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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Toward simulating quantum field theories with controlled phonon-ion dynamics: A hybrid analog-digital approach

Quantum field theories are the cornerstones of modern physics, providing relativistic and quantum mechanical descriptions of physical systems at the most fundamental level. Simulating real-time dynamics within these theories remains elusive in classical computing. This provides a unique opportunity for quantum simulators, which hold the promise of revolutionizing our simulation capabilities. Trapped-ion systems are successful quantum-simulator platforms for quantum many-body physics and can operate in digital, or gate-based, and analog modes. Inspired by the progress in proposing and realizing quantum simulations of a number of relativistic quantum field theories using trapped-ion systems, and by the hybrid analog-digital proposals for simulating interacting boson-fermion models, we propose hybrid analog-digital quantum simulations of selected quantum field theories, taking recent developments to the next level. On one hand, the semi-digital nature of this proposal offers more flexibility in engineering generic model interactions compared with a fully-analog approach. On the other hand, encoding the bosonic fields onto the phonon degrees of freedom of the trapped-ion system allows a more efficient usage of simulator resources, and a more natural implementation of intrinsic quantum operations in such platforms. This opens up new ways for simulating complex dynamics of e.g., Abelian and non-Abelian gauge theories, by combining the benefits of digital and analog schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1995

A Comparison of Multivariable Control Design Techniques for a Turbofan Engine Control

This paper compares two previously published design procedures for two different multivariable control design techniques for application to a linear engine model of a jet engine. The two multivariable control design techniques compared were the Linear Quadratic Gaussian with Loop Transfer Recovery (LQG/LTR) and the H-Infinity synthesis. The two control design techniques were used with specific previously published design procedures to synthesize controls which would provide equivalent closed loop frequency response for the primary control loops while assuring adequate loop decoupling. The resulting controllers were then reduced in order to minimize the programming and data storage requirements for a typical implementation. The reduced order linear controllers designed by each method were combined with the linear model of an advanced turbofan engine and the system performance was evaluated for the continuous linear system. Included in the performance analysis are the resulting frequency and transient responses as well as actuator usage and rate capability for each design method. The controls were also analyzed for robustness with respect to structured uncertainties in the unmodeled system dynamics. The two controls were then compared for performance capability and hardware implementation issues.

Garg, Sanjay↗
NASA NTRS2015

Trajectory Dispersion Control for the Cassini Grand Finale Mission

The Cassini Grand Finale Mission, which consists of 22 ballistic orbits, will begin on April 22, 2017 after the last targeted Titan flyby. It will end on September 15, 2017 when the spacecraft dives into Saturn's atmosphere and be permanently captured. High volumes of unique science data from various onboard instruments are expected from the mission. To ensure its success and facilitate science planning, the trajectory dispersion needs to be controlled below 250 km (root-mean-square spatial deviation at the 68th percentile level) for a few segments of trajectory in the mission. This paper reports the formulation and solution of this dispersion control problem. We consider various sources of uncertainties including flyby error, orbit determination error, maneuver execution error, thruster firing control error, and uncertainty in Saturn's atmospheric model. A non-linear Monte Carlo Trajectory Dispersion tool is developed and employed for the analysis. It is found that a total of three Orbit Trim Maneuvers with a 99% (Delta)V usage of less than 2 m/s will adequately control the trajectory.

orbit determination↗
DOE OSTI2025

Electrical and Thermal Load Impacts of Three District Heating and Cooling Designs for an Existing Community in Washington, DC

District energy systems that provide building heating and cooling are a promising option to provide low-cost, energy efficient heating and cooling solutions for communities. As some buildings move to electrified heating designs, there may be significant increases in electric grid demand, particularly in the winter. District energy systems may be able to help reduce these high electrical demands on the electric grid, while also providing decreased overall energy consumption with an increased flexibility in electrical energy usage. To evaluate and compare district options for district-based heating and cooling, an existing neighborhood of Washington, DC consisting of 35 existing buildings was selected as a case study. This study models and compares a fourth generation (4G) district heating and cooling systems that provide hot and chilled water from a central plant directly to each prosumer and a fifth generation (5G) district heating and cooling systems that provide near-ambient water via geothermal boreholes to interface with an energy transfer station with a heat pump at each prosumer. These district systems are compared against a baseline of the non-connected buildings with their self-contained and current HVAC systems. The neighborhood was selected as a good candidate for a district system for its diversity of loads (mix of different commercial and property types) and the availability of building characteristics. URBANopt District Energy Systems (DES) was used to model the buildings and create initial Modelica models for the district systems. Finally, the DES models were tuned and simulated in Dymola, and the outputs were post-processed for verification and to calculate the electrical and thermal grid impact metrics. This is the first documentation of this workflow and its complete analysis. The three designed systems are compared via their grid metrics including: total energy consumption, electrical demand peak loads, daily peak-to-valley ratios, and system ramping. A detailed discussion is provided about how each system impacts and interacts with the electric grid.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Archi: Agentic Operations at the CMS Experiment

We present Archi, an open-source, end-to-end framework for scientific collaborations that combines the systematic ingestion and organization of heterogeneous data sources with the deployment of configurable, private, and extensible agents that retrieve and reason over them. An instance of Archi has been deployed for the Computing Operations team of the CMS experiment at CERN's LHC since February 2026 as a support agent for technical operators, offering retrieval and analysis capabilities by combining documentation, historical data, and live monitoring systems. We evaluate the system on operator feedback and a question set collected from production usage, graded by human and automated panels. The system proves effective at operational tasks, resolving real-world queries posed by CMS operators. We also observe that locally-hosted, open-weight models perform competitively, enabling fully private management of sensitive data.

Lugato, Pietro [MIT; CERN]↗
DOE OSTI2024

Enhancing Lattice Kinetic Schemes for Fluid Dynamics with Lattice-Equivariant Neural Networks

A new class of equivariant neural networks is presented, hereby dubbed lattice-equivariant neural networks (LENNs), designed to satisfy local symmetries of a lattice structure. The approach develops within a recently introduced framework aimed at learning neural network-based surrogate models’ lattice Boltzmann collision operators. Whenever neural networks are employed to model physical systems, respecting symmetries and equivariance properties has been shown to be key for accuracy, numerical stability, and performance. Here, hinging on ideas from group representation theory, trainable layers are defined whose algebraic structure is equivariant with respect to the symmetries of the lattice cell. In this work, the presented method naturally allows for efficient implementations, in terms of both memory usage and computational costs, supporting scalable training/testing for lattices in two spatial dimensions and higher (in which the size of symmetry group grows). The approach is validated and tested considering 2D and 3D flowing dynamics, both in laminar and turbulent regimes. It is compared with group-averaged-based symmetric networks and with plain, nonsymmetric, networks, showing how the presented approach unlocks the (a posteriori) accuracy and training stability of the former models and the train/inference speed of the latter networks. (LENNs are about one order of magnitude faster than group-averaged networks in 3D.) The work in this paper opens toward practical use of machine learning-augmented lattice Boltzmann CFD in real-world simulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2015

Developing a Crew Time Model for Human Exploration Missions to Mars

Candidate human missions to Mars require mission lengths that could extend beyond those that have previously been demonstrated during crewed Lunar (Apollo) and International Space Station (ISS) missions. The nature of the architectures required for deep space human exploration will likely necessitate major changes in how crews operate and maintain the spacecraft. The uncertainties associated with these shifts in mission constructs - including changes to habitation systems, transit durations, and system operations - raise concerns as to the ability of the crew to complete required overhead activities while still having time to conduct a set of robust exploration activities. This paper will present an initial assessment of crew operational requirements for human missions to the Mars surface. The presented results integrate assessments of crew habitation, system maintenance, and utilization to present a comprehensive analysis of potential crew time usage. Destination operations were assessed for a short (approx. 50 day) and long duration (approx. 500 day) surface habitation case. Crew time allocations are broken out by mission segment, and the availability of utilization opportunities was evaluated throughout the entire mission progression. To support this assessment, the integrated crew operations model (ICOM) was developed. ICOM was used to parse overhead, maintenance and system repair, and destination operations requirements within each mission segment - outbound transit, Mars surface duration, and return transit - to develop a comprehensive estimation of exploration crew time allocations. Overhead operational requirements included daily crew operations, health maintenance activities, and down time. Maintenance and repair operational allocations are derived using the Exploration Maintainability and Analysis Tool (EMAT) to develop a probabilistic estimation of crew repair time necessary to maintain systems functionality throughout the mission.

Battfeld, Bryan↗
DOE OSTI2024

Short-depth QAOA circuits and quantum annealing on higher-order ising models

Abstract We present a direct comparison between QAOA (Quantum Alternating Operator Ansatz), and QA (Quantum Annealing) on 127 qubit problem instances. QAOA with p = 1, 2 rounds is executed on the 127 qubit heavy-hex graph gate-model quantum computer ibm_washington, using on-device grid-searches for angle finding, and QA is executed on two Pegasus-chip D-Wave quantum annealers. The problems are random Ising models whose connectivity matches heavy-hex graphs and the Pegasus graph connectivity, and optionally include hardware-compatible cubic terms ( Z Z Z terms). The QAOA circuits are heavily optimized and of extremely short depth, with a CNOT depth of 6 per round, which allows whole chip usage of the heavy-hex lattice. QAOA and QA are both compared against simulated annealing and the optimal solutions are computed exactly using CPLEX. The noiseless mean QAOA expectation values for p = 1, 2 are computed using classical light-cone based simulations. We find QA outperforms QAOA on the evaluated devices.

127 qubits↗
NASA NTRS2018

NASA Electronic Parts and Packaging (NEPP) Program: Resources for SmallSats on EEE Parts

From the outside looking in, the NEPP program supports NASA's traditional approach to providing electrical, electronic, and electromechanical (EEE) assurance for space missions. Standards (military and commercial) for EEE parts are based on risk averse methodologies, drive higher costs and schedules, and, in general, provide devices that significantly lag behind commercial devices in performance aspects (speed, power efficiency, etc...). This is NOT the model most small missions realistically can use. However, when you look behind the curtain, NEPP has been considering the risk trade space for small missions for over five years and has consistently provided resources that the small mission regime would find useful. In this paper, we provide a brief overview of these resources as well as NEPP's current research/development efforts that are relevant. While we'll primarily discuss radiation assurance related issues such as data availability and usage, assurances processes for not only the radiation effects side, but also the EEE parts reliability will be touched upon.

Electrical↗
DOE OSTI2020

Genetic circuit characterization by inferring RNA polymerase movement and ribosome usage

To perform their computational function, genetic circuits change states through a symphony of genetic parts that turn regulator expression on and off. Debugging is frustrated by an inability to characterize parts in the context of the circuit and identify the origins of failures. Here, we take snapshots of a large genetic circuit in different states: RNA-seq is used to visualize circuit function as a changing pattern of RNA polymerase (RNAP) flux along the DNA. Together with ribosome profiling, all 54 genetic parts (promoters, ribozymes, RBSs, terminators) are parameterized and used to inform a mathematical model that can predict circuit performance, dynamics, and robustness. The circuit behaves as designed; however, it is riddled with genetic errors, including cryptic sense/antisense promoters and translation, attenuation, incorrect start codons, and a failed gate. While not impacting the expected Boolean logic, they reduce the prediction accuracy and could lead to failures when the parts are used in other designs. Finally, the cellular power (RNAP and ribosome usage) required to maintain a circuit state is calculated. This work demonstrates the use of a small number of measurements to fully parameterize a regulatory circuit and quantify its impact on host.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Orthorhombic Structures as Inorganic Halide Perovskite Models for High-Throughput DFT Investigations

Although high-symmetry Pm-3m space group cubic models are computationally efficient for high-throughput density functional theory (DFT) calculations of inorganic ternary (ABX 3 ) halide perovskites (HPs), they frequently predict band gaps (E g ) that disagree with experiment. Conversely, while low-symmetry cubic polymorphous networks (PN) comprised of 160 to 320 atoms incur significantly greater computational cost, they predict E g ’s that are more closely aligned with experiment. Here, in this study, we compare the DFT total energies and E g ’s predicted by four high-symmetry structure models (Pnma orthorhombic, R3m trigonal, P4/mbm tetragonal, and Pm-3m cubic) to cubic PNs for 5 experimentally characterized ternary HPs and find that the orthorhombic model computes Eg’s with the smallest MAD of 0.23 eV relative to the PNs. Pair distribution functions and DFT-computed total energies show that octahedral tilting, which is present in the 20-atom orthorhombic and 160-atom cubic PN models but not in the 5-atom cubic models, stabilizes all 5 compositions in our benchmarking set. We also find that imposing PN constraints when generating and optimizing these orthorhombic structures by fixing the unit cell lattice vectors and displacing the atoms prior to ionic relaxation with DFT, which we call the orthorhombic surrogate model (OSM), lowers the MAD of E g predictions to 0.09 eV. Our OSM predicts the PN band gaps of an additional 95 theoretical inorganic ternary HPs with MAD of 0.08 eV, supporting its usage in high-throughput DFT investigations to closely estimate PN band gaps with much less computational expense.

14 SOLAR ENERGY↗
NASA NTRS1990

IDEF4 technical report, version 1.0

A language for the representation of object oriented software designs is described. IDEF4, a methodology for object-oriented design, is being developed as a design tool for software designers who use such object-oriented languages. Such languages include the Common LISP Object System, Flavors, C++, Smalltalk, Objective C, and others. Since effective usage of the object-oriented paradigm requires a different thought process than that used with conventional procedural or database languages, standard methodologies such as structure charts, data flow diagrams, and traditional data design models (hierarchical, relational, and network) are not sufficient. IDEF4 seeks to provide the necessary facilities to support the object-oriented design decision making process. Specifically, the two primary design goals of IDEF4 are: (1) to provide support for creating object oriented designs whose implementations will exhibit desirable life cycle qualities and reduce total implementation development time; and (2) to make it easy to evaluate object oriented code to determine whether or not the delivered product both conforms to the design and exhibits the desired life cycle qualities. The application of IDEF4 in the life cycle of a software development project is intended to be focused on those activities after a decision has been made to employ object oriented programming technology, but prior to detailed code specification.

Mayer, Richard J.↗
NASA NTRS1994

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Bittker, David A.↗
DOE OSTI2020

Generation and evaluation of synthetic patient data

Background: Machine learning (ML) has made a significant impact in medicine and cancer research; however, its impact in these areas has been undeniably slower and more limited than in other application domains. A major reason for this has been the lack of availability of patient data to the broader ML research community, in large part due to patient privacy protection concerns. High-quality, realistic, synthetic datasets can be leveraged to accelerate methodological developments in medicine. By and large, medical data is high dimensional and often categorical. These characteristics pose multiple modeling challenges. Methods: In this paper, we evaluate three classes of synthetic data generation approaches; probabilistic models, classification-based imputation models, and generative adversarial neural networks. Metrics for evaluating the quality of the generated synthetic datasets are presented and discussed. Results: While the results and discussions are broadly applicable to medical data, for demonstration purposes we generate synthetic datasets for cancer based on the publicly available cancer registry data from the Surveillance Epidemiology and End Results (SEER) program. Specifically, our cohort consists of breast, respiratory, and non-solid cancer cases diagnosed between 2010 and 2015, which includes over 360,000 individual cases. Conclusions: We discuss the trade-offs of the different methods and metrics, providing guidance on considerations for the generation and usage of medical synthetic data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Integrating Energy-Efficient Computing with Computational Research to Accelerate Energy Technology

NREL's computational sciences center hosts the largest high performance computing (HPC) capabilities dedicated to energy research while functioning as a living laboratory for energy-efficient computing. NREL's HPC capabilities support the research needs of the Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE). In ten years of operation, HPC use in EERE-sponsored research has grown by a factor of 30, including work in electricity generation, energy efficiency, transportation, and energy system modeling. This paper analyzes this research portfolio, providing examples of individual use cases. The paper documents NREL's history of operating one of the world's most energy-efficient data centers while examining pathways to reduce economic and environmental impact beyond reduction of Power Usage Efficiency (PUE). This paper concludes by examining the unique opportunities created for accelerating improvements in data center efficiency created by combining an HPC system dedicated to energy research and a research program in energy-efficient computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

The need to consider regional supply chains and water usage in H 2 –steel transition

The iron and steel industry is one of the largest contributors to U.S. and global greenhouse gas emissions. Hydrogen can act as a promising reducing agent and clean energy carrier to decarbonize this sector, and has received significant attention in terms of process modelling, techno-economic analysis, and life cycle assessment in recent years. Policy incentives, hydrogen storage and transportation, and water stress levels are key factors that require significantly more consideration in order to realize hydrogen’s potential to decarbonize this industry. This review demonstrates the need for a systematic understanding and critical assessment of these areas, and their profound impacts on the decarbonization of the iron and steel sector. Furthermore, hydrogen and water supply face competition from other hard-to-decarbonize sectors, which should be considered on national and regional levels. Lastly, future research should also consider the impact of other environmental factors and hydrogen leak when deploying hydrogen at scale for industrial decarbonization.

Green steel↗
NASA NTRS1985

Development and usage of a small-scale V/STOL ground effects simulator

A small scale ground effects simulator for V/STOL aircraft design testing has been built by an American university in association with NASA-AMES. The simulator is used to measure pressures and forces on a wide variety of V/STOL model configurations including generic models which do not represent any particular aircraft. The modes of operation and instrumentation of the simulator are described, and a survey of some recent test results are presented. The basic simulator consists of two parts, an aluminum disk ground plane and a model support. Instrumentation consists of pressure transducers, scanivalves, thermocouples and hot wire anemometers. Test results are presented for single and twin nozzle configurations; a generic V/STOL design, and the Harrier and Grumman 698 combat aircraft models. A black and white photograph of the simulator is provided.

Lord, P. A.↗
DOE OSTI2020

Advanced data science toolkit for non-data scientists – A user guide

Emerging modern data analytics attracts much attention in materials research and shows great potential for enabling data-driven design. Data populated from the high-throughput CALPHAD approach enables researchers to better understand underlying mechanisms and to facilitate novel hypotheses generation, but the increasing volume of data makes the analysis extremely challenging. Here in this paper, we introduce an easy-to-use, versatile, and open-source data analytics frontend, ASCENDS (Advanced data SCiENce toolkit for Non-Data Scientists), designed with the intent of accelerating data-driven materials research and development. The toolkit is also of value beyond materials science as it can analyze the correlation between input features and target values, train machine learning models, and make predictions from the trained surrogate models of any scientific dataset. Various algorithms implemented in ASCENDS allow users performing quantified correlation analyses and supervised machine learning to explore any datasets of interest without extensive computing and data science background. The detailed usage of ASCENDS is introduced with an example of experimental high-temperature alloy data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗