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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Computational Modeling of Multi-Phase/Multi-Species Flows with Applications to Liquid Rocket Engines

Accurate prediction of all physical phenomena in a combustion chamber is essential for better understanding of the system performance. Atomization, evaporation, combustion, chemical kinetics, and turbulence are those processes of great importance that need to be well understood. Processes involving the liquid phase in a combustion chamber will be further complicated under supercritical conditions. More advanced and accurate numerical techniques are required to extend our understanding of the above phenomena. A computer program for multi-species/multi-phase flow was developed for NASA/MSFC in 1992. This code, called Liquid Thrust Chamber Performance (LTCP) program takes an Eulerian- Eulerian approach and is based on the Total Variation Diminishing (TVD) technique with Lax-Friedrichs upwind method. Under the NASA/ASEE SFFP the LTCP code was used to predict the performance characteristics of several engines that were of particular interest to NASA. This code was also successful in a combustion detonation study. Converting the program to the PC platform was accomplished which extends usability and makes it available to a wider range of users. The Eulerian formulation of the liquid phase provides a suitable model that can be extended to include combustion modeling under supercritical conditions. The results have been compared against the ones of other codes and available measured data. The algorithm proved to be robust and efficient for problems with stiff source terms.

Navaz, Homayun K.↗
NASA NTRS2006

Computer Modeling of Thermal Convection in Melts to Explain Glass Formation in Low Gravity and on Earth

Experiments conducted up to this time on glass forming melts in the low gravity environment of space show that glasses prepared in low-g are more chemically homogeneous and more resistant to crystallization than the comparable glasses prepared at 1-g on Earth. This result is somewhat surprising and opposite to the accepted concept on glass formation for a melt. A hypothesis based on "shear thinning" of a melt, a decrease in viscosity with increasing shear stress, is proposed as an explanation for the observed low-gravity results. This paper describes detailed simulation procedures to test the role of thermal convection in introducing shear stress in glass forming melts, using a lithium disilcate melt as a model. The simulation system in its idealized version consists of a cylinder that is heated at one end and cooled at the other with gravity acting in a transverse direction to the thermal gradient. The side wall of the cylinder is assumed to be insulating. The governing equations of motion and energy are solved using variable properties for viscosity (Arrehenius and non-Arrehenius behaviors) and density (constant and temperature dependent). Other parametric variables in the calculations include gravity level and gravity vector orientation. The shear stress in the system are then computed as a function of gravity from the calculated values of maximum melt velocity, and its effect on melt viscosity (shear thinning) is predicted. Also included and discussed are the modeling efforts related to other potential convective processes in glass forming melts and their possible effects on melt viscosity.

Ray, Chandra S.↗
DOE OSTI2024

Computational modeling of coupled mechanical damage and electrochemistry in ternary oxide composite electrodes

Performance degradation of ternary layered oxide cathodes largely originates from their loss of structural integrity in cyclic usage. Mechanical damage, such as intergranular fracture of the active particles, is not only a mechanical cleavage process but also interferes with electrochemical kinetics such as infiltration of liquid electrolyte, surface corrosion of the constituent primary particles, and may eventually isolate the primary grains from the electron conducting network. Here, in this work, we develop a computational framework that integrates electrochemistry of a LiNi x Mn y Co 1−x−y O 2 (NMC) composite cathode with mechanical damage of the active particles. To fully examine the intricate chemomechanical behavior of the electrode, we evaluate the effects of the anisotropic material properties, the influence of mechanical potential on Li transport, and the concurrent intergranular fracture and electrolyte penetration along the grain boundaries upon multiple cycles. Electrolyte infiltration benefits capacity retention but aggravates further mechanical damage by corrosion. Structural failure mostly occurs in the first charging due to the anisotropic mechanical strain between the primary grains, while the resulting damage remains stable in the later few cycles. The results are consistent with experimental observations and the integration of electrochemistry and mechanical failure enables a step further understanding of the complex mechanism of battery degradation.

Battery degradation↗
NASA NTRS2010

A Mass Computation Model for Lightweight Brayton Cycle Regenerator Heat Exchangers

Based on a theoretical analysis of convective heat transfer across large internal surface areas, this paper discusses the design implications for generating lightweight gas-gas heat exchanger designs by packaging such areas into compact three-dimensional shapes. Allowances are made for hot and cold inlet and outlet headers for assembly of completed regenerator (or recuperator) heat exchanger units into closed cycle gas turbine flow ducting. Surface area and resulting volume and mass requirements are computed for a range of heat exchanger effectiveness values and internal heat transfer coefficients. Benefit cost curves show the effect of increasing heat exchanger effectiveness on Brayton cycle thermodynamic efficiency on the plus side, while also illustrating the cost in heat exchanger required surface area, volume, and mass requirements as effectiveness is increased. The equations derived for counterflow and crossflow configurations show that as effectiveness values approach unity, or 100 percent, the required surface area, and hence heat exchanger volume and mass tend toward infinity, since the implication is that heat is transferred at a zero temperature difference. To verify the dimensional accuracy of the regenerator mass computational procedure, calculation of a regenerator specific mass, that is, heat exchanger weight per unit working fluid mass flow, is performed in both English and SI units. Identical numerical values for the specific mass parameter, whether expressed in lb/(lb/sec) or kg/(kg/sec), show the dimensional consistency of overall results.

Juhasz, Albert J.↗
NASA NTRS2010

A Mass Computation Model for Lightweight Brayton Cycle Regenerator Heat Exchangers

Based on a theoretical analysis of convective heat transfer across large internal surface areas, this paper discusses the design implications for generating lightweight gas-gas heat exchanger designs by packaging such areas into compact three-dimensional shapes. Allowances are made for hot and cold inlet and outlet headers for assembly of completed regenerator (or recuperator) heat exchanger units into closed cycle gas turbine flow ducting. Surface area and resulting volume and mass requirements are computed for a range of heat exchanger effectiveness values and internal heat transfer coefficients. Benefit cost curves show the effect of increasing heat exchanger effectiveness on Brayton cycle thermodynamic efficiency on the plus side, while also illustrating the cost in heat exchanger required surface area, volume, and mass requirements as effectiveness is increased. The equations derived for counterflow and crossflow configurations show that as effectiveness values approach unity, or 100 percent, the required surface area, and hence heat exchanger volume and mass tend toward infinity, since the implication is that heat is transferred at a zero temperature difference. To verify the dimensional accuracy of the regenerator mass computational procedure, calculation of a regenerator specific mass, that is, heat exchanger weight per unit working fluid mass flow, is performed in both English and SI units. Identical numerical values for the specific mass parameter, whether expressed in lb/(lb/sec) or kg/ (kg/sec), show the dimensional consistency of overall results.

Juhasz, Albert J.↗
NASA NTRS2000

Computer Modeling of Real-Time Dynamic Lighting

Space Station tasks involve procedures that are very complex and highly dependent on the availability of visual information. In many situations, cameras are used as tools to help overcome the visual and physical restrictions associated with space flight. However, these cameras are effected by the dynamic lighting conditions of space. Training for these is conditions is necessary. The current project builds on the findings of an earlier NRA funded project, which revealed improved performance by humans when trained with computer graphics and lighting effects such as shadows and glare.

Maida, James C.↗
NASA NTRS1994

Computer modeling of the sensitivity of a laser water vapor sensor to variations in temperature and air speed

Currently, there is disagreement among existing methods of determining atmospheric water vapor concentration at dew-points below -40 C. A major source of error is wall effects which result from the necessity of bringing samples into the instruments. All of these instruments also have response times on the order of seconds. NASA Langley is developing a water vapor sensor which utilizes the absorption of the infrared radiation produced by a diode laser to estimate water vapor concentration. The laser beam is directed through an aircraft window to a retroreflector located on an engine. The reflected beam is detected by an infrared detector located near the laser. To maximize signal to noise, derivative signals are analyzed. By measuring the 2f/DC signal and correcting for ambient temperature, atmospheric pressure and air speed (which results in a Doppler shifting of the laser beam), the water vapor concentration can be retrieved. Since this is an in situ measurement there are no wall effects and measurements can be made at a rate of more than 20 per second. This allows small spatial variations of water vapor to be studied. In order to study the sensitivity of the instrument to variations in temperature and air speed, a computer program which generated the 2f, 3f, 4f, DC and 2f/DC signals of the instrument as a function of temperature, pressure and air speed was written. This model was used to determine the effect of errors in measurement of the temperature and air speed on the measured water vapor concentration. Future studies will quantify the effect of pressure measurement errors, which are expected to be very small. As a result of these studied, a retrieval algorithm has been formulated, and will be applied to data taken during the PEM-West atmospheric science field mission. Spectroscopic studies of the water vapor line used by the instrument will be used to refine this algorithm. To prepare for these studies, several lasers have been studied to determine their output frequency range and power.

Tucker, George F.↗
NASA NTRS2007

Computational Modeling Develops Ultra-Hard Steel

Glenn Research Center's Mechanical Components Branch developed a spiral bevel or face gear test rig for testing thermal behavior, surface fatigue, strain, vibration, and noise; a full-scale, 500-horsepower helicopter main-rotor transmission testing stand; a gear rig that allows fundamental studies of the dynamic behavior of gear systems and gear noise; and a high-speed helical gear test for analyzing thermal behavior for rotorcraft. The test rig provides accelerated fatigue life testing for standard spur gears at speeds of up to 10,000 rotations per minute. The test rig enables engineers to investigate the effects of materials, heat treat, shot peen, lubricants, and other factors on the gear's performance. QuesTek Innovations LLC, based in Evanston, Illinois, recently developed a carburized, martensitic gear steel with an ultra-hard case using its computational design methodology, but needed to verify surface fatigue, lifecycle performance, and overall reliability. The Battelle Memorial Institute introduced the company to researchers at Glenn's Mechanical Components Branch and facilitated a partnership allowing researchers at the NASA Center to conduct spur gear fatigue testing for the company. Testing revealed that QuesTek's gear steel outperforms the current state-of-the-art alloys used for aviation gears in contact fatigue by almost 300 percent. With the confidence and credibility provided by the NASA testing, QuesTek is commercializing two new steel alloys. Uses for this new class of steel are limitless in areas that demand exceptional strength for high throughput applications.

Source record↗
DOE OSTI2024

Computational Modeling of CO2 Capture By Novel PIM-RU in a Fluidized Bed Riser

The interest in carbon capture, storage, and utilization (CCUS) has increased significantly in the past few decades as it can help mitigate the threat of global warming caused by substantial increase in CO2 emissions due to anthropogenic activities. Although several CO2 capture technologies have been developed, porous solid sorbents, which adsorb CO2 by physisorption, are considered promising candidates for post-combustion CO2 capture because of the easier recovery of adsorbed CO2 and high material stability. Some prominent types of porous solid sorbents are metal-organic frameworks (MOFs), Zeolite, mesoporous silica, and polymer-based sorbents (e.g., polymers with intrinsic microporosity or PIM). Oak Ridge National Laboratory (ORNL) recently developed a novel PIM-based sorbent, referred to here as PIM-RU. The main objective of this work is to investigate the CO2 capture performance of this sorbent using computational fluid dynamics (CFD). While process configuration and reactor design are open questions, a fluidized bed riser was selected as the contactor type for this study.

Aziz, Hossain↗
NASA NTRS2006

Computer Modeling of Protocellular Functions: Peptide Insertion in Membranes

Lipid vesicles became the precursors to protocells by acquiring the capabilities needed to survive and reproduce. These include transport of ions, nutrients and waste products across cell walls and capture of energy and its conversion into a chemically usable form. In modem organisms these functions are carried out by membrane-bound proteins (about 30% of the genome codes for this kind of proteins). A number of properties of alpha-helical peptides suggest that their associations are excellent candidates for protobiological precursors of proteins. In particular, some simple a-helical peptides can aggregate spontaneously and form functional channels. This process can be described conceptually by a three-step thermodynamic cycle: 1 - folding of helices at the water-membrane interface, 2 - helix insertion into the lipid bilayer and 3 - specific interactions of these helices that result in functional tertiary structures. Although a crucial step, helix insertion has not been adequately studied because of the insolubility and aggregation of hydrophobic peptides. In this work, we use computer simulation methods (Molecular Dynamics) to characterize the energetics of helix insertion and we discuss its importance in an evolutionary context. Specifically, helices could self-assemble only if their interactions were sufficiently strong to compensate the unfavorable Free Energy of insertion of individual helices into membranes, providing a selection mechanism for protobiological evolution.

Rodriquez-Gomez, D.↗
NASA NTRS2020

Cross-Cutting Computational Modeling Project: Exploration Medical Station Analysis

Astronauts will be away from Earth-based medical care for long periods during future exploration missions. Thus, it will be necessary for the astronauts to perform various medical tasks to monitor and maintain their health in the microgravity environment of space. Performance of these tasks will be constrained due to the limited volume available to perform the task, the absence of gravity and the limited resources and capabilities available in the medical work area. It is therefore necessary to evaluate exploration medical workstation designs for how well the designs will support crew performance of medical tasks. This evaluation featured two trained medical caregivers (99th percentile male, 26th percentile female) performing emergent care procedures (alone and in tandem) on a medical manikin. The procedures came from the The procedures came from the International Space Station Medical Checklist, and they are designed for spaceflight. The objectives of the evaluation included determining the operational volume required to perform the tasks, examining the effect of constraining the operational volume with partitions, determining candidate locations for foot restraints and equipment placements and determining the effect of single vs. dual caregiver on the operational volume.A marker-based motion capture system collected the motion data, which enabled computation of operational volumes and foot placement maps using custom Python code. Additional data collected included heart rate, time to perform the procedures, and feedback from the caregivers in the form of the NASA Task Load Index (TLX), the US Government System Usability Survey, and an open-ended questionnaire.

Christopher A Gallo↗
DOE OSTI2024

Augmenting a Simulation Campaign for Hybrid Computer Model and Field Data Experiments

The Kennedy and O’Hagan (KOH) calibration framework uses coupled Gaussian processes (GPs) to meta-model an expensive simulator (first GP), tune its “knobs” (calibration inputs) to best match observations from a real physical/field experiment and correct for any modeling bias (second GP) when predicting under new field conditions (design inputs). There are well-established methods for placement of design inputs for data-efficient planning of a simulation campaign in isolation, that is, without field data: space-filling, or via criterion like minimum integrated mean-squared prediction error (IMSPE). Analogues within the coupled GP KOH framework are mostly absent from the literature. Here, in this study, we derive a closed form IMSPE criterion for sequentially acquiring new simulator data for KOH. We illustrate how acquisitions space-fill in design space, but concentrate in calibration space. Closed form IMSPE precipitates a closed-form gradient for efficient numerical optimization. We demonstrate that our KOH-IMSPE strategy leads to a more efficient simulation campaign on benchmark problems, and conclude with a showcase on an application to equilibrium concentrations of rare earth elements for a liquid–liquid extraction reaction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Computational Modeling of Water Infiltration From Ditches Into Roadway Embankments

Ditches are built along roadways to convey the stormwater runoff. They collect the runoff from the pavement and adjacent drainage areas. Water can move freely in a ditch away from the road surface, thus making it safer for the vehicular traffic. South Carolina DOT expressed interest in studying infiltration of water from ditches into roadway embankments. As part of the current design criteria, it is recommended that the road subgrades be 1.0 foot above the design event water surface elevation in the ditch. The distance between the water surface and bottom of the subbase is referred to as “freeboard”. The purpose of this requirement is to lower the risk of pavement damage by moving the flow away from the pavement, containing the captured flow, and conveying flow received from adjacent properties to outfalls. With changes in roadway design standards, larger shoulders and flatter cross-slopes have moved ditches further away from the pavement and the subbase. These changes could allow for a lower freeboard standard without reducing safety margins due to the increased lateral distance from the subbase to the ditch. The objective of this study is to evaluate whether the current SCDOT criterion requiring the roadway subgrade to be 1 ft above the design-event ditch water surface can be relaxed under selected geometric and soil conditions, particularly where larger shoulder widths and flatter side slopes increase horizontal separation between ditch water and pavement structure.

42 ENGINEERING↗
DOE OSTI2026

CRCNS21 Computational Models of Multisensory Integration by Upper Limb in Humanoids and Amputees

This international collaborative research project between Johns Hopkins University (JHU) and the Technical University of Munich (TUM) investigated how the human brain processes and integrates multiple types of sensory information, such as touch and force, with the goal of improving prosthetic limbs for amputees and advancing sensory capabilities in humanoid robots. The research advanced our understanding of how the brain responds to sensory feedback in upper-limb amputees. Through experiments in which amputees received electrical stimulation while performing phantom hand movements, we demonstrated that sensory feedback activates the cortical sensorimotor and multisensory regions, and that these regions communicate dynamically during stimulation. Experiments with intact-limb participants explored the integration of visual, haptic, and force feedback, as well as in virtual reality motor training, further showing how the brain processes multimodal sensory information. In addition, this research inspired work on examining the reliability of where amputees perceive sensations over time, which contributed to a successful doctoral fellowship for continued investigation. Our collaborators at TUM improved multimodal sensor technology combining tactile and thermal feedback for humanoid robots, demonstrating the feasibility of integrating multiple sensor types into a unified system for detecting and responding to environmental stimuli. The experimental methods and analysis techniques developed across both teams, including functional network analysis and multimodal sensor integration, provide a foundation for future research in prosthetics and robotics. This research benefits the public by generating knowledge about how amputees process restored sensory information. Advances in humanoid sensing contribute to safer human-robot interaction. The project also fostered international collaboration and cross-disciplinary training: one TUM doctoral student spent a summer at JHU working on multimodal sensor integration, while two JHU students traveled to TUM to host workshops on neuromorphic sensory encoding and sensory integration.

42 ENGINEERING↗
DOE OSTI2026

Computational modeling of graphite degradation in molten salt reactors: Role of infiltration

Molten salt reactors (MSRs) often employ graphite as a moderator and reflector. An important challenge for deploying graphite in these reactors is that, due to limited experimental data, our understanding of graphite’s structural integrity in molten salt environments remains incomplete. Here, this study addresses heat generation from fuel-bearing salt that has infiltrated open pores in the graphite, driven primarily by pressure differentials. This is one of multiple identified physical and chemical mechanisms through which molten salt could potentially degrade graphite. Thermally driven stresses are quantified using the Molten-Salt Reactor Experiment (MSRE) graphite moderator elements as a case study. Finite element simulations predict stress distributions at varying infiltration levels, indicating that thermal stresses increase with higher infiltration. Rare-event simulations using the parallel subset simulation framework identify the combinations and corresponding ranges of input parameters that lead to stresses above a specified threshold. In particular, combinations involving high infiltration amounts, high power density, and low thermal conductivity tend to induce the highest stresses. Under the inputs and assumptions considered in this work, the magnitudes of the thermally driven stresses are quite low, with a very low likelihood of causing failure due to exceeding the graphite’s tensile strength. Additionally, rare-event simulations were performed for two more scenarios: a scaled-up moderator geometry and a localized hotspot in the original geometry. Both cases resulted in increased susceptibility to failure, though not to a detrimental extent. Furthermore, the combined effects of irradiation and infiltration-induced thermal stresses were evaluated. The results showed that thermal stresses from infiltration were negligible compared to those caused by irradiation. The findings of such a study are inherently component-specific, but the methodology presented here could be used for similar assessments of salt-infiltration effects in other graphite components.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

Micro-structural features and material properties impact on adhesive metal joints via computational modeling and machine learning

The quality of structural bonding in practical applications depends on various factors arising from materials, pre-processing conditions, and manufacturing. Understanding how these factors influence bonding performance and determining their relative importance are of significant interest. Thus, this study evaluates the effects of microstructural features and material properties on the structural strength of adhesively-bonded metal joints at the submillimeter scale, utilizing a combination of Finite Element Modeling (FEM) and Machine Learning (ML) with Gradient Boosting Regression (GBR). The microstructural features include adhesive thickness, internal voids within the adhesive, adherend-adhesive interfacial voids, void size and volume fraction, and surface roughness. The material properties include the constitutive behavior of the adhesive, as well as the adherend-adhesive interfacial strength and fracture energy. The changes in structural strength and morphologies of the bonded metal structures with respect to different microstructural features and material properties were clarified by FEM. By further leveraging ML-GBR, the sequence of importance of these factors affecting bonding performance across various scenarios was summarized. This work provides valuable insights into the development of improved structural bonding for adhesive joints in industries such as automotive , aerospace, and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computational Modeling of Proppants Transport in Rock Fractures

Presentation describing the direct numerical simulations (DNS) of fluid and particulate transport through rough-walled rock fractures showing transport properties of proppants as a function of fracture properties, injection velocity, and proppant size. Results demonstrate the particulate transport is highly influenced by the ratio of proppant diameter to mean fracture aperture, and quantified in terms of areal space that proppant coverage occurs.

Rousta, Farid↗