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NASA NTRS2001

Experimental and Theoretical Investigations of the Solidification of Eutectic Al-Si Alloy

The eutectic alloys have a wide spectrum of applications due to their good castability and physical and mechanical properties. The interphase spacing resulting during solidification is an important microstructural feature that significantly influences the mechanical behavior of the material. Thus, knowledge of the evolution of the interphase spacing during solidification is necessary in order to properly design the solidification process and optimize the material properties. While the growth of regular eutectics is rather well understood, the irregular eutectics such as Al-Si or Fe-graphite exhibit undercoolings and lamellar spacings much larger than those theoretically predicted. Despite of a considerable amount of experimental and theoretical work a clear understanding of the true mechanism underlying the spacing selection in irregular eutectics is yet to be achieved. A new experimental study of the solidification of the eutectic Al-Si alloy will be reported in this paper. The measured interface undercoolings and lamellar spacing will be compared to those found in the literature in order to get more general information regarding the growth mechanism of irregular eutectics. A modification of the present theory of the eutectic growth is also proposed. The results of the modified mathematical model, accounting for a non-isothermal solid/liquid interface, will be compared to the experimental measurements.

Sen, S.↗

NASA NTRS1996

Time Evolution of Radiation-Induced Luminescence in Terbium-Doped Silicate Glass

A study was made on two commercially available terbium-doped silicate glasses. There is an increased interest in silicate glasses doped with rare-earth ions for use in high-energy particle detection and radiographic applications. These glasses are of interest due to the fact that they can be formed into small fiber sensors; a property that can be used to increase the spatial resolution of a detection system. Following absorption of radiation, the terbium ions become excited and then emit photons via 4f-4f electronic transitions as they relax back to the ground state. The lifetime of these transitions is on the order of milliseconds. A longer decay component lasting on the order of minutes has also been observed. While radiative transitions in the 4f shell of rare-earth ions are generally well understood by the Judd-Olfelt theory, the pr'esence of a longer luminescence decay component is not. Experimental evidence that the long decay component is due, in part, to the thermal release of trapped charge carriers will be presented. In addition, a theoretical model describing the time evolution of the radiation-induced luminescence will be presented.

West, Michael S.↗

DOE OSTI2026

The landscape of regulatory element evolution in a C4 perennial grass

Gene regulatory evolution is a well-known source of phenotypic diversity and adaptive evolution. Although cis-regulatory elements (CREs) play a vital role in gene expression evolution, the molecular evolution of CREs remains mostly unknown due to the difficulty in identifying and characterizing these functional elements. Comparative genomic analyses of noncoding DNA can be leveraged to identify conserved noncoding sequences (CNS), many of which may harbor functional CREs conserved by purifying selection. However, purely computational inference of CREs from putative CNS can be erroneous due to the complex genomic architecture in plants. One promising experimental approach to identify CREs is by profiling accessible chromatin regions (ACRs) that are often associated with the location of CREs. In this study, we use comparative genomics along with the profiling of ACRs to study the molecular evolution of putative functional noncoding regulatory regions in Panicoid grasses. We identified sets of CNS that varied in relationship to the degree of evolutionary divergence among the studied taxa, including identifying core-Panicoid-CNS. We augmented this analysis by profiling ACRs in Panicum hallii ecotypes using ATAC-seq. ACRs had low SNP density at the summit, harbored a high frequency of core-Panicoid-CNS, and were enriched with expression QTL. These data help to annotate the P. hallii genome for putative functional elements and suggest that a large proportion of these ACRs are evolving under purifying selection. Turnover in CNS and ACR between ecotypes of P. hallii identifies a small set of putatively divergent CREs that may underlie differences in gene regulation between genotypes from inland and coastal habitats. In summary, we profiled ACRs in Panicoid grasses and integrated this data with our putative CNS prediction framework, which provides unique insight into patterns of polymorphism and divergence in CREs in C4 perennial grasses.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Evolution of Structure and Magnetism in FeCl 2 and FeCl 3 : From Clusters to Monolayers

In this work, we address one of the most fundamental questions in cluster science─how do the structure and properties evolve from clusters to crystals? Using density functional theory (DFT), we focus our study on the evolution of structure and magnetism in iron-chloride systems, from clusters to monolayers. The choice of this system is motivated by the recent experimental confirmation of one of the author’s earlier theoretical prediction that the FeCl 2 cluster is magnetic with a spin magnetic moment of 4 μ B localized at the Fe site, while its dimer, Fe 2 Cl 4 , is antiferromagnetic. Similarly, FeCl 3 cluster is magnetic with a total spin magnetic moment of 5 μ B , with 4 μ B localized at the Fe site and 1 μ B distributed over the Cl sites. The dimer clusters Fe 2 Cl 4 and Fe 2 Cl 6 have an antiferromagnetic ground state, and upon Li-functionalization, both can be magnetically transformed from antiferromagnetic to ferromagnetic states. In contrast, FeCl 2 and FeCl 3 monolayers exhibit different magnetic ground states in their periodic forms: FeCl 2 is ferromagnetic (FM), but in FeCl 3 , the antiferromagnetic (AFM) and FM states are energetically nearly degenerate. Such a difference arises due to the different chemical coordination of the Fe atoms with the Cl atoms, caused by their different oxidation states, which is +2 in FeCl 2 and +3 in FeCl 3 , respectively. Interestingly, Li-functionalization allows both FeCl 3 and FeCl 2 monolayers to be ferromagnetic. Our study highlights that several, but not all, electronic and magnetic characteristics of isolated clusters are preserved in the extended periodic structures. This systematic investigation of iron-halide clusters is expected to inspire further experimental and theoretical exploration into the magnetism of other transition metal halides.

cluster chemistry↗

DOE OSTI2024

Elucidating the complex interplay between thermodynamics, kinetics, and electrochemistry in battery electrodes through phase-field modeling

Abstract This article highlights applications of phase-field modeling to electrochemical systems, with a focus on battery electrodes. We first provide an overview on the physical processes involved in electrochemical systems and applications of the phase-field approach to understand the thermodynamic and kinetic mechanisms underlying these processes. We employ two examples to highlight how realistic thermodynamics and kinetics can naturally be incorporated into phase-field modeling of electrochemical processes. One is a composite battery cathode with an intercalation compound (Li x FePO 4 ) as the electrochemically active material, and the other is a displacement reaction compound (Li–Cu–TiS 2 ). With the input parameters mostly from atomistic calculations and experimental measurements, phase-field simulations allowed us to untangle the interactions among transport, reaction, electricity, chemistry, and thermodynamics that lead to highly complex evolution of the materials within battery electrodes. The implications of these observations for battery performance and degradation are discussed. Graphical abstract

Andrews, W. Beck (ORCID:0000000287824621)↗

NASA NTRS1984

Multiple steady states for characteristic initial value problems

The time dependent, isentropic, quasi-one-dimensional equations of gas dynamics and other model equations are considered under the constraint of characteristic boundary conditions. Analysis of the time evolution shows how different initial data may lead to different steady states and how seemingly anamolous behavior of the solution may be resolved. Numerical experimentation using time consistent explicit algorithms verifies the conclusions of the analysis. The use of implicit schemes with very large time steps leads to erroneous results.

Salas, M. D.↗

NASA NTRS1987

A numerical study of three-dimensional vortex breakdown

A numerical simulation of bubble-type vortex breakdown using a unique discrete form of the full 3-D, unsteady incompressible Navier-Stokes equations was performed. The Navier-Stokes equations were written in a vorticity-velocity form and the physical problem was not restricted to axisymmetric flow. The problem was parametized on a Rossby- Reynolds-number basis. Utilization of this parameter duo was shown to dictate the form of the free-field boundary condition specification and allowed control of axial breakdown location within the computational domain. The structure of the breakdown bubble was studied through time evolution plots of planar projected velocity vectors as well as through plots of particle traces and vortex lines. These results compared favorably with previous experimental studies. In addition, profiles of all three velocity components are presented at various axial stations and a Fourier analysis was performed to identify the dominant circumferential modes. The dynamics of the breakdown process were studied through plots of axial variation of rate of change of integrated total energy and rate of change of integrated enstrophy, as well as through contour plots of velocity, vorticity and pressure.

Spall, Robert E.↗

NASA NTRS1999

Visualization of Subsurface Defects in Composites using a Focal Plane Array Infrared Camera

A technique for enhanced defect visualization in composites via transient thermography is presented in this paper. The effort targets automated defect map construction for multiple defects located in the observed area. Experimental data were collected on composite panels of different thickness with square inclusions and flat bottom holes of different depth and orientation. The time evolution of the thermal response and spatial thermal profiles are analyzed. The pattern generated by carbon fibers and the vignetting effect of the focal plane array camera make defect visualization difficult. An improvement of the defect visibility is made by the pulse phase technique and the spatial background treatment. The relationship between a size of a defect and its reconstructed image is analyzed as well. The image processing technique for noise reduction is discussed.

Plotnikov, Yuri A.↗

NASA NTRS2001

Scalar Measurements and Analysis of Helium Jets in Earth Gravity and Microgravity using Rainbow Schlieren Deflectometry

Recent experiments have shown that low-density gas jets injected into a high-density gas undergo an instability mode leading to highly periodic oscillations in the flow field. The transition from laminar to turbulent flow in these jets is abrupt, without a gradual change in scales. Although this type of instability at high Richardson numbers has been attributed to buoyancy, direct physical evidence was not acquired through experiments. In this study, several experiments were conducted in Earth gravity and microgravity to acquire qualitative data on near field flow structure of helium jets injected into air. Microgravity conditions were simulated in the 2.2-second drop tower at NASA Glenn Research Center. The operating parameters of this study included the tube inside diameter, the jet Reynolds number, and the jet Richardson number. Tubes with inside diameters of 19.05 mm and 31.75 mm were used in the experiments conducted in the drop tower. The jet flow was analyzed using quantitative rainbow schlieren deflectometry, a non-intrusive line of sight measurement technique for the whole field. The flow structure was characterized by distributions of angular deflection and the resulting helium mole fraction obtained from color schlieren images taken at 60 Hz. Three sets of experimental data with respect to three schlieren fields of view were acquired for each tube. Results show that the jet in microgravity was up to 70 percent wider than that in Earth gravity. The global jet flow oscillations observed in Earth gravity were absent in microgravity, providing direct experimental evidence that the flow instability in the low-density jet was buoyancy-induced. This study provides quantitative details of temporal flow evolution as the experiments undergo change in gravity in the drop tower.

Yep, Tze Wing↗

NASA NTRS2010

Design and Testing of a Prototype Lunar or Planetary Surface Landing Research Vehicle (LPSLRV)

This handbook describes a two-semester senior design course sponsored by the NASA Office of Education, the Exploration Systems Mission Directorate (ESMD), and the NASA Space Grant Consortium. The course was developed and implemented by the Mechanical and Aerospace Engineering Department (MAE) at Utah State University. The course final outcome is a packaged senior design course that can be readily incorporated into the instructional curriculum at universities across the country. The course materials adhere to the standards of the Accreditation Board for Engineering and Technology (ABET), and is constructed to be relevant to key research areas identified by ESMD. The design project challenged students to apply systems engineering concepts to define research and training requirements for a terrestrial-based lunar landing simulator. This project developed a flying prototype for a Lunar or Planetary Surface Landing Research Vehicle (LPSRV). Per NASA specifications the concept accounts for reduced lunar gravity, and allows the terminal stage of lunar descent to be flown either by remote pilot or autonomously. This free-flying platform was designed to be sufficiently-flexible to allow both sensor evaluation and pilot training. This handbook outlines the course materials, describes the systems engineering processes developed to facilitate design fabrication, integration, and testing. This handbook presents sufficient details of the final design configuration to allow an independent group to reproduce the design. The design evolution and details regarding the verification testing used to characterize the system are presented in a separate project final design report. Details of the experimental apparatus used for system characterization may be found in Appendix F, G, and I of that report. A brief summary of the ground testing and systems verification is also included in Appendix A of this report. Details of the flight tests will be documented in a separate flight test report. This flight test report serves as a complement to the course handbook presented here. This project was extremely ambitious, and achieving all of the design and test objectives was a daunting task. The schedule ran slightly longer than a single academic year with the complete design closure not occurring until early April. Integration and verification testing spilled over into late May and the first flight did not occur until mid to late June. The academic year at Utah State University ended on May 8, 2010. Following the end of the academic year, testing and integration was performed by the faculty advisor, paid research assistants, and volunteer student help

Murphy, Gloria A.↗

NASA NTRSDate not supplied

Fractionation of Iron and Titanium Isotopes By Ilmenite and the Isotopic Compositions of Lunar Magma Ocean Cumulates

Basaltic volcanism on the Moon produced low- and high-Ti mare basalt suites that are also distinct with respect to their iron, titanium, and magnesium iso- topic compositions. Here, the equilibrium fractionation of Fe and Ti isotopes between ilmenite and melt was experimentally investigated in order to evaluate the role of ilmenite in generating the isotopic compositional variability among the lunar mare basalts. Ilmenite crystallization experiments were conducted using two bulk compositions: an ilmenite-saturated basaltic andesite and an ilmenite-saturated Apollo 14 black glass, and the Fe and Ti isotopic compo- sitions of the experimental ilmenites and glass (quenched melt) were analyzed using solution MC-ICPMS after hand-picking. Additionally, Nuclear Resonant Inelastic X-ray Scattering (NRIXS) measurements on synthetic ilmenite were conducted and compared to previous NRIXS measurements on synthetic lunar glasses in order to derive temperature-dependent equilibrium ilmenite-melt Fe isotopic fractionations. Experimentally determined ilmenite-melt fractionations were then incorporated into a lunar magma ocean crystallization model that tracks the major element and isotopic compositional evolution of lunar magma ocean cumulates and residual liquid. There is good agreement between the Fe equilibrium isotopic fractionation measured by NRIXS and the laboratory equili- bration experiments, and we find that the isotopic fractionation is sensitive to il- menite compositional differences (0 vs. 10% Fe3+). Further, the light Ti isotopic composition of ilmenite relative to the melt (∆49Ti ilmenite-melt = −0.09 ± 0.03h at 1100°C) is consistent with the higher coordination of Ti in ilmenite relative to melts and results of previous studies. The modeled Ti isotopic compositions for lunar magma ocean cumulates display Ti isotopic variability sufficient to explain the low- and high-Ti mare basalt sources. However, the difference in Fe isotopic composition between the low- and high-Ti mare basalts cannot be attributed solely to ilmenite fractionation. Instead, Fe isotopic fractionation by additional products of lunar magma ocean crystallization, such as clinopy- roxene, is required to generate the inferred Fe and Mg isotopic variability in the lunar mantle. Alternatively, the Fe and Mg isotopic compositions of the lunar mare basalts may indicate Fe-Mg interdiffusion has occurred in the Ti- rich component of the mare basalt source regions via reaction between ilmenite cumulates and the olivine- and pyroxene-rich lunar mantle.

Kelsey Prissel↗

DOE OSTI2026

Time at Temperature Experiments on Neutron Irradiated Zircaloy-2 using Conventional & Flash DSC

Dryout events in Boiling Water Reactors (BWRs) are currently treated by NRC regulations as automatic disqualification for continued fuel rod operation, even though this criterion does not account for the rate or duration of power increases, associated changes in material behavior, or the possibility of rewetting. Operational history from Anticipated Operational Occurrences (AOOs) shows that short, transient power excursions often demand only modest heat removal, and industry experience suggests that fuel can briefly enter dryout yet return to safe, stable operation. The lack of detailed understanding of the material response during such events motivates the present series of experiments. This study uses unique and innovative methods to investigate microstructural evolution in irradiated Zircaloy-2 exposed to high temperatures in inert environments. Differential Scanning Calorimetry (DSC) and FlashDSC are combined to build a comprehensive experimental framework capable of identifying the a–ß phase transformation in zirconium and examining defect annealing under steep thermal gradients. FlashDSC enables rapid heating and cooling of Focused Ion Beam (FIB)–prepared large-area lift-outs (LALOs) of irradiated Zircaloy-2 at rates of 1,000 K/s to peak temperatures of 600°C, 750°C, and 900°C. The goal is to determine whether these conditions produce measurable microstructural changes that could influence cladding performance in typical BWR environments. Microstructural characterization includes quantifying dislocation density and assessing secondary phase particle (SPP) size and distribution using Transmission Electron Microscopy (TEM). Ongoing analysis, such as diffraction pattern indexing and 4D STEM processing, will further refine these observations.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

MX precipitate behavior in an irradiated advanced Fe-9Cr steel: Self-ion irradiation effects on phase stability

In an effort to optimize Fe-9Cr reduced activation ferritic/martensitic (RAFM) steels and to inform the design and operation of fusion reactors, this work represents the first in a series of cohesive studies dedicated to the evolution of MX-TiC precipitates under accelerated single and dual ion irradiations. This study investigates CNA9, a simplified Fe-9Cr RAFM steel featuring initial MX-TiC precipitate densities of (2.3±0.3)×10²¹ m⁻³. This material was subjected to single self-ion irradiation at damage levels ranging from 1 to 100 displacements per atom (dpa) over a temperature range of 300 to 600°C, with a nominal dose rate of 7×10⁻⁴ dpa/s. Irradiation-induced coarsening was observed, as evidenced by statistically significant increases in mean diameter sizes, at 15 dpa at both 500°C and 600°C, whereas no coarsening was noted at 300°C or 400°C. Further, complete dissolution of precipitates occurred at damage levels of 50 and 100 dpa across the two temperatures tested (300°C and 500°C) while no significant changes were observed at any doses below 15 dpa at 500°C. Experimentally parameterized recoil resolution modeling suggests that the observed radiation stability of MX-TiC precipitates is intricately linked to diffusional changes of solutes resulting from the co-evolution of microstructural features within the experiments. The findings align with current theoretical perspectives on radiation-induced precipitate stability in complex alloys.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Microstructural evolution of diamond growth during HFCVD

High resolution transmission electron microscopy (HRTEM) was used to study the nucleation and growth mechanism of diamond by hot filament chemical vapor deposition (HFCVD) process. A novel technique has shown a direct evidence for the formation of the diamond-like carbon layer 8-14 nm thick in which small diamond micro-crystallites were embedded. These diamond micro-crystallites were formed as a result of transformation of diamond-like carbon into diamond. The diamond micro-crystallites present in the amorphous diamond-like carbon layer provided nucleation sites for diamond growth. Large diamond crystallites were observed to grow from these micro-crystallites. The mechanism of diamond growth will be presented based on experimental findings.

TRT-EXPERIMENTAL↗

DOE OSTI2024

DECOVALEX-2023: Task C Final Report

The Full-scale Emplacement (FE) heater experiment at the Mont Terri Underground Rock Laboratory (URL) was designed and conducted by Nagra to replicate an emplacement tunnel of Nagra’s reference repository design at 1:1 scale. Alongside testing the technical feasibility of constructing disposal tunnels, emplacing waste containers in the tunnels and then backfilling them, the main goals of the FE experiment are (1) to obtain a better understanding of the coupled effects of induced thermo-hydro-mechanical (THM) processes that may occur and (2) to validate existing coupled THM models (Müller et al., 2017). A key aspect of ensuring safety for repositories located in low-permeability rock involves minimizing any damage to the rock itself, thereby preserving its integrity and promoting a stable environment Amongst a number of processes that could damage the rock is the increase in pore pressure due to thermal loading caused by heat emitted from the waste. To reduce the potential damage of the rock, it is important to analyse the evolution of heat over time due to the heat load of the containers and assess possible consequences by coupled THM models. The aim of Task C of DECOVALEX-2023 was to build 3D numerical models of the FE experiment, focussing in particular on the heating induced pore pressure change in the Opalinus Clay. Data from a large number of sensors were available from the FE experiment for model comparison. These sensors measured temperature and relative humidity in the bentonite around the heaters, and temperature, pressure and displacement/strain in the surrounding Opalinus clay. Data were available from the start of excavation (April 2012) up to August 2020 for most sensors (more than 5 years from the start of heating in December 2014). To fulfil the overall aim of the task, the work was broken down into a number of steps, starting with simpler models to build confidence in each team’s approach and then moving to more complex models that better represent the FE experiment. Step 0 consisted of 2D benchmark models, gradually increasing the number of processes that are represented from thermal (T) only models in Step 0a, to coupled thermal hydraulic (TH) models in Step 0b with a representation of changing porosity, to coupled thermo-hydro-mechanical (THM) models in Step 0c, where porosity changes are calculated by the mechanical model. A detailed specification of processes, parameters, initial and boundary conditions was provided for this step, with the ambition that all teams would work towards close agreement in their model results, thus building confidence in the model implementations. vi It was not straightforward to achieve agreement between the teams, so additional steps (Step 0b2, 0b3, 0c2, 0c3) were added along with derivation of some analytical solutions against which the models could be compared. The reasons for the differences between teams were investigated and found to be caused primarily by different conceptual model assumptions (including temperature dependence of the thermal expansion of water), different model formulations (including porosity evolution) and differences in modelled domain sizes, boundary conditions and grid discretisation. This demonstrates that comparisons between multiple modelling teams and/or comparison with analytical results and experimental data are highly beneficial in providing an indication of uncertainty in model predictions. At the conclusion of Step 0, almost all teams had achieved a close agreement in model results and those that had not achieved an agreement knew the reason for this. Step 1 moved from 2D models to 3D models of the FE experiment without adding technical features like shotcrete or EDZ, and only considering the heating phase. Initially the 3D model was tightly specified to continue to build confidence in the model implementations (Step 1a). The results of Step 1a were compared to the data from the FE-experiment without the teams seeing the data. The teams were then provided with a sub-set of the data from the FE-experiment and invited to consider how best to use the large dataset for model comparison (Step 1b). Teams were then asked to use the data provided to calibrate their models, only changing material property values rather than adding features or processes to their models (Step 1c). In Step 1, teams were asked to only model the heating phase of the experiment, so pressure in the Opalinus Clay was reported as change in pressure since the initial conditions were specified rather than modelled. The change from 2D to 3D models was accompanied by an increase in the dispersion of results between the teams. Some of this was resolved during the task, but some remained and is potentially due to model discretisation. Calibration of parameters was useful in improving the fit of the models to the data but the remaining differences indicated that the models were missing features or processes. In Step 2, the teams were asked to update their models with additional features and processes as well as calibrating parameters to try and improve the fit of the models to the data. Teams were encouraged to represent ventilation of the open FE tunnel prior to backfilling with heaters and bentonite and in Step 2, the absolute pressure in the Opalinus Clay was compared between the teams. Teams took different approaches, but there was consideration of adding shotcrete and an EDZ into the model, representing stress change during excavation and different approaches to modelling ventilation of the FE tunnel. Overall, the documented results showed a very good agreement for temperature. The results for porewater pressure evolution showed a significant improvement for most teams compared to Step 1c with a good agreement to the measurements for several teams whereas some teams overpredicted the pressure increase and others overpredicted the drainage effect especially for the sensors close to the heater. Step 3 was an opportunity for teams to use the models developed in Step 1 and Step 2 to make predictions about the temperature and pressure changes that will be expected at the FE experiment over the next few years in light of the planned changes in thermal output of the heaters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1993

Synthesis and thermal evolution of structure in alkoxide-derived niobium pentoxide gels

Niobium pentoxide gels in the form of transparent monoliths and powder have been synthesized from the controlled hydrolysis and polycondensation of niobium pentaethoxide under different experimental conditions using various mole ratios of Nb(OC2H5)5:H2O:C2H5OH:HCl. Alcohol acted as the mutual solvent and HCl as the deflocculating agent. In the absence of HCl, precipitation of colloidal particles was encountered on the addition of any water to the alkoxide. The gels were subjected to various thermal treatments and characterized by differential thermal analysis, thermogravimetric analysis, x-ray diffraction, and infrared spectroscopy. After drying at 400 C, the gels were amorphous to x-rays. The amorphous powder crystallized into the low-temperature orthorhombic form of Nb2O5 at approximately 500 C, which transformed irreversibly into the high-temperature monoclinic alpha-Nb2O5 between 900 to 1000 C. The kinetics of crystallization of the amorphous niobium pentoxide have been investigated by non-isothermal differential scanning calorimetry. The crystallization activation energy was determined to be 399 kJ/mol.

Bansal, Narottam P.↗

NASA NTRSDate not supplied

Modeling Self-Pressurization and Spray Bar Pressure Control of A Cryogenic Storage Tank in Normal Gravity

This paper presents computational fluid dynamics (CFD) models for simulating self-pressurization and spray-bar pressure control processes in a large-scale liquid hydrogen storage tank under normal gravity conditions. For self-pressurization, the model employs the kinetics-based Schrage equation alongside the volume-of-fluid (VOF) method to account for interfacial mass transfer. The CFD predictions of pressure and temperature are compared with experimental data from the Multipurpose Hydrogen Test Bed (MHTB) experiment, and the predicted interfacial mass transfer rates are also presented. A CFD model simulating pressure control using a spray bar has also been developed. An Eulerian-Lagrangian approach models the interactions between discrete droplets and the continuous ullage (vapor) phase. The spray model is coupled with the VOF method by tracking droplets in the ullage and removing them when they reach the liquid interface. The T-sat model calculates droplet-ullage heat and mass transfer, where droplets warm up to the saturation temperature corresponding to the ullage vapor pressure before evaporating while remaining at the saturation temperature. The evolution of tank pressure, vapor temperature, and liquid temperature predicted by the CFD model is validated against data from the MHTB spray-bar mixing experiment. Overall, the CFD models agree with experimental data, demonstrating their capability to simulate self-pressurization and pressure control processes in large-scale cryogenic storage tanks. These models can be valuable tools for designing and optimizing cryogenic fluid management systems in future applications.

Computational Fluid Dynamics↗

NASA NTRSDate not supplied

Modeling Self-Pressurization and Spray Bar Pressure Control of A Cryogenic Storage Tank in Normal Gravity

This paper presents computational fluid dynamics (CFD) models for simulating self-pressurization and spray-bar pressure control processes in a large-scale liquid hydrogen storage tank under normal gravity conditions. For self-pressurization, the model employs the kinetics-based Schrage equation alongside the volume-of-fluid (VOF) method to account for interfacial mass transfer. The CFD predictions of pressure and temperature are compared with experimental data from the Multipurpose Hydrogen Test Bed (MHTB) experiment, and the predicted interfacial mass transfer rates are also presented. A CFD model simulating pressure control using a spray bar has also been developed. An Eulerian-Lagrangian approach models the interactions between discrete droplets and the continuous ullage (vapor) phase. The spray model is coupled with the VOF method by tracking droplets in the ullage and removing them when they reach the liquid interface. The T-sat model calculates droplet-ullage heat and mass transfer, wherein droplets warm up to the saturation temperature corresponding to the ullage vapor pressure before evaporating while remaining at the saturation temperature. The evolution of tank pressure, vapor temperature, and liquid temperature predicted by the CFD model is validated against data from the MHTB spray-bar mixing experiment. Overall, the CFD models agree with experimental data, demonstrating their capability to simulate self-pressurization and pressure control processes in large-scale cryogenic storage tanks. These models can be valuable tools for designing and optimizing cryogenic fluid management systems in future applications.

Self-Pressurization↗