the increasing integration of distributed energy resources (DERs) with intermittent outputs. This paper introduces novel methodologies to address the challenges of dynamic reconfiguration and optimal tap setting in unbalanced three-phase distribution systems. We propose an approximated mixed-integer quadratically constrained program (MIQCP) to model dynamic reconfiguration, along with a pioneering formulation for voltage regulator (VR) tap-setting based on Special Ordered Set type 1 (SOS1). To mitigate computational complexity, we propose a physics-informed spatial-temporal graph convolutional network (STGCN) with an integrated link classifier. The proposed approach enables efficient solution generation by fixing specific variables in the MIQCP instance and solving the simplified sub-MIP using an MIP solver. Numerical studies demonstrate the superior prediction accuracy of our STGCN model compared to baseline neural network models, resulting in reduced DER curtailment and voltage deviation with shorter computation time.

dynamic reconfiguration↗
DOE OSTI2024

Data-flow parallelism for high-energy and nuclear physics computing frameworks

The processing tasks of a scientific workflow in high-energy and nuclear physics (HENP) can typically be represented as a directed acyclic graph formed according to the data flow—i.e. the data dependencies among algorithms executed as part of the workflow. With this representation, an HENP computing framework can optimally execute a workflow, exploiting the parallelism inherent among independent tasks. Despite such a natural description of a workflow, most HENP frameworks do not make use of technologies that provide concurrent execution of graph-based tasking structures. In this session, we describe Fermilab efforts to adopt a graph-based technology (specifically Intel’s oneTBB flow graph) for meeting the framework needs of its experiments, notably DUNE. After introducing the physics DUNE intends to explore, we will show that all common processing idioms supported by current HENP frameworks can naturally be supported by oneTBB’s data-flow technology, optimally leveraging the concurrent capabilities of the machine. In addition, we discuss collaborative efforts between Fermilab and the Intel oneTBB development team, who is considering improvements to the flow-graph technology to better support HENP use cases.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Role of the chiral anomaly in polarized deeply inelastic scattering. III. Wess-Zumino-Witten contributions and chiral Ward identities for finite quark mass

We extend our prior results on the worldline computation of the axial vector-vector-vector (AVV) triangle anomaly in polarized deeply inelastic scattering (DIS) to the finite mass case by computing in addition the pseudoscalar-vector-vector (PVV) triangle graph. For the well-studied QED case, we show explicitly how the off-forward AVV pole exactly cancels an identical PVV pole. We then demonstrate the dramatic difference in QCD due to the chiral condensate, which qualitatively modifies anomalous Ward identities. As in the massless case, the anomaly pole in QCD is canceled by the dynamics of a primordial isosinglet pseudoscalar η ¯ -meson, whose Wess-Zumino-Witten coupling to the topological charge density shifts the pole to the physical η ′ mass, with the finite quark mass contribution differing by O ( 10 % ) from the Witten-Veneziano formula. We obtain a compact analytic expression for the finite mass corrections to Shore and Veneziano’s result that the proton’s net quark helicity Δ Σ ∝ χ QCD ′ | m = 0 ( 0 ) , the forward slope of the topological susceptibility in the chiral limit, and show they are of the order of a few percentages. Our prior prediction that the polarized DIS structure function g 1 is quenched by sphaleronlike topological transitions at small x is unaffected by quark mass effects. Our results illustrate how worldline computations of anomalous processes, in synergy with lattice computations and nonet chiral perturbation theory, can uncover novel nonperturbative features of QCD at the Electron-Ion Collider. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1975

Computer graphics for management: An abstract of capabilities and applications of the EIS system

The Executive Information Services (EIS) system, developed as a computer-based, time-sharing tool for making and implementing management decisions, and including computer graphics capabilities, was described. The following resources are available through the EIS languages: centralized corporate/gov't data base, customized and working data bases, report writing, general computational capability, specialized routines, modeling/programming capability, and graphics. Nearly all EIS graphs can be created by a single, on-line instruction. A large number of options are available, such as selection of graphic form, line control, shading, placement on the page, multiple images on a page, control of scaling and labeling, plotting of cum data sets, optical grid lines, and stack charts. The following are examples of areas in which the EIS system may be used: research, estimating services, planning, budgeting, and performance measurement, national computer hook-up negotiations.

Solem, B. J.↗
NASA NTRS1993

The alignment-distribution graph

Implementing a data-parallel language such as Fortran 90 on a distributed-memory parallel computer requires distributing aggregate data objects (such as arrays) among the memory modules attached to the processors. The mapping of objects to the machine determines the amount of residual communication needed to bring operands of parallel operations into alignment with each other. We present a program representation called the alignment distribution graph that makes these communication requirements explicit. We describe the details of the representation, show how to model communication cost in this framework, and outline several algorithms for determining object mappings that approximately minimize residual communication.

Chatterjee, Siddhartha↗
DOE OSTI2024

IRIS-GNN: Leveraging Graph Neural Networks for Scheduling on Truly Heterogeneous Runtime Systems

The diversity of accelerators in computer systems poses significant challenges for software developers, such as managing vendor-specific compiler toolchains, code fragmentation requiring different kernel implementations, and performance portability issues. To address these, the Intelligent Runtime System (IRIS) was developed. IRIS works across various systems, from smartphones to supercomputers, enabling automatic performance scaling based on available accelerators. It introduces abstract tasks for seamless execution transitions between accelerators while ensuring memory consistency and task dependencies. Although IRIS simplifies system details, optimal dynamic scheduling still requires user input to understand workload structures. To address this, we introduce a new scheduling policy for IRIS, termed IRIS-GNN, which is the first IRIS hybrid policy that operates in conjunction with the dynamic policies. This policy employs a Graph-Neural Network (GNN) to conduct Graph Classification of any task graphs submitted to IRIS. This GNN analyzes the structure and attributes of the task graph, categorizing it as either locality, concurrency, or mixed. This classification subsequently guides the selection of the dynamic policy used by IRIS. We provide a comparison of the performance of IRIS-GNN against the complete spectrum of IRIS’s dynamic policies, assess the overhead introduced by the GNN within this scheduling framework, and ultimately explore its practical application in real-world scenarios.

Johnston, Beau↗
NASA NTRS1993

The alignment-distribution graph

Implementing a data-parallel language such as Fortran 90 on a distributed-memory parallel computer requires distributing aggregate data objects (such as arrays) among the memory modules attached to the processors. The mapping of objects to the machine determines the amount of residual communication needed to bring operands of parallel operations into alignment with each other. We present a program representation called the alignment-distribution graph that makes these communication requirements explicit. We describe the details of the representation, show how to model communication cost in this framework, and outline several algorithms for determining object mappings that approximately minimize residual communication.

Chatterjee, Siddhartha↗
NASA NTRSDate not supplied

Contact Multigraph Routing: Overview and Implementation

In Delay Tolerant Networking (DTN), the standard routing algorithm used to navigate time-varying networks has been Contact Graph Routing (CGR). In CGR, a globally distributed list of contacts, periods during which two DTN nodes may communicate, is used to construct a contact graph, in which contacts are vertices. A version of Dijkstra’s algorithm can then be used to find paths through this model of the timevarying network. However, since contact graphs may be large compared to the network, potentially growing with the square of the number of network nodes and linearly with the time interval represented, the resulting algorithm does not scale well with the size of the network or time. Any improvement to the routing algorithm will bring significant returns to scale. In a previous paper, we briefly introduced an alternative to the contact graph model for routing. This alternative model is based on a multigraph (a graph in which there may be multiple edges between a pair of vertices) where vertices represent network nodes instead of contacts. A version of Dijkstra’s algorithm in these multigraph models reduces the time needed to perform the same routing computations done in the existing CGR algorithm. Moreover, a modified version of Yen’s algorithm for multigraphs is included. Our variation of CGR, which we call Contact Multigraph Routing (CMR), provides an in-line replacement for the previously used pathfinding algorithms. This paper describes an implementation created based on the CMR approach, and experimental comparisons to traditional CGR are given. In addition, we explore some additional modifications to the routing pipeline traditionally assumed in CGR. These modifications range from the theoretical to the practical in terms of size and scope. We step forward our understanding of sheaftheoretic networking and describe how to model the routing pipeline using sheaves. We detail some enhanced route selection criteria that addresses some of the added complexity of DTNbased systems. We also include a future works section on future improvements and implementations that would be of service to the broader DTN community.

contact graph routing↗
DOE OSTI2026

buhito

buhito is a Python library for graph analysis and machine learning. Graphs can represent networks with objects as nodes and their relationships as edges. buhito focuses on graphlet methods that study graphs through enumerating their component subgraphs to enable interpretable and fast models of complex systems. The package provides tools for different algorithmic designs for computing, analyzing, and applying graphlets to research problems such as machine learning, data compression, and anomaly detection in graph-structured data. A central feature is performing decomposition data analysis on graphs for machine learning models. Implemented in Python and built upon open-source scientific libraries such as NetworkX, NumPy, and SciPy, buhito provides high-performance methods for researchers exploring the mathematical and computational foundations of graphlet analysis applicable to systems of different sizes.

Pimonova, Yulia↗
DOE OSTI2024

Computational Approaches for Clean Energy Materials

Currently, 80% of the global final energy consumption occurs in form of fuels and only 20% as electricity. On the other hand, renewable energy additions come almost exclusively in the form of electricity (dominantly photovoltaics and wind). Thus, a successful energy transition will require enormous growth in renewables, sufficient to convert excess electricity into fuels, as well as the development of non-electricity based solar fuel technologies. As much as photovoltaic capacities have grown over the past 20 years, it is far from clear that current technologies and materials are up to the task to grow from here by yet another factor 100 until 2050. Therefore, sustained research efforts on emerging inorganic semiconductors for solar electricity and fuels are essential for facing the double challenge of climate change and energy security. Computational materials science can make important contributions, guiding and supporting research activities through both materials search and discovery and through detailed studies that help to develop a mechanistic understanding of materials performance and bottlenecks. This presentation will highlight three recent computational projects with relevance for photovoltaics and solar fuels (1) Defect graph neural networks (dGNN) for materials discovery in solar thermochemical hydrogen (STCH) [1]. The dGNN approach facilitates broad and fast materials screening for defect properties. (2) Modeling highly off-stoichiometric systems by evaluating the free energy of defect interaction [2]. This approach allows quantitative prediction of H2 production in complex STCH oxides. (3) First-principles atomic structure prediction for interfaces [3]. This work showed how an atomically thin CdCl2 interlayer phase enables in principle ideal electron transport across the incommensurate SnO2/CdTe interface. [1] M.D. Witman, A. Goyal, T. Ogitsu, A.H. McDaniel, S. Lany, Nat. Comput. Sci. (2023). https://doi.org/10.1038/s43588-023-00495-2. [2] A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024). https://doi.org/10.1103/PRXEnergy.3.013008. [3] A. Sharan, M. Nardone, D. Krasikov, N. Singh, S. Lany, Appl. Phys. Rev. 9, 041411 (2022). https://doi.org/10.1063/5.0104008.

density functional theory↗