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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 379 records · Page 21

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NASA NTRS1993

Aerothermodynamics of a MESUR Martian entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley Aerothermodynamics Upwind Relaxation Algorithm (LAURA) for Martian Atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Martian-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Martian-entry conditions characteristic of the Mars Environmental Survey (MESUR) mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/sq cm. Radiative heating is negligible.

Mitcheltree, R. A.↗

NASA NTRS1994

Zero-G Thermodynamic Venting System (TVS) Performance Prediction Program

This report documents the Zero-g Thermodynamic Venting System (TVS) performance prediction computer program. The zero-g TVS is a device that destratifies and rejects environmentally induced zero-g thermal gradients in the LH2 storage transfer system. A recirculation pump and spray injection manifold recirculates liquid throughout the length of the tank thereby destratifying both the ullage gas and liquid bulk. Heat rejection is accomplished by the opening of the TVS control valve which allows a small flow rate to expand to a low pressure thereby producing a low temperature heat sink which is used to absorb heat from the recirculating liquid flow. The program was written in FORTRAN 77 language on the HP-9000 and IBM PC computers. It can be run on various platforms with a FORTRAN compiler.

Nguyen, Han↗

NASA NTRS1994

The early spectral evolution of Nova Cassiopeiae 1993

In this paper we describe the evolution of Nova Cas 1993 over the first two months of its outburst. We present an ultraviolet light curve that covers the period from announcement to just after dust began forming in the ejecta (1994 Feb. 15) and International Ultraviolet Explorer (IUE) spacecraft constraints forced us to halt our observations. We have used spherical, expanding, Non-local Thermodynamic Equilibrium (NLTE) stellar atmospheres to compute synthetic spectra and have compared the results to combined ultraviolet (low-resolution 1200-3400 A and high-resolution 2400-3300 A) spectra. Our fits show that the effective temperature of the ejecta increased from approx. 8000 to about approx. 16 000 K between 1993 Dec. 12 and 1993 Dec. 26. The temperature then increased more slowly to approx. 24 000 on 1994 Jan. 28. A preliminary abundance analysis shows evidence for hydrogen depletion, as we also found for Nova V1974 Cygni; however we find a larger enhancement of carbon, nitrogen, and oxygen. We also show that the principal mechanism for mass ejection in this nova is a radiation pressure driven wind and that mechanical driving is not necessary.

Hauschildt, Peter H.↗

NASA NTRS1994

Aerothermodynamic methods for a Mars environmental survey Mars entry

Computational fluid dynamics models for the thermodynamics and transport properties used in an equilibrium version of the Langley aerothermodynamics upwind relaxation algorithm (LAURA) for Mars atmospheric entries are described. In addition, the physical models used in a nonequilibrium version of LAURA for Mars-entry flows are described. Uncertainties exist in defining constants used in the transport properties for the equilibrium model and in many of the physical models for the nonequilibrium version. Solutions from the two codes using the best available constants are examined at the Mars-entry conditions characteristics of the Mars environmental survey mission. While the flowfields are near thermal equilibrium, chemical nonequilibrium effects are present in the entry cases examined. Convective heating at the stagnation point for these flows (assuming fully catalytic wall boundary conditions) is approximately 100 W/cm(exp 2). Radiative heating is negligible.

AEROTHERMODYNAMIC METHODS↗

NASA NTRS2002

Risk-Based Probabilistic Approach to Aeropropulsion System Assessment

In an era of shrinking development budgets and resources, where there is also an emphasis on reducing the product development cycle, the role of system assessment, performed in the early stages of an engine development program, becomes very critical to the successful development of new aeropropulsion systems. A reliable system assessment not only helps to identify the best propulsion system concept among several candidates, it can also identify which technologies are worth pursuing. This is particularly important for advanced aeropropulsion technology development programs, which require an enormous amount of resources. In the current practice of deterministic, or point-design, approaches, the uncertainties of design variables are either unaccounted for or accounted for by safety factors. This could often result in an assessment with unknown and unquantifiable reliability. Consequently, it would fail to provide additional insight into the risks associated with the new technologies, which are often needed by decision makers to determine the feasibility and return-on-investment of a new aircraft engine. In this work, an alternative approach based on the probabilistic method was described for a comprehensive assessment of an aeropropulsion system. The statistical approach quantifies the design uncertainties inherent in a new aeropropulsion system and their influences on engine performance. Because of this, it enhances the reliability of a system assessment. A technical assessment of a wave-rotor-enhanced gas turbine engine was performed to demonstrate the methodology. The assessment used probability distributions to account for the uncertainties that occur in component efficiencies and flows and in mechanical design variables. The approach taken in this effort was to integrate the thermodynamic cycle analysis embedded in the computer code NEPP (NASA Engine Performance Program) and the engine weight analysis embedded in the computer code WATE (Weight Analysis of Turbine Engines) with the fast probability integration technique (FPI). FPI was developed by Southwest Research Institute under contract with the NASA Glenn Research Center. The results were plotted in the form of cumulative distribution functions and sensitivity analyses and were compared with results from the traditional deterministic approach. The comparison showed that the probabilistic approach provides a more realistic and systematic way to assess an aeropropulsion system. The current work addressed the application of the probabilistic approach to assess specific fuel consumption, engine thrust, and weight. Similarly, the approach can be used to assess other aspects of aeropropulsion system performance, such as cost, acoustic noise, and emissions. Additional information is included in the original extended abstract.

Tong, Michael T.↗

DOE OSTI2024

DFT Calculation of Thermal Expansion within Debye-Grüneisen Framework Made Simple and Accurate

The density functional theory (DFT) based Debye-Grüneisen approach is a computational method used to calculate the thermodynamic properties of materials by relating the volume dependence of the Debye frequency to the Grüneisen parameter. In this study, we propose a new model to describe the volume dependence of the Grüneisen parameter. This model offers a simple yet accurate approach to predict the thermal expansion of materials within the framework of the Debye-Grüneisen theory. Specifically, for pure elements or species used as a reference system, we calibrated the parameters to reproduce the experimental coefficient of thermal expansion, heat capacity, and entropy. For compounds with arbitrary compositions, the parameters are determined by taking the arithmetic or geometric average of those obtained from the pure elements or species based on their composition. We then compared the model prediction with experiments. This allowed for a comprehensive characterization of the thermal expansion behavior of various materials.

Wang, Yi↗

DOE OSTI2026

Hybrid Cooling and Water Treatment for Resilient, Water-Self-Sufficient Data Centers

The continued growth of data center infrastructure is intensifying demand for freshwater resources, particularly in water-stressed regions, and is increasingly limiting sustainable capacity expansion. This work investigates a conceptual hybrid system that integrates freeze desalination with ultrasonic-assisted ice separation to enable on-site production of pure water from diverse sources, including seawater, brackish groundwater, and reclaimed industrial or agricultural wastewater. Simultaneously, the system produces low-temperature cooling streams that enhance heat removal in high power density computing environments. A process-level thermodynamic analysis is performed across a range of boundary and operating conditions, including variations in feed concentration, freezing temperature, and mass flow rate. The results are presented as performance curves relating feedwater concentration and target purified water output to the corresponding intake flow requirements, enabling estimation of source water demand per unit of Information Technology Equipment (ITE) energy consumption (kWh) across varying data center scales and operational scenarios. The corresponding electrical energy consumption for integrated cooling and water treatment is also evaluated as a function of system operating parameters and target water production levels. These results provide a basis for evaluating system feasibility across different conditions and for identifying parameter ranges in which integrated water treatment and cooling improve resource efficiency, thermal performance, and operational flexibility in data centers.

Elhefny, Aly [ORNL] (ORCID:0000000284907923)↗

NASA NTRSDate not supplied

Computational Tools to Design Molten Salt Electrolytes for High-Temperature Environments

Current Li-ion batteries are designed for a small operating window of 5 °C to 55 °C. Modifications to the electrolyte for operation in Mars atmosphere extended this range on the lower bound to ~ -40 °C. These operating-temperature ranges are far from those presented in high-temperature environments, such as the Venus surface, where temperatures are around 450 °C. Protecting the state-of-the-art Li-ion batteries require insulations that decreases the volumetric capacity and limiting the operational time-window. These unique challenges require a paradigm shift in materials used for designing high-temperature batteries. Molten salt electrolyte-based batteries offer a plausible route to designing high-temperature batteries. ZEBRA batteries are known to be one of the safest energy storage devices operating at 270-350 °C. Nitrate based eutectics, operating at 150 °C have also been used in Li-O2 batteries. In this study, we will examine molten-salt electrolyte transport and electrochemical properties using first-principles computations and benchmark against experiments. Further, we will present thermodynamics-based models for designing and predicting melting point of molten salt mixtures. Based on these computational tools, new molten salt mixtures designed with desired operating temperatures and electrochemical windows will be presented. Implications of these new eutectics in the context of high-temperature environment exploration will also be discussed.

Balachandran Radhakrishnan↗

NASA NTRS1986

Addressing the hypersonic simulation problem

The hypersonic simulation problem is solved by the meshing of bench-marked experimental data with results from validated computational fluid dynamic codes. The example presented is for the reentry of the Space Shuttle Orbiter. Mach number effects were assessed by parametrically varying free-stream Mach number and angle of attack in a series of inviscid, perfect-gas computations carried out on a modified Orbiter geometry. Real-gas effects were determined by making calculations at specific points of the reentry trajectory using equilibrium air thermodynamics and comparing with corresponding perfect-gas computations. Viscous computations were also made for both the basic Orbiter body and control surfaces. A methodology is developed that permits the extrapolation of wind tunnel data to flight situations, providing a solution to the hypersonic simulation problem.

Griffith, B. J.↗

NASA NTRSDate not supplied

Comparisons of CFD Simulations of Icing Wind Tunnel Clouds with Experiments Conducted at the NASA Propulsions Systems Laboratory

This paper evaluates simulation predictions against experimental test data of icing clouds that were produced during 2018 ice crystal icing physics tests conducted at the NASA Propulsion Systems Laboratory icing wind tunnel. Aero-thermal and cloud parameters are set and known upstream at the tunnel inlet and spray system, but change as the cloud and air thermodynamically interact as the flowing masses reach the tunnel test section. Utilizing the ANSYS Fluent Discrete Phase Model function, 3D computational fluid dynamics (CFD) simulations were performed, capturing the thermodynamic interactions between the test parameters, and providing predictions of the aero thermal and cloud conditions at the tunnel test section. Simulation predictions were compared with test data that were measured at the tunnel exit plane. Evaluations focused on the cloud concentration (total water content), humidity content, and air temperature. CFD simulation predictions showed areas of agreement and disagreement. Simulations showed that cloud concentration profiles at the test section are strongly related to the initial spray nozzle pattern used at the tunnel inlet. Experimental data suggest that greater dispersion of the cloud occurred as the simulated cloud predicted areas of high and low cloud concentration compared to test data profiles. Simulations, however, captured the magnitude and location of the change in humidity content and the change in air temperature due to the presence of the cloud reasonably well, when compared to test data. This result would suggest that while the ANSYS simulation did not fully predict the spreading of the cloud as measured during experiment, it did capture evaporation and the molecular movements of air and vapor relatively well.

CFD↗

NASA NTRSDate not supplied

Comparisons of CFD Simulations of Icing Wind Tunnel Clouds with Experiments Conducted at the NASA Propulsions Systems Laboratory

CFD↗

NASA NTRSDate not supplied

CFD and Thermodynamic Model Predictions of No-Vent Tank Filling in Microgravity

Cryogenic Fluid Management (CFM) of propellant fluids under low gravity conditions present an important challenge in the pursuit of NASA’s future long-duration space missions. Success of these missions relies to a large extent on the ability to store and transfer the cryogenic liquid fuels efficiently and safely. To this end, the Zero-Boil-Off Tank Filling and Transfer Experiment (ZBOT-FT) undertaken by University of Bremen in collaboration with Case Western Reserve University aims at studying two phase flow tank-to-tank transfer operations in microgravity using a simulant fluid, Perfluoro-n-pentane (PNP). As part of this effort, in this work, we present a system level homogeneous thermodynamic model and a two-phase Computational Fluid Dynamics (CFD) model of a no-vent cylindrical tank filling in microgravity. Both 2D axisymmetric and 3D parametric simulations case studies are performed to show the detailed physics of the filling process and the evolution of tank pressure for filling flow rates between 1.0 and 1.65 mL/s. A zero-dimensional homogeneous thermodynamic model is also developed to predict the final steady state tank pressure analytically. Comparison of the 2D and 3D CFD predictions of final pressures to the steady state thermodynamic results displays very good agreement. However, it is shown that the 2D axisymmetric model predicts a maxima in tank pressure before reaching steady state. It is indicted that this pressure maxima is caused by the constraints inherent in the axisymmetric model and is absent in the 3D and thermodynamic pressure predictions.

Two Phase Flow↗

NASA NTRS2004

Generalized Fluid System Simulation Program

A general purpose program implemented on a computer analyzes steady state and transient flow in a complex fluid network, modeling phase changes, compressibility, mixture thermodynamics and external body forces such as gravity and centrifugal force. A preprocessor provides for the inter- active development of a fluid network simulation having nodes and branches. Mass, energy, and specie conservation equations are solved at the nodes, and momentum conservation equations are solved in the branches. Contained herein are subroutines for computing "real fluid" thermodynamic and thermophysical properties for 12 fluids, and a number of different source options are provided for model- ing momentum sources or sinks in the branches. The system of equations describing the fluid network is solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution methods. Application and verification of this invention are provided through an example problem, which demonstrates that the predictions of the present invention compare most reasonably with test data.

Alok Kumar Majumdar↗

DOE OSTI2020

Inverse methods for design of soft materials

Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide a systematic means for navigating their inherently high-dimensional design spaces to create materials with targeted properties. Furthermore, while multiple physically motivated inverse strategies have been successfully implemented in silico, their translation to guiding experimental materials discovery has thus far been limited to a handful of proof-of-concept studies. In this perspective, we discuss recent advances in inverse methods for design of soft materials that address two challenges: (1) methodological limitations that prevent such approaches from satisfying design constraints and (2) computational challenges that limit the size and complexity of systems that can be addressed. Strategies that leverage machine learning have proven particularly effective, including methods to discover order parameters that characterize complex structural motifs and schemes to efficiently compute macroscopic properties from the underlying structure. We also highlight promising opportunities to improve the experimental realizability of materials designed computationally, including discovery of materials with functionality at multiple thermodynamic states, design of externally directed assembly protocols that are simple to implement in experiments, and strategies to improve the accuracy and computational efficiency of experimentally relevant models.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Progress of Stirling cycle analysis and loss mechanism characterization

An assessment of Stirling engine thermodynamic modeling and design codes shows a general deficiency; this deficiency is due to poor understanding of the fluid flow and heat transfer phenomena that occur in the oscillating flow and pressure level environment within the engines. Stirling engine thermodynamic loss mechanisms are listed. Several experimental and computational research efforts now underway to characterize various loss mechanisms are reviewed. The need for additional experimental rigs and rig upgrades is discussed. Recent developments and current efforts in Stirling engine thermodynamic modeling are also reviewed.

Tew, R. C., Jr.↗

DOE OSTI2021

Computation-guided discovery of coating materials to stabilize the interface between lithium garnet solid electrolyte and high-energy cathodes for all-solid-state lithium batteries

All-solid-state batteries with a lithium metal anode, enabled by lithium garnet solid electrolytes such as Li 7 La 3 Zr 2 O 12 (LLZO), are a promising next-generation energy-storage technology. The further development of all-solid-state battery requires the integration of high-energy cathodes such as LiNi 1-x-y Mn x Co y O 2 (NMC) with the garnet solid electrolyte with stable and low-resistance interfaces, which requires a coating layer to stabilize the interface during high-temperature sintering and electrochemical cycling. In order to guide the future development of interfacial coatings, we perform high-throughput thermodynamic analyses based on first-principles computation to investigate the stability of LLZO garnet and high-energy NMC cathodes with a wide range of materials chemistries. Here our study reveals the factors governing the materials stability with LLZO garnet and NMC cathodes, and identifies the mechanisms of good coating layers stable with LLZO and NMC. In addition to classifying known coating layers, our study provides detailed guiding charts and multiple new materials systems as promising coatings for stabilizing LLZO—NMC interfaces to enable high-energy-density garnet-based all-solid-state batteries. Our demonstrated computation scheme and high-throughput analyses are generally applicable to investigate and screen coating materials for stabilizing interfaces in energy-related applications.

25 ENERGY STORAGE↗

NASA NTRS1994

Three-dimensional radiative transfer on a massively parallel computer

We perform 3D radiative transfer calculations in non-local thermodynamic equilibrium (NLTE) in the simple two-level atom approximation on the Mas-Par MP-1, which contains 8192 processors and is a single instruction multiple data (SIMD) machine, an example of the new generation of massively parallel computers. On such a machine, all processors execute the same command at a given time, but on different data. To make radiative transfer calculations efficient, we must re-consider the numerical methods and storage of data. To solve the transfer equation, we adopt the short characteristic method and examine different acceleration methods to obtain the source function. We use the ALI method and test local and non-local operators. Furthermore, we compare the Ng and the orthomin methods of acceleration. We also investigate the use of multi-grid methods to get fast solutions for the NLTE case. In order to test these numerical methods, we apply them to two problems with and without periodic boundary conditions.

Vath, H. M.↗

DOE OSTI2024

Air separation and N 2 purification with Ba 0.15 Sr 0.85 FeO 3-$δ$ via a two-step thermochemical process

Thermochemical air separation to produce high-purity N 2 was demonstrated in a vertical tube reactor via a two-step reduction–oxidation cycle with an A-site substituted perovskite Ba 0.15 Sr 0.85 FeO 3–δ (BSF1585). BSF1585 particles were synthesized and characterized in terms of their chemical, morphological, and thermophysical properties. A thermodynamic cycle model and sensitivity analysis using computational heat and mass transfer models of the reactor were used to select the system operating parameters for a concentrating solar thermal-driven process. Thermal reduction up to 800 °C in air and temperature-swing air separation from 800 °C to minimum temperatures between 400 and 600 °C were performed in the reactor containing a 35 g packed bed of BSF1585. The reactor was characterized for dispersion, and air separation was characterized via mass spectrometry. Gas measurements indicated that the reactor produced N 2 with O 2 impurity concentrations as low as 0.02 % for > 30 min of operation. Additionally, a parametric study of air flow rates suggested that differences in observed and thermodynamically predicted O 2 impurities were due to imperfect gas transport in the bed. Temperature swing reduction/oxidation cycling experiments between 800 and 400 °C in air were conducted with no statistically significant degradation in N 2 purity over 50 cycles.

14 SOLAR ENERGY↗