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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 361 records · Page 20

Fractionation of moderately volatile elements in ordinary chondrites

The CI chondrites are the most volatile-rich meteorites. Relative to the CI chondrites, the ordinary chondrites have lower abundances of refractory and volatile elements. Four types of fractionations are summarized in a table. Ordinary-chondrite/CI abundance ratios for moderately volatile elements in H- and L-group chondrites are presented in a graph. Possible explanations for the observed relations are considered, giving attention to several processes which could result in the separation of nebular solids and gases.

Wasson, J. T.↗

Rotor burst protection program: Experimentation to provide guidelines for the design of turbine rotor burst fragment containment rings

Empirical guidelines for the design of minimum weight turbine rotor disk fragment containment rings made from a monolithic metal were generated by experimentally establishing the relationship between a variable that provides a measure of containment ring capability and several other variables that both characterized the configurational aspects of the rotor fragments and containment ring, and had been found from exploratory testing to have had significant influence on the containment process. Test methodology and data analysis techniques are described. Results are presented in graphs and tables.

Mangano, G. J.↗

LANDSAT-D Investigations Workshop

The objectives and methods used to determine the performance of the LANDSAT-D thematic mapper radiometric and geometric sensors are depicted in graphs and charts. Other aspects illustrated include ground and flight segment TM geometric processing and early access TM processing.

Source record↗

Optical processing of imaging spectrometer data

The data-processing problems associated with imaging spectrometer data are reviewed; new algorithms and optical processing solutions are advanced for this computationally intensive application. Optical decision net, directed graph, and neural net solutions are considered. Decision nets and mineral element determination of nonmixture data are emphasized here. A new Fisher/minimum-variance clustering algorithm is advanced, initialization using minimum-variance clustering is found to be preferred and fast. Tests on a 500-class problem show the excellent performance of this algorithm.

Liu, Shiaw-Dong↗

Near-infrared absorption spectra of (O-16)3 and (O-18)3 - Adiabatic energy of the 1A2 state?

The band positions and isotope shifts for the weak vibronic bands of O3 near 1 micron are determined experimentally using a low-resolution dual-beam absorption spectrometer with a 0.2-m holographic-grating monochromator and identical absorption chambers of volume about 600 cu cm and optical path length 46 cm. The experimental setup and procedures and the signal-processing methods applied are described, and the results are presented in tables and graphs. It is found that the adiabatic energy of the 1A2 state lies 9990 + or - 70/cm (1.24 + or - 0.01 eV) above the electronic ground state, close to the O + O2 dissociation limit. The applicability of the present results to studies of O3 in the upper atmosphere is indicated.

Anderson, S. M.↗

Automated Adversary Emulation for Cyber-Physical Systems via Reinforcement Learning

Adversary emulation is an offensive exercise that provides a comprehensive assessment of a system’s resilience against cyber attacks. However, adversary emulation is typically a manual process, making it costly and hard to deploy in cyber-physical systems (CPS) with complex dynamics, vulnerabilities, and operational uncertainties. In this paper, we develop an automated, domain-aware approach to adversary emulation for CPS. We formulate a Markov Decision Process (MDP) model to determine an optimal attack sequence over a hybrid attack graph with cyber (discrete) and physical (continuous) components and related physical dynamics. We apply model-based and model-free reinforcement learning (RL) methods to solve the discrete-continuous MDP in a tractable fashion. As a baseline, we also develop a greedy attack algorithm and compare it with the RL procedures. We summarize our findings through a numerical study on sensor deception attacks in buildings to compare the performance and solution quality of the proposed algorithms.

Bhattacharya, Arnab↗

Requirement Discovery Using Embedded Knowledge Graph with ChatGPT

The field of Advanced Air Mobility (AAM) is witnessing a transformation with innovations such as electric aircraft and increasingly automated airspace operations. Within AAM, the Urban Air Mobility (UAM) concept focuses on providing air-taxi services in densely populated urban areas. This research introduces the utilization of Large Language Models (LLMs), such as OpenAI's GPT-4, to enhance the UAM Requirement discovery process. This study explores two distinct approaches to leverage LLMs in the context of UAM Requirement discovery. The first approach evaluates the LLM's ability to provide responses without relying on additional outside systems, such as a relational or graph database. Instead, a vector store provides relevant information to the LLM based on the user’s question, a process known as Retrieval Augmented Generation (RAG). The second approach integrates the LLM with a graph database. The LLM acts as an intermediary between the user and the graph database, translating user questions into cypher queries for the database and database responses into human-readable answers for the user. Our team implemented and tested both solutions to analyze requirements within a UAM dataset. This paper will talk about our approaches, implementations, and findings related to both approaches.

systems engineering↗

Requirement Discovery Using Embedded Knowledge Graph With ChatGPT

The field of Advanced Air Mobility (AAM) is witnessing a transformation with innovations such as electric aircraft and increasingly automated airspace operations. Within AAM, the Urban Air Mobility (UAM) con-cept focuses on providing air-taxi services in densely populated urban areas. This research introduces the utilization of Large Language Models (LLMs), such as OpenAI's GPT-4, to enhance the UAM Requirement discovery process. This study explores two distinct approaches to leverage LLMs in the context of UAM Requirement discovery. The first approach evaluates the LLM's ability to provide responses without relying on additional outside systems, such as a relational or graph database. Instead, a vector store provides relevant information to the LLM based on the user’s question, a process known as Retrieval Augmented Generation (RAG). The second approach integrates the LLM with a graph database. The LLM acts as an intermediary between the user and the graph database, translating user questions into cypher queries for the database and database responses into human-readable answers for the user. Our team implemented and tested both solutions to analyze require-ments within a UAM dataset. This paper will talk about our approaches, implementations, and findings related to both approaches.

systems engineering↗

Requirement Discovery Using Embedded Knowledge Graph With ChatGPT - Poster

The field of Advanced Air Mobility (AAM) is witnessing a transformation with innovations such as electric aircraft and increasingly automated airspace operations. Within AAM, the Urban Air Mobility (UAM) con-cept focuses on providing air-taxi services in densely populated urban areas. This research introduces the utilization of Large Language Models (LLMs), such as OpenAI's GPT-4, to enhance the UAM Requirement discovery process. This study explores two distinct approaches to leverage LLMs in the context of UAM Requirement discovery. The first approach evaluates the LLM's ability to provide responses without relying on additional outside systems, such as a relational or graph database. Instead, a vector store provides relevant information to the LLM based on the user’s question, a process known as Retrieval Augmented Generation (RAG). The second approach integrates the LLM with a graph database. The LLM acts as an intermediary between the user and the graph database, translating user questions into cypher queries for the database and database responses into human-readable answers for the user. Our team implemented and tested both solutions to analyze require-ments within a UAM dataset. This paper will talk about our approaches, implementations, and findings related to both approaches.

systems engineering↗

Finding Maximum Cliques on the D-Wave Quantum Annealer

This work assesses the performance of the D-Wave 2X (DW) quantum annealer for finding a maximum clique in a graph, one of the most fundamental and important NP-hard problems. Because the size of the largest graphs DW can directly solve is quite small (usually around 45 vertices), we also consider decomposition algorithms intended for larger graphs and analyze their performance. For smaller graphs that fit DW, we provide formulations of the maximum clique problem as a quadratic unconstrained binary optimization (QUBO) problem, which is one of the two input types (together with the Ising model) acceptable by the machine, and compare several quantum implementations to current classical algorithms such as simulated annealing, Gurobi, and third-party clique finding heuristics. We further estimate the contributions of the quantum phase of the quantum annealer and the classical post-processing phase typically used to enhance each solution returned by DW. We demonstrate that on random graphs that fit DW, no quantum speedup can be observed compared with the classical algorithms. On the other hand, for instances specifically designed to fit well the DW qubit interconnection network, we observe substantial speed-ups in computing time over classical approaches.

97 MATHEMATICS AND COMPUTING↗

Distributed-Memory Fast Maximal Independent Set

The Maximal Independent Set (MIS) graph problem arises in many applications such as computer vision, information theory, molecular biology, and process scheduling. The growing scale of MIS problems suggests the use of distributed-memory hardware as a cost-effective approach to providing necessary compute and memory resources. Luby proposed four randomized algorithms to solve the MIS problem. All those algorithms are designed focusing on shared-memory machines and are analyzed using the PRAM model. These algorithms do not have direct efficient distributed-memory implementations. In this paper, we extend two of Luby’s seminal MIS algorithms, “Luby(A)” and “Luby(B),” to distributed-memory execution, and we evaluate their performance. We compare our results with the “Filtered MIS” implementation in the Combinatorial BLAS library for two types of synthetic graph inputs.

distributed memory parallel↗

Understanding Discrete Fracture Networks Through Spectral Graph Theory

Discrete Fracture Network models (DFNs) are used to simulate fluid flow and particle transport through fracture networks in low permeability rock. Understanding these processes are essential in many subsurface applications, such as environmental restoration of contaminated fractured media, CO 2 sequestration, detection of low-level nuclear tests, and hydrocarbon extraction. Compared with other models, DFNs allow for incorporation of a wider range of network characteristics but have substantially greater computation cost. These networks can be represented with graphs, allowing the use of graph theory tools to study the networks. I used Python to simulate flow and transport on a range of DFNs and analyzed these networks using methods from network analysis and spectral graph theory. My purpose was to find ways to gain insight about flow and transport on DFNs using these graph representations, bypassing the computationally intensive meshing typically required. My work is still in progress, but I have discovered several interesting trends and patterns that I believe could be useful towards my goal. If I am able to bring these results to fruition, they will aid subsurface geologists in extracting flow and transport information about fracture networks more efficiently.

54 ENVIRONMENTAL SCIENCES↗

Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Significant advancements have been made in one of the most critical branches of artificial intelligence: natural language processing (NLP). These advancements are exemplified by the remarkable success of OpenAI’s GPT-3.5/4 and the recent release of GPT-4.5, which have sparked a global surge of interest akin to an NLP gold rush. Here, in this article, we offer our perspective on the development and application of NLP and large language models (LLMs) in materials science. We begin by presenting an overview of recent advancements in NLP within the broader scientific landscape, with a particular focus on their relevance to materials science. Next, we examine how NLP can facilitate the understanding and design of novel materials and its potential integration with other methodologies. To highlight key challenges and opportunities, we delve into three specific topics: (i) the limitations of LLMs and their implications for materials science applications, (ii) the creation of a fully automated materials discovery pipeline, and (iii) the potential of GPT-like tools to synthesize existing knowledge and aid in the design of sustainable materials.

36 MATERIALS SCIENCE↗

A Heterogeneity-Aware Task Scheduler for Spark

Big data processing systems such as Spark are employed in an increasing number of diverse applications-such as machine learning, graph computation, and scientific computing-each with dynamic and different resource needs. These applications increasingly run on heterogeneous hardware, e.g., with out-of-core accelerators. However, big data platforms do not factor in the multi-dimensional heterogeneity of applications and hardware. This leads to a fundamental mismatch between the application and hardware characteristics, and the resource scheduling adopted in big data platforms. For example, Hadoop and Spark consider only data locality when assigning tasks to nodes, and typically disregard the hardware capabilities and suitability to specific application requirements. In this paper, we present RUPAM, a heterogeneity-aware task scheduling system for big data platforms, which considers both task-level resource characteristics and underlying hardware characteristics, as well as preserves data locality. RUPAM adopts a simple yet effective heuristic to decide the dominant scheduling factor (e.g., CPU, memory, or I/O), given a task in a particular stage. Our experiments show that RUPAM is able to improve the performance of representative applications by up to 62.3% compared to the standard Spark scheduler.

Computer Science↗

Resource Aware Intelligent Network Services (RAINS) Final Technical Report

The Resource Aware Intelligent Network Services (RAINS) project conducted research and developed technologies in the area of cyber infrastructure resource modeling and computation. The goal of this work was to provide a foundation to enable intelligent, software defined services which spanned the network AND the resources which connect to the network. A Multi-Resource Service Plane (MRSP) was defined, which allows resource owners/managers to locate and place themselves from a topology and service availability perspective within the dynamic networked cyberinfrastructure ecosystem. The MRSP enables the presentation of integrated topology views and computation results which can include resources across the spectrum of compute, storage, and networks. The RAINS project developed MSRP includes the following key components: i) Multi-Resource Service (MRS) Ontology/Multi-Resource Markup Language (MRML), ii) Resource Computation Engine (RCE), iii) Modular Driver Framework (to allow integration of a variety of external resources). The MRS/MRML is a general and extensible modeling framework that allows for resource owners to model, or describe, a wide variety of resource types. All resources are described using three categories of elements: Resources, Services, and Relationships between the elements. This modeling framework defines a common method for the transformation of cyber infrastructure resources into data in the form of MRML models. In order to realize this infrastructure datification, the RAINS project developed a model based computation system, i.e. “RAINS Computation Engine (RCE)”. The RCE has the ability to ingest, process, integrate, and compute based on automatically generated MRML models. The RCE interacts with the resources thru system drivers which are specific to the type of external network or resource controller. The RAINS project developed a modular and pluggable driver system which facilities a variety of resource controllers to automatically generate, maintain, and distribute MRML based resource descriptions. Once all of the resource topologies are absorbed by the RCE, a connected graph of the full distributed system topology is constructed, which forms the basis for computation and workflow processing. The RCE includes a Modular Computation Element (MCE) framework which allows for tailoring of the computation process to the specific set of resources under control, and the services desired. The input and output of an MCE are both model data based on MRS/MRML ontology and schema. Some of the RAINS project accomplishments include: Development of general and extensible multi-resource modeling framework; Design of a Resource Computation Engine (RCE) system which includes the following key capabilities; Absorb a variety of multi-resource model types and build integrated models; Novel architecture which uses model based communications across the full stack for all Flexible provision of abstract or intent based user facing interfaces; Workflow processing based on model descriptions; Release of the RCE as an open source software; Deployment of RCE in the University of Maryland/Mid-Atlantic Crossroad ScienceDMZ in prototype mode with a plan under way to transition to production; Deployment at the Argonne National Laboratory DTN Facility in prototype mode; Selection of RCE by the DOE SENSE (SDN for End-to-end Networked Science at the Exascale) project as the basis for their orchestration service.

97 MATHEMATICS AND COMPUTING↗

Automated Realistic Testbed Synthesis for Power System Communication Networks based on Graph Metrics

Communication networks are integral to modern power grid operations and are becoming increasingly critical as grid dynamics speed up and as more controls become closed-loop in form. Focusing on the interdependence between the physical grid and the communication system, we identify several key characteristics and typical graph properties based on analysis of a real communication system for a power grid. Moreover, an automated process was provided for synthetic testbed in the NS-3 simulator for the power system test case, and its network characteristics have been further derived for power system monitoring and control applications

Graph Analysis, Synthetic Testbed, communication n↗

RE-INTEGRATE EMT Simulation Tool: Input Data Processing Layer for Bulk Power System

This paper introduces an advanced input data processing layer for EMT simulations of large-scale bulk power systems. The paper proposes two versions of the RE-INTEGRATE EMT simulation tool, RE-INTEGRATE Gen-0 and RE-INTEGRATE Gen-1, which are developed to enhance simulation generalizability, scalability, and accuracy. The framework leverages a generic class design for components to incorporate linear equations, which are generated by discretizing the Differential-Algebraic Equations (DAEs) that represent the dynamics of the components. In addition, the framework employs a parsing algorithm that parses a power system’s raw and dyr files to generate a connectivity graph which is then traversed to form the overall system’s dynamics. The proposed input data processing layer is used to simulate the IEEE 39-bus test system. The obtained results demonstrate the framework’s capability to achieve simulation scalability and accuracy. Further, the results indicate that EMT simulations performed using the proposed automations can effectively handle complex grid configurations.

Mishra, Rahul [ORNL] (ORCID:0000000328205932)↗

Scalable statistical inference of photometric redshift via data subsampling

Handling big data has largely been a major bottleneck in traditional statistical models. Consequently, when accurate point prediction is the primary target, machine learning models are often preferred over their statistical counterparts for bigger problems. But full probabilistic statistical models often outperform other models in quantifying uncertainties associated with model predictions. We develop a data-driven statistical modeling framework that combines the uncertainties from an ensemble of statistical models learned on smaller subsets of data carefully chosen to account for imbalances in the input space. We demonstrate this method on a photometric redshift estimation problem in cosmology, which seeks to infer a distribution of the redshift—the stretching effect in observing the light of far-away galaxies—given multivariate color information observed for an object in the sky. Our proposed method performs balanced partitioning, graph-based data subsampling across the partitions, and training of an ensemble of Gaussian process models.

data subsampling↗