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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 1,657 records · Page 92

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NASA NTRSDate not supplied

Validation of Gas-Liquid Sharp Interface Model in Loci-Stream for Propellant Tank Self-pressurization under Normal Gravity

Deep space missions require advances in cryogenic fluid management (CFM) for long term storage of propellants. One of the important phenomena is self-pressurization due to heat leakages into the tank. Managing self-pressurization is one of the key technologies for deep space exploration and long-term space missions. The complex interactions involving natural convection, thermal gradients, turbulence, and phase change near the gas-liquid interface cannot be modeled using reduced order or nodal analysis models, and 3-D CFD analyses are necessary to fully characterize the dynamics. CFD analyses pose their own difficulties. The requisite CFD tool to tackle this problem need to be modular with the ability to incorporate various physics models, efficient, and computationally scalable for simulating flight size tanks. In this paper, we discuss modeling approach for self-pressurization in situations where the liquid interface is static and validate NASA MSFC’s Loci-Stream CFD solver for predicting self-pressurization in a test tank in normal gravity. This tank was designed to capture quantifiable and accurate data for understanding various two-phase fluid phenomena and to validate modeling tools. Specifically, we demonstrate the capability of the Loci-Stream solver with a two-phase sharp-interface treatment to predict self-pressurization of a tank with an unperturbed gas-liquid interface. This validation highlights the reliability of our modeling approach and our solver to serve as a design and analysis tool for NASA’s CFM application needs.

cryogenic fluid management↗

NASA NTRSDate not supplied

Validation of Gas-Liquid Sharp Interface Model in Loci-Stream for Propellant Tank Self-pressurization under Normal Gravity

Deep space missions require advances in cryogenic fluid management (CFM) for long term storage of propellants. One of the important phenomena is self-pressurization due to heat leakages into the tank. Managing self-pressurization is one of the key technologies for deep space exploration and long-term space missions. The complex interactions involving natural convection, thermal gradients, turbulence, and phase change near the gas-liquid interface cannot be modeled using reduced order or nodal analysis models, and 3-D CFD analyses are necessary to fully characterize the dynamics. CFD analyses pose their own difficulties. The requisite CFD tool to tackle this problem need to be modular with the ability to incorporate various physics models, efficient, and computationally scalable for simulating flight size tanks. In this paper, we discuss modeling approach for self-pressurization in situations where the liquid interface is static and validate NASA MSFC's Loci-Stream CFD solver for predicting self-pressurization in a test tank in normal gravity. This tank was designed to capture quantifiable and accurate data for understanding various two-phase fluid phenomena and to validate modeling tools. Specifically, we demonstrate the capability of the Loci-Stream solver with a two-phase sharp-interface treatment to predict self-pressurization of a tank with an unperturbed gas-liquid interface. This validation highlights the reliability of our modeling approach and our solver to serve as a design and analysis tool for NASA's CFM application needs.

cryogenic fluid management↗

DOE OSTI2025

Multiscale Thermal-hydraulic analysis of the MARVEL micro-reactor using coupled MOOSE Subchannel (SCM) and SAM

MARVEL is a natural-convection-cooled sodium-potassium microreactor that is anticipated to generate 85 kilowatts of thermal energy. It will operate within Idaho National Laboratory’s Transient Reactor Test Facility and is being developed by the DOE Microreactor Program. MARVEL will be used to test microreactor applications, evaluate systems for remote monitoring, and develop autonomous control technologies. A thermal-hydraulic computational model of this facility is a valuable tool to study important transients and calculate the safety limits of the micro-reactor design. For this purpose, the authors have chosen to use a multiscale coupled simulation: SCM for modeling the reactor core and SAM for the reactor’s primary cooling system. SCM is MOOSE physics module for subchannel analysis, which was designed to model single-phase flows through liquid-metal cooled, wire-wrapped fuel pin sub-assemblies, ordered in a triangular lattice. The SCM code was modified to be able to model MARVEL’s unique geometry. SAM is a systems analysis module based on the MOOSE framework. It aims to provide fast-running, whole-plant transient analyses capability with improved-fidelity for various advanced reactor types. The coupling between the two SCM and SAM for MARVEL modeling is done implementing a domain over-lapping approach. The resulting coupled simulation can model transients such as reactor startup/shutdown and provide an intermediate fidelity picture of the temperature field and other variables, in the core. Results for the steady-state simulations are presented in the article as well as flow blockage transient.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Scalable Programming Workflows for Validation of Quantum Computers

Hybrid quantum-classical workflows have become standard methods for executing variational algorithms and other quantum simulation techniques, which are key applications for noisy intermediate scale quantum (NISQ) computers. Validating these simulations is an important task which helps gauge the progress of quantum computer development, and classical simulation can serve as a tool to this end. Both exact and more scalable approximate methods with quantifiable error bounds can be used in validation tasks where the applicable metrics include the distance from a calculable ground truth, the quality of an error model fit to data, etc. Here we present a library extension that includes methods for validation of quantum simulations based on scalable hybrid workflows executable on high performance computers. We provide examples that use approximate methods based on tensor networks and stabilizer simulators to bound the error of quantum simulations on NISQ hardware.

Nguyen, Thien↗

NASA NTRS2010

Computer-Controlled Cylindrical Polishing Process for Large X-Ray Mirror Mandrels

We are developing high-energy grazing incidence shell optics for hard-x-ray telescopes. The resolution of a mirror shells depends on the quality of cylindrical mandrel from which they are being replicated. Mid-spatial-frequency axial figure error is a dominant contributor in the error budget of the mandrel. This paper presents our efforts to develop a deterministic cylindrical polishing process in order to keep the mid-spatial-frequency axial figure errors to a minimum. Simulation software is developed to model the residual surface figure errors of a mandrel due to the polishing process parameters and the tools used, as well as to compute the optical performance of the optics. The study carried out using the developed software was focused on establishing a relationship between the polishing process parameters and the mid-spatial-frequency error generation. The process parameters modeled are the speeds of the lap and the mandrel, the tool s influence function, the contour path (dwell) of the tools, their shape and the distribution of the tools on the polishing lap. Using the inputs from the mathematical model, a mandrel having conical approximated Wolter-1 geometry, has been polished on a newly developed computer-controlled cylindrical polishing machine. The preliminary results of a series of polishing experiments demonstrate a qualitative agreement with the developed model. We report our first experimental results and discuss plans for further improvements in the polishing process. The ability to simulate the polishing process is critical to optimize the polishing process, improve the mandrel quality and significantly reduce the cost of mandrel production

Khan, Gufran S.↗

DOE OSTI2024

A simple model for short-range ordering kinetics in multi-principal element alloys

Short-range ordering (SRO) in multi-principal element alloys influences material properties such as strength and corrosion. While some degree of SRO is expected at equilibrium, predicting the kinetics of its formation is challenging. We present a simplified isothermal concentration-wave (CW) model to estimate an effective relaxation time of SRO formation. Estimates from the CW model agree to within a factor of five with relaxation times obtained from kinetic Monte Carlo (kMC) simulations when above the highest ordering instability temperature. Further, the advantage of the CW model is that it only requires mobility and thermodynamic parameters, which are readily obtained from alloy mobility databases and Metropolis Monte Carlo simulations, respectively. The simple parameterization of the CW model and its analytical nature makes it an attractive tool for the design of processing conditions to promote or suppress SRO in multicomponent alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Coarse-Grained Simulations for the Characterization and Optimization of Hybrid Protein–DNA Nanostructures

We present here the combination of experimental and computational modeling tools for the design and characterization of protein–DNA hybrid nanostructures. Our work incorporates several features in the design of these nanostructures: (1) modeling of the protein–DNA linker identity and length; (2) optimizing the design of protein–DNA cages to account for mechanical stresses; (3) probing the incorporation efficiency of protein–DNA conjugates into DNA nanostructures. The modeling tools were experimentally validated using structural characterization methods like cryo-TEM and AFM. Our method can be used for fitting low-resolution electron density maps when structural insights cannot be deciphered from experiments, as well as enable in-silico validation of nanostructured systems before their experimental realization. Finally, these tools will facilitate the design of complex hybrid protein–DNA nanostructures that seamlessly integrate the two different biomolecules.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

In situ synchrotron diffraction and modeling of non-equilibrium solidification of a MnFeCoNiCu alloy

The solidification mechanism and segregation behavior of laser-melted Mn 35 Fe 5 Co 20 Ni 20 Cu 20 was firstly investigated via in situ synchrotron x-ray diffraction at millisecond temporal resolution. The transient composition evolution of the random solid solution during sequential solidification of dendritic and interdendritic regions complicates the analysis of synchrotron diffraction data via any single conventional tool, such as Rietveld refinement. Therefore, a novel approach combining a hard-sphere approximation model, thermodynamic simulation, thermal expansion measurement and microstructural characterization was developed to assist in a fundamental understanding of the evolution of local composition, lattice parameter, and dendrite volume fraction corresponding to the diffraction data. This methodology yields self-consistent results across different methods. Via this approach, four distinct stages were identified, including: (I) FCC dendrite solidification, (II) solidification of FCC interdendritic region, (III) solid-state interdiffusion and (IV) final cooling with marginal diffusion. It was found out that in Stage I, Cu and Mn were rejected into liquid as Mn 35 Fe 5 Co 20 Ni 20 Cu 20 solidified dendritically. During Stage II, the lattice parameter disparity between dendrite and interdendritic region escalated as Cu and Mn continued segregating into the interdendritic region. After complete solidification, during Stage III, the lattice parameter disparity gradually decreases, demonstrating a degree of composition homogenization. The volume fraction of dendrites slightly grew from 58.3 to 65.5%, based on the evolving composition profile across a dendrite/interdendritic interface in diffusion calculations. Postmortem metallography further confirmed that dendrites have a volume fraction of 64.7 ± 5.3% in the final microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Exploring scenarios for enhanced fuel compression and performance on the National Ignition Facility with machine-learning-aided design techniques

Recent fusion experiments on the National Ignition Facility (NIF) have achieved ignition, producing multi-MJ fusion yields for input laser energies of roughly 2 MJ [Abu-Shawareb et al., Phys. Rev. Lett. 132, 065102 (2024)]. Building on the success of the target designs that have achieved ignition, we explore new implosion scenarios predicted to generate significantly more compression of the dense DT ice layer and correspondingly higher yields while preserving many of the key physics characteristics of present-day ignition designs. Our main result is a novel 3-shock implosion scheme that effectively minimizes the shock-induced entropy in the dense, accelerating DT shell and maximizes the resulting fuel compression subject to a fixed leading shock strength consistent with present-day ignition experiments, which is necessary to melt the crystalline high-density carbon ablator. Compared to the first NIF experiment to fulfill Lawson's ignition criterion, shot N210808 [Abu-Shawareb et al., Phys. Rev. Lett. 129, 075001 (2022)], our design exhibits a 40% increase in simulated peak areal density (ρR) and a 5× increase in 1D fusion yield using a 4% lighter ablator and identical DT payloads. We also present a complete integrated 2D hohlraum design and laser pulse specifications capable of generating the desired 3-shock drive and maintaining control of the low-mode capsule implosion symmetry, where the increase in simulated 2D yield relative to N210808 is > 10×. This new implosion regime was discovered with help from a machine-learning-enabled capsule design optimization framework. We outline the workflow this automated tool uses to identify improved design candidates by running several rounds of capsule simulations, constructing a surrogate model mapping input variations to key physics output quantities, and querying the resulting statistical model to propose adjustments to the x-ray drive and capsule to reach a set of physics objectives prescribed by the designer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Stochastic and mixed density functional theory within the projector augmented wave formalism for simulation of warm dense matter

Stochastic density functional theory (DFT) and mixed stochastic-deterministic DFT are burgeoning approaches for the calculation of the equation of state and transport properties in materials under extreme conditions. In the intermediate warm dense matter regime, a state between correlated condensed matter and kinetic plasma, electrons can range from being highly localized around nuclei to delocalized over the whole simulation cell. The plane-wave basis pseudopotential approach is thus the typical tool of choice for modeling such systems at the DFT level. Unfortunately, stochastic DFT methods scale as the square of the maximum plane-wave energy in this basis. To reduce the effect of this scaling and improve the overall description of the electrons within the pseudopotential approximation, we present stochastic and mixed DFT approaches developed and implemented within the projector augmented wave formalism. In conclusion, we compare results between the different DFT approaches for both single-point and molecular dynamics trajectories and present calculations of self-diffusion coefficients of solid density carbon from 1 to 50 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2023

NMACFoam (Numerical-model for Membrane-spacer Assemblies and Configurations in OpenFOAM) [SWR-23-57]

NMACFoam is a computational fluid dynamics tool for simulating flow and solids transport in membrane-spacer channels pertaining to reverse osmosis or nanofiltration applications. It is developed on the OpenFOAM framework and allows for simulating spacers with complex geometries. It includes porous wall boundary conditions for membranes and can accurately capture concentration polarization effects. One can perform large calculations at module-scale domain sizes using high performance computing resources with NMACFoam, which scales to 1000s of processors for problems with 1-10 million cells.

Sitaraman, Hariswaran↗

DOE OSTI2026

Ambient and Initial Temperature Effects on Energy Consumption Rate Modeled in FASTSim

Ambient and initial temperatures significantly impact the energy consumption rate (ECR) of battery electric vehicles (BEVs) due to auxiliary loads and the temperature dependence of battery efficiency. This study introduces a streamlined, physics-based thermal modeling approach within the FASTSim tool that bridges the gap between oversimplified constant-load models and computationally expensive high-fidelity simulations. By employing a lumped thermal mass framework, the model captures fundamental energy balances and critical non-linear energy penalties while maintaining the computational efficiency required for expansive sensitivity studies. The simulations evaluated a compact BEV hatchback with a resistive heater over city (UDDS) and highway (HWFET) test cycles. Compared to a 22 degrees Celsius initial and ambient temperature baseline, a -7 degrees Celsius initial/ambient temperature resulted in a 221% increase in the ECR for the city cycle and a 100% increase for the highway cycle. Conversely, a 45 degrees Celsius initial / 40 degrees Celsius ambient temperature resulted in a 40% increase for UDDS and an 18% increase for HWFET. These results demonstrate that while cold conditions impose the most severe energy penalties due to resistive heating, the impact is consistently more pronounced in city driving where auxiliary loads represent a larger proportion of total energy. This lightweight yet robust framework enables researchers to rapidly quantify BEV thermal sensitivity across diverse climates without the need for high-overhead simulation environments.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1978

NASA Agricultural Aircraft Research Program in the Langley Vortex Research Facility and the Langley Full Scale Wind Tunnel

The current status of aerial applications technology research at the Langley's Vortex Research Facility and Full-Scale Wind Tunnel is reviewed. Efforts have been directed mainly toward developing and validating the required experimental and theoretical research tools. A capability to simulate aerial dispersal of materials from agricultural airplanes with small-scale airplane models, numerical methods, and dynamically scaled test particles was demonstrated. Tests on wake modification concepts have proved the feasibility of tailoring wake properties aerodynamically to produce favorable changes in deposition and to provide drift control. An aerodynamic evaluation of the Thrush Commander 800 agricultural airplane with various dispersal systems installed is described. A number of modifications intended to provide system improvement to both airplane and dispersal system are examined, and a technique for documenting near-field spray characteristics is evaluated.

Jordan, F. L., Jr.↗

NASA NTRS1987

FLUINT - General fluid system analysis with SINDA '85

This paper introduces FLUINT (FLUid INTegrator), a general fluid system simulation program that works in conjunction with SINDA '85 (Systems Improved Numerical Differencing Analyzer, 1985 version). FLUINT solves arbitrary networks representing internal fluid systems while SINDA '85 simultaneously solves traditional thermal networks. This transportable program is intended to provide spacecraft thermal management engineers with the analytic tools needed to simulate single- and two-phase coolant loops. The fundamental concepts for fluid system modeling are described, and methods of modeling complex, hardware-specific components are outlined. Underlying correlations and solution methods are briefly discussed. Example analyses and comparisons to test data are provided.

Cullimore, B. A.↗

NASA NTRS2000

NASA's Aero-Space Technology

This presentation reviews the three pillars and the associated goals of NASA's Aero-Space Technology Enterprise. The three pillars for success are: (1) Global Civil Aviation, (2) Revolutionary Technology Leaps, (3) Advanced Space Transportation. The associated goals of the first pillar are to reduce accidents, emissions, and cost, and to increase the aviation system capacity. The goals of the second pillar are to reduce transoceanic travel time, revolutionize general aviation aircraft, and improve development capacity. The goals associated with the third pillar are to reduce the launch cost for low earth orbit and to reduce travel time for planetary missions. In order to meet these goals NASA must provide next-generation design capability for new and or experimental craft which enable a balance between reducing components of the design cycle by up to 50% and or increasing the confidence in design by 50%. These next-generation design tools, concepts, and processes will revolutionize vehicle development. The presentation finally reviews the importance of modeling and simulation in achieving the goals.

Milstead, Phil↗

NASA NTRS2001

Advanced Engineering Environments: Implications for Aerospace Manufacturing

There are significant challenges facing today's aerospace industry. Global competition, more complex products, geographically-distributed design teams, demands for lower cost, higher reliability and safer vehicles, and the need to incorporate the latest technologies quicker all face the developer of aerospace systems. New information technologies offer promising opportunities to develop advanced engineering environments (AEEs) to meet these challenges. Significant advances in the state-of-the-art of aerospace engineering practice are envisioned in the areas of engineering design and analytical tools, cost and risk tools, collaborative engineering, and high-fidelity simulations early in the development cycle. These advances will enable modeling and simulation of manufacturing methods, which will in turn allow manufacturing considerations to be included much earlier in the system development cycle. Significant cost savings, increased quality, and decreased manufacturing cycle time are expected to result. This paper will give an overview of the NASA's Intelligent Synthesis Environment, the agency initiative to develop an AEE, with a focus on the anticipated benefits in aerospace manufacturing.

Thomas, D.↗

NASA NTRS2008

Object-Oriented MDAO Tool with Aeroservoelastic Model Tuning Capability

An object-oriented multi-disciplinary analysis and optimization (MDAO) tool has been developed at the NASA Dryden Flight Research Center to automate the design and analysis process and leverage existing commercial as well as in-house codes to enable true multidisciplinary optimization in the preliminary design stage of subsonic, transonic, supersonic and hypersonic aircraft. Once the structural analysis discipline is finalized and integrated completely into the MDAO process, other disciplines such as aerodynamics and flight controls will be integrated as well. Simple and efficient model tuning capabilities based on optimization problem are successfully integrated with the MDAO tool. More synchronized all phases of experimental testing (ground and flight), analytical model updating, high-fidelity simulations for model validation, and integrated design may result in reduction of uncertainties in the aeroservoelastic model and increase the flight safety.

Pak, Chan-gi↗

NASA NTRS2013

Development of a Multi-Disciplinary Aerothermostructural Model Applicable to Hypersonic Flight

The harsh and complex hypersonic flight environment has driven design and analysis improvements for many years. One of the defining characteristics of hypersonic flight is the coupled, multi-disciplinary nature of the dominant physics. In an effect to examine some of the multi-disciplinary problems associated with hypersonic flight engineers at the NASA Dryden Flight Research Center developed a non-linear 6 degrees-of-freedom, full vehicle simulation that includes the necessary model capabilities: aerothermal heating, ablation, and thermal stress solutions. Development of the tool and results for some investigations will be presented. Requirements and improvements for future work will also be reviewed. The results of the work emphasize the need for a coupled, multi-disciplinary analysis to provide accurate

hypersonics↗