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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Molecular Modeling and Molecular Dynamics Simulation of a Packed and Intact Bacterial Microcompartment

Bacterial microcompartments (BMCs) are protein-bound organelles found in some bacteria which encapsulate enzymes for enhanced catalytic activity. These compartments spatially sequester enzymes within semipermeable shell proteins and are packed full of enzyme cargoes and metabolites as they fulfill their function. Coupling together recent SAXS and proteomics work, it is possible to develop molecular models for these microcompartments and interrogate enzyme and metabolite dynamics within. Our primary goal of this study is to quantify the permeability of metabolite glyceraldehyde-3-phosphate (G3P) and dihydroxyacetone phosphate (DHAP) across the BMC shell through classical molecular dynamics simulation. The Haliangium ochraceum model of BMC shell (PDB: 6MZX) was used to model an intact BMC of approximately 10 million atoms. Working at this scale presented its own challenges in managing large data sets, with multiple challenges and hardware advances discussed that facilitated this work. Over approximately 750 ns of aggregate simulation, we see multiple permeation events for these metabolites that were added at high concentration through the pores present within BMC shell tiles. When compared to independent permeability estimates for the same metabolites determined through replica exchange umbrella sampling simulations, the permeabilities varied by approximately 3 orders of magnitude. Regardless, the permeability coefficients for both G3P and DHAP are highly similar and very high, such that only very small concentration gradients can be maintained across the BMC shell between the cytosol and BMC interior. The large simulation systems also facilitated comparisons for molecular diffusivity in the crowded environment within the BMC shell. By our estimates, the viscosity within a packed BMC shell is at least 10-fold higher than it would be in neat solution and is the real driver for varying permeability estimates we obtained through simulation. These findings will be used as design inputs for future bioengineering efforts to make products from BMCs, highlighting how permeable BMC shells can be.

Diffusion↗
DOE OSTI2020

Addressing qubits with a software-defined radio FPGA (Full Technical Final Report)

Superconducting transmons can be configured as qubits and can also be used for weak signal axion searches. During a prior LDRD (17-ERD-006), a robust capability for system simulation and analysis, algorithm development, algorithm to FPGA workflow and experimental measurements was developed. During that project it was determined that a new software-defined radio FPGA would be a significant improvement in cost, simplicity, and software maintainability over the X6-1000M FPGA plus RF front-end system that had been used. In this Feasibility Study, we successfully developed the interface to the new NI USRP-2954R SDR platform, generated and optimized the VHDL of the existing algorithms, and experimentally tested the new FPGA system on real qubit in the laboratory. These tests showed it had the same SNR on weak measurements as the prior FPGA.

42 ENGINEERING↗
DOE OSTI2026

From Rules to Reasoning: A Survey of Large Language Model-Based Approaches to Scientific Hypothesis and Idea Generation

Scientific hypothesis generation represents a fundamental challenge in contemporary research due to exponentially expanding literature volumes and increasing disciplinary specialization. Large language models (LLMs) have emerged as transformative tools for automated scientific discovery, moving beyond traditional rule-based and literature-mining approaches. Four paradigmatic approaches define current LLM-driven hypothesis generation: direct prompting and fine-tuning methods, knowledge-enhanced frameworks integrating retrieval-augmented generation (RAG), multi-agent collaborative systems simulating research teams, and reasoning-focused approaches implementing cognitive architectures. Domain-specific applications demonstrate statistical equivalence to human expert performance in social psychology, experimental validation in biomedical research, and near-expert quality in astronomy. Evaluation methodologies encompass human expert assessment, LLM-as-judge frameworks, and comprehensive benchmarking systems. Technical challenges include hallucination management, knowledge integration limitations, and balancing novelty with feasibility. Future directions emphasize hybrid neural-symbolic architectures and sophisticated human-AI collaboration models for responsible scientific discovery acceleration.

AI-driven discovery↗
DOE OSTI2020

The Cloud-resolving model Radar SIMulator (CR-SIM) Version 3.3: description and applications of a virtual observatory

Ground-based observatories use multi-sensor observations to characterize cloud and precipitation properties. One of the challenges is how to design strategies to best use these observations to understand these properties and evaluate weather and climate models. This paper introduces the Cloud resolving model Radar SIMulator (CR-SIM), which uses output from high-resolution cloud resolving models (CRMs) to emulate multi-wavelength, zenith-pointing, and scanning radar observables and multi-sensor (radar and lidar) products. CR-SIM allows direct comparison between an atmospheric model simulation and remote-sensing products using a forward-modeling framework consistent with the microphysical assumptions used in the atmospheric model. CR-SIM has the flexibility to easily incorporate additional microphysical modules, such as microphysical schemes and scattering calculations, and expand the applications to simulate multi-sensor retrieval products. In this paper, we present several applications of CR-SIM for evaluating the representativeness of cloud microphysics and dynamics in a CRM, quantifying uncertainties in radar-lidar integrated cloud products and multi-Doppler wind retrievals, and optimizing radar sampling strategy using observing system simulation experiments. These applications demonstrate the application of CR-SIM as a virtual observatory operator on high-resolution model output for a consistent comparison between model results and observations to aid interpretation of the differences and improve understanding of the representativeness errors due to the sampling limitations of the ground-based measurements. CR-SIM is licensed under the GNU GPL package and both the software and the user guide are publicly available to the scientific community.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1988

NASA Shuttle Training Aircraft flight simulation overview

The Shuttle Training Aircraft (STA) is a variable stability, variable control law flying simulator used by NASA/JSC to train astronauts in the final landing phase of a Space Shuttle Orbiter. A general outline is given for the STA flight simulation system. An overview is given of the software generation and verification process through the Advanced Validation System (AVAS). The flight test techniques for software verification will be reviewed and the process for releasing the software for flight training will be covered. The astronaut STA training syllabus is examined. Parameter matching with the Orbiter in the final approach phase of de-orbit and landing is briefly examined. Simulation performance will be assessed against flight data, performance measurement, and cue synchronization.

Justiz, Charles R.↗
NASA NTRS2006

Aerocapture Technologies

Aeroassist technology development is a vital part of the NASA In-Space Propulsion Technology (ISPT) Program. One of the main focus areas of ISPT is aeroassist technologies through the Aerocapture Technology (AT) Activity. Within the ISPT, the current aeroassist technology development focus is aerocapture. Aerocapture relies on the exchange of momentum with an atmosphere to achieve thrust, in this case a decelerating thrust leading to orbit capture. Without aerocapture, a substantial propulsion system would be needed on the spacecraft to perform the same reduction of velocity. This could cause reductions in the science payload delivered to the destination, increases in the size of the launch vehicle (to carry the additional fuel required for planetary capture) or could simply make the mission impossible due to additional propulsion requirements. The AT is advancing each technology needed for the successful implementation of aerocapture in future missions. The technology development focuses on both rigid aeroshell systems as well as the development of inflatable aerocapture systems, advanced aeroshell performance sensors, lightweight structure and higher temperature adhesives. Inflatable systems such as tethered trailing ballutes ('balloon parachutes'), clamped ballutes, and inflatable aeroshells are also under development. Aerocapture-specific computational tools required to support future aerocapture missions are also an integral part of the ATP. Tools include: engineering reference atmosphere models, guidance and navigation, aerothermodynamic modeling, radiation modeling and flight simulation. Systems analysis plays a key role in the AT development process. The NASA in-house aerocapture systems analysis team has been taken with multiple systems definition and concept studies to complement the technology development tasks. The team derives science requirements, develops guidance and navigation algorithms, as well as engineering reference atmosphere models and aeroheating specifications. The study team also creates designs for the overall mission spacecraft. Presentation slides are provided to further describe the aerocapture project.

Keys, Andrew S.↗
NASA NTRS2009

Experimental and Analytical Performance of a Dual Brayton Power Conversion System

The interactions between two closed Brayton cycle (CBC) power conversion units (PCU) which share a common gas inventory and heat source have been studied experimentally using the Dual Brayton Power Conversion System (DBPCS) and analytically using the Closed- Cycle System Simulation (CCSS) computer code. Selected operating modes include steady-state operation at equal and unequal shaft speeds and various start-up scenarios. Equal shaft speed steady-state tests were conducted for heater exit temperatures of 840 to 950 K and speeds of 50 to 90 krpm, providing a system performance map. Unequal shaft speed steady-state testing over the same operating conditions shows that the power produced by each Brayton is sensitive to the operating conditions of the other due to redistribution of gas inventory. Startup scenarios show that starting the engines one at a time can dramatically reduce the required motoring energy. Although the DBPCS is not considered a flight-like system, these insights, as well as the operational experience gained from operating and modeling this system provide valuable information for the future development of Brayton systems.

Lavelle, Thomas A.↗
DOE OSTI2022

GIGA-Lens: Fast Bayesian Inference for Strong Gravitational Lens Modeling

We present GIGA-Lens: a gradient-informed, GPU-accelerated Bayesian framework for modeling strong gravitational lensing systems, implemented in TensorFlow and JAX. The three components, optimization using multistart gradient descent, posterior covariance estimation with variational inference, and sampling via Hamiltonian Monte Carlo, all take advantage of gradient information through automatic differentiation and massive parallelization on graphics processing units (GPUs). We test our pipeline on a large set of simulated systems and demonstrate in detail its high level of performance. The average time to model a single system on four Nvidia A100 GPUs is 105 s. The robustness, speed, and scalability offered by this framework make it possible to model the large number of strong lenses found in current surveys and present a very promising prospect for the modeling of ${ \mathcal O }({10}^{5})$ lensing systems expected to be discovered in the era of the Vera C. Rubin Observatory, Euclid, and the Nancy Grace Roman Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2010

The Habitat Demonstration Unit System Integration

The Lunar Surface System Habitat Demonstration Unit (HDU) will require a project team to integrate a variety of contributions from National Aeronautics and Space Administration (NASA) centers and potential outside collaborators and poses a challenge in integrating these disparate efforts into a cohesive architecture. To accomplish the development of the first version of the HDU, the Pressurized Excursion Module (PEM), from conception in June 2009 to rollout for operations in July 2010, the HDU project team is using several strategies to mitigate risks and bring the separate efforts together. First, a set of design standards is being developed to define the interfaces between the various systems of PEM and to the payloads, such as the Geology Laboratory, that those systems will support. Scheduled activities such as early fit-checks and the utilization of a habitat avionics test bed prior to equipment installation into HDU PEM are planned to facilitate the integration process. A coordinated effort to establish simplified Computer Aided Design (CAD) standards and the utilization of a modeling and simulation systems will aid in design and integration concept development. Finally, decision processes on the shell development including the assembly sequence and the transportation have been fleshed out early on HDU design to maximize the efficiency of both integration and field operations.

Gill, Tracy R.↗
NASA NTRS2007

Opposed Jet Burner Extinction Limits: Simple Mixed Hydrocarbon Scramjet Fuels vs Air

Opposed Jet Burner tools have been used extensively by the authors to measure Flame Strength (FS) of laminar non-premixed H2 air and simple hydrocarbon (HC) air counterflow diffusion flames at 1-atm. FS represents a strain-induced extinction limit based on air jet velocity. This paper follows AIAA-2006-5223, and provides new HC air FSs for global testing of chemical kinetics, and for characterizing idealized flameholding potentials during early scramjet-like combustion. Previous FS data included six HCs, pure and N2-diluted; and three HC-diluted H2 fuels, where FS decayed very nonlinearly as HC was added to H2, due to H-atom scavenging. This study presents FSs on mixtures of (candidate surrogate) HCs, some with very high FS ethylene. Included are four binary gaseous systems at 300 K, and a hot ternary system at approx. 600 K. The binaries are methane + ethylene, ethane + ethylene, methane + ethane, and methane + propylene. The first three also form two ternary systems. The hot ternary includes both 10.8 and 21.3 mole % vaporized n-heptane and full ranges of methane + ethylene. Normalized FS data provide accurate means of (1) validating, globally, chemical kinetics for extinction of non-premixed flames, and (2) estimating (scaling by HC) the loss of incipient flameholding in scramjet combustors. The n-heptane is part of a proposed baseline simulant (10 mole % with 30% methane + 60% ethylene) that mimics the ignition of endothermically cracked JP-7 like kerosene fuel, as suggested by Colket and Spadaccini in 2001 in their shock tube Scramjet Fuels Autoignition Study. Presently, we use FS to gauge idealized flameholding, and define HC surrogates. First, FS was characterized for hot nheptane + methane + ethylene; then a hot 36 mole % methane + 64% ethylene surrogate was defined that mimics FS of the baseline simulant system. A similar hot ethane + ethylene surrogate can also be defined, but it has lower vapor pressure at 300 K, and thus exhibits reduced gaseous capacity. The new FS results refine our earlier idealized reactivity scale that shows wide ranging (50 x) diameter-normalized FSs for various HCs. These range from JP-10 and methane to H2 air, which produces an exceptionally strong flame that agrees within approx. 1% of recent 2-D numerically simulations. Finally, we continue advocating the FS approach as more direct and fundamental, for assessing idealized scramjet flameholding potentials, than measurements of unstrained laminar burning velocity or blowout in a Perfectly Stirred Reactor.

Pellett, Gerald L.↗
NASA NTRS1994

Fuzzy-neural control of an aircraft tracking camera platform

A fuzzy-neural control system simulation was developed for the control of a camera platform used to observe aircraft on final approach to an aircraft carrier. The fuzzy-neural approach to control combines the structure of a fuzzy knowledge base with a supervised neural network's ability to adapt and improve. The performance characteristics of this hybrid system were compared to those of a fuzzy system and a neural network system developed independently to determine if the fusion of these two technologies offers any advantage over the use of one or the other. The results of this study indicate that the fuzzy-neural approach to control offers some advantages over either fuzzy or neural control alone.

Mcgrath, Dennis↗
NASA NTRS2006

Performance and Operational Characteristics for a Dual Brayton Space Power System With Common Gas Inventory

This paper provides an analytical evaluation on the operation and performance of a dual Brayton common gas system. The NASA Glenn Research Center in-house computer program Closed Cycle System Simulation (CCSS) was used to construct a model of two identical 50 kWe-class recuperated closed-Brayton-cycle (CBC) power conversion units that share a common gas inventory and single heat source. As operating conditions for each CBC change, the total gas inventory is redistributed between the two units and overall system performance is affected. Several steady-state off-design operating points were analyzed by varying turbine inlet temperature and turbo-alternator shaft rotational speed to investigate the interaction of the two units.

Johnson, Paul K.↗
NASA NTRS2011

Performance Testing of a Liquid Metal Pump for In-Space Power Systems

Fission surface power (FSP) systems could be used to provide power on the surface of the moon, Mars, or other planets and moons of our solar system. Fission power systems could provide excellent performance at any location, including those near the poles or other permanently shaded regions, and offer the capability to provide on demand power at any time, even at large distances from the sun. Fission-based systems also offer the potential for outposts, crew and science instruments to operate in a power-rich environment. NASA has been exploring technologies with the goal of reducing the cost and technical risk of employing FSP systems. A reference 40 kWe option has been devised that is cost-competitive with alternatives while providing more power for less mass anywhere on the lunar surface. The reference FSP system is also readily extensible for use on Mars, where it would be capable of operating through global dust storms and providing year-round power at any Martian latitude. Detailed development of the FSP concept and the reference mission are documented in various other reports. The development discussed in this paper prepares the way for testing of the Technology Demonstration Unit (TDU), which is a 10 kWe end-to-end test of FSP technologies intended to raise the entire FSP system to technology readiness level (TRL) 6. The Early Flight Fission Test Facility (EFF-TF) was established by NASA s Marshall Space Flight Center (MSFC) to provide a capability for performing hardware-directed activities to support multiple in-space nuclear reactor concepts by using a nonnuclear test methodology. This includes fabrication and testing at both the module/component level and at near prototypic reactor components and configurations allowing for realistic thermal-hydraulic evaluations of systems. The liquid-metal pump associated with the FSP system must be compatible with the liquid NaK coolant and have adequate performance to enable a viable flight system. Idaho National Laboratory (INL) was tasked with the modeling, design, and fabrication of an ALIP suitable for the FSP reference mission. A prototypic ALIP was fabricated under the direction of INL and shipped to MSFC for inclusion in the Technology Demonstration Unit (TDU), a quarter-scale end-to-end reactor simulator system that is scheduled for testing at NASA-GRC. Before inclusion in the TDU, the ALIP was tested in the ALIP test circuit (ATC), which is a rig developed and operated at MSFC for the specific purpose of providing accurate quantification of liquid metal pump performance. Data showing the pump performance curves (pressure, flowrate, and pump efficiency) are presented for various operating power levels, demonstrating the full performance envelope of the pump.

Polzin, Kurt↗
NASA NTRS2016

Computational Investigation of a Boundary-Layer Ingesting Propulsion System for the Common Research Model

The present paper examines potential propulsive and aerodynamic benefits of integrating a Boundary-Layer Ingestion (BLI) propulsion system into a typical commercial aircraft using the Common Research Model (CRM) geometry and the NASA Tetrahedral Unstructured Software System (TetrUSS). The Numerical Propulsion System Simulation (NPSS) environment is used to generate engine conditions for CFD analysis. Improvements to the BLI geometry are made using the Constrained Direct Iterative Surface Curvature (CDISC) design method. Previous studies have shown reductions of up to 25% in terms of propulsive power required for cruise for other axisymmetric geometries using the BLI concept. An analysis of engine power requirements, drag, and lift coefficients using the baseline and BLI geometries coupled with the NPSS model are shown. Potential benefits of the BLI system relating to cruise propulsive power are quantified using a power balance method, and a comparison to the baseline case is made. Iterations of the BLI geometric design are shown and any improvements between subsequent BLI designs presented. Simulations are conducted for a cruise flight condition of Mach 0.85 at an altitude of 38,500 feet and an angle of attack of 2 deg for all geometries. A comparison between available wind tunnel data, previous computational results, and the original CRM model is presented for model verification purposes along with full results for BLI power savings. Results indicate a 14.4% reduction in engine power requirements at cruise for the BLI configuration over the baseline geometry. Minor shaping of the aft portion of the fuselage using CDISC has been shown to increase the benefit from Boundary-Layer Ingestion further, resulting in a 15.6% reduction in power requirements for cruise as well as a drag reduction of eighteen counts over the baseline geometry.

Blumenthal, Brennan T.↗
NASA NTRS2016

Computational Investigation of a Boundary-Layer Ingestion Propulsion System for the Common Research Model

This thesis will examine potential propulsive and aerodynamic benefits of integrating a boundary-layer ingestion (BLI) propulsion system with a typical commercial aircraft using the Common Research Model geometry and the NASA Tetrahedral Unstructured Software System (TetrUSS). The Numerical Propulsion System Simulation (NPSS) environment will be used to generate engine conditions for CFD analysis. Improvements to the BLI geometry will be made using the Constrained Direct Iterative Surface Curvature (CDISC) design method. Previous studies have shown reductions of up to 25% in terms of propulsive power required for cruise for other axisymmetric geometries using the BLI concept. An analysis of engine power requirements, drag, and lift coefficients using the baseline and BLI geometries coupled with the NPSS model are shown. Potential benefits of the BLI system relating to cruise propulsive power are quantified using a power balance method and a comparison to the baseline case is made. Iterations of the BLI geometric design are shown and any improvements between subsequent BLI designs presented. Simulations are conducted for a cruise flight condition of Mach 0.85 at an altitude of 38,500 feet and an angle of attack of 2deg for all geometries. A comparison between available wind tunnel data, previous computational results, and the original CRM model is presented for model verification purposes along with full results for BLI power savings. Results indicate a 14.3% reduction in engine power requirements at cruise for the BLI configuration over the baseline geometry. Minor shaping of the aft portion of the fuselage using CDISC has been shown to increase the benefit from boundary-layer ingestion further, resulting in a 15.6% reduction in power requirements for cruise as well as a drag reduction of eighteen counts over the baseline geometry.

Blumenthal, Brennan↗
NASA NTRS1994

Potential capabilities of Reynolds stress turbulence model in the COMMIX-RSM code

A Reynolds stress turbulence model has been implemented in the COMMIX code, together with transport equations describing turbulent heat fluxes, variance of temperature fluctuations, and dissipation of turbulence kinetic energy. The model has been verified partially by simulating homogeneous turbulent shear flow, and stable and unstable stratified shear flows with strong buoyancy-suppressing or enhancing turbulence. This article outlines the model, explains the verifications performed thus far, and discusses potential applications of the COMMIX-RSM code in several domains, including, but not limited to, analysis of thermal striping in engineering systems, simulation of turbulence in combustors, and predictions of bubbly and particulate flows.

Chang, F. C.↗
NASA NTRS2015

Modeling and Simulation of Vehicle Dynamics on the Surface of Phobos

In this paper we analyze the dynamics of a spacecraft in proximity of Phobos by developing the equations of motion of a test mass in the Phobos rotating frame using a model based on circularly-restricted three body problem, and by analyzing the dynamics of a ATHLETE hopper vehicle interacting with the soil under different soil-interaction conditions. The main conclusion of the numerical studies is that the system response is dominated by the stiffness and damping parameters of the leg springs, with the soil characteristics having a much smaller effect. The system simulations identify ranges of parameters for which the vehicle emerges stably (relying only on the passive viscoelastic damper at each leg) or unstably (needing active attitude control) from the hop. The implication is that further experimental and possibly computational modeling work, as well as site characterization (from precursor missions) will be necessary to obtain validated performance models.

soil-structure interaction↗