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At least 559 records · Page 31

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Development and Validation of a Slosh-Based Ullage Collapse Model

Ullage collapse modeling is an essential tool for the success of spacecraft powered by cryogenic propellants. The degree of ullage collapse can have a major impact on the design of cryogenic propellant tanks as well as the mission’s concept of operations. Additional commodities (e.g., helium gas for pressure control) and their quantities are dependent on the amount of heat transfer and phase change of propellants expected during flight. Currently, high-fidelity computational fluid dynamics (CFD) with heat transfer and phase change is the most accurate method for predicting ullage collapse. CFD simulations of this kind, however, can become very costly for problems requiring large domains, long simulation times, or significant liquid motion. Consequently, there is a need for a reduced order model to provide fast responses which can be used in engineering design decisions. The proposed numerical model is a nodal approach, augmented by outputs from CFD analyses that are generated rapidly and reliably. These outputs include transient values for liquid-vapor interface area, interface velocity, and liquid position using a volume of fluid (VoF) method. There are several benefits of combining a nodal approach with slosh predictions from CFD simulations: leveraging of the Loci/STREAM-VoF solver that has been validated in high-g and low-g environments, rapid modeling of VoF with isothermal propellant simplifications and relatively coarse meshes, and improved model predictions from the nodal tool. The nodal approach, informed by the slosh predictions from CFD, assumes uniform conditions in the liquid and gas domains. Modifications to account for temperature stratification in the liquid and gas may be implemented as a future improvement. Thermodynamic changes within the tank are solved at user-defined timesteps. First, impacts due to mass entering or leaving the control volume are captured. Second, heat transfer impacts are accounted for by tracking the volume of the gas which has been contacted by liquid in that timestep and rebalancing the internal energy. Finally, phase change is approximated using the area and velocity of the interface. The tank conditions are re-computed by conserving mass and energy. Calibration of the model to several test flights and experiments are required to baseline the predictive power and uncertainty. The final product will enable designers and engineers to create quick-turnaround predictions for ullage collapse and inform design feasibility.

Computational Fluid Dynamics↗

DOE OSTI2025

Predictive dynamic wetting, fluid–structure interaction simulations for braze run-out

Brazing and soldering are metallurgical joining techniques that use a wetting molten metal to create a joint between two faying surfaces. Here, the quality of the brazing process depends strongly on the wetting properties of the molten filler metal, namely the surface tension and contact angle, and the resulting joint can be susceptible to various defects, such as run-out and underfill, if the material properties or joining conditions are not suitable. In this work, we implement a finite element simulation to predict the formation of such defects in braze processes. This model incorporates both fluid–structure interaction through an arbitrary Eulerian–Lagrangian technique and free surface wetting through conformal decomposition finite element modeling. Upon validating our numerical simulations against experimental run-out studies on a silver-Kovar system, we then use the model to predict run-out and underfill in systems with variable surface tension, contact angles, and applied pressure. Finally, we consider variable joint/surface geometries and show how different geometrical configurations can help to mitigate run-out. This work aims to understand how brazing defects arise and validate a coupled wetting and fluid–structure interaction simulation that can be used for other industrial problems.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Enhancing photoionization rate calculations in low-temperature plasmas using spectral methods

Photoionization plays a central role in the development of streamer discharges and other non-equilibrium plasma phenomena. It creates seed electrons, which are essential for positive streamer propagation, allowing the ionization front to move forward. Because of this, accurate modeling of photoionization is very important for predicting streamer behavior and plasma evolution. The photoionization process in air (N 2 – O 2 mixture) is often described by the Zheleznyak model (1982). This model is usually solved through Helmholtz-type equations that approximate the Zheleznyak photoionization model (Zheleznyak et al. 1982) as Partial Differential Equations (PDEs). Conventional numerical methods, such as the Finite Difference Method (FDM) or Finite Volume Method (FVM), are widely used to solve these equations. Although they are prevalent, the computational cost of these methods due to their need for matrix operations and iterative solver is demanding. To address this challenge, this work develops a spectral solver based on the Fast Fourier Transform (FFT) combined with Discrete Cosine Transform (DCT) and Discrete Sine Transform (DST) to calculate the photoionization rate efficiently in an axisymmetric cylindrical domain. This method naturally satisfies the boundary conditions used in the model and converts the PDE into algebraic ones in spectral space. Thus, avoids the need for iterative matrix solvers. When compared with FDM results, it is demonstrated that the new solver not only maintains accuracy, but also reduces the computational cost, showing a performance increase of approximately 100 compared to FDM over a wide range of problem sizes. The method is parallelized using Message Passing Interface (MPI) and has been integrated into a fluid plasma model for streamer simulation. Here, this FFT-based approach provides a fast and reliable alternative for calculating photoionization in fluid models, helping large-scale plasma simulations run faster and efficiently, and allows higher-resolution simulation without extra computational cost.

Axisymmetric system↗

DOE OSTI2023

A thermodynamic model of integrated liquid-to-liquid thermoelectric heat pump systems

Thermoelectric (TE) heat pumps (TEHPs) are advantageous for heating and cooling in various applications because of their modularity and simple design. A TEHP system includes the TE modules with p- and n-type materials bonded to substrates, plus heat exchangers, thermal interfaces to the heat exchangers, and heat transfer fluids. Although modeling an individual TE module has been extensively studied, limited studies have reported performance at the larger system-level. Furthermore, no prior study has addressed the impact of temperature-dependent TE material properties (e.g., electric resistivity, thermal conductivity, and Seebeck coefficient) on overall heat-pump-system-level performance. Here, this work presents a mathematical model for TEHP system performance based on Goldsmid's approach for TE material performance, “effective” TE material properties, Gnielinski's correlation for convective heat transfer, and thermal balance theory for a heat exchange network. This combined approach provides an accurate model of the liquid-to-liquid TEHP system. Three different approaches—one empirical, one based on the manufacturer's specifications, and one drawn from the literature—were then used to determine values for TE material properties. The first two methods treated properties as constants, while the last approach treated properties as surface-temperature-based functions. Finally, experimental TEHP data was used to validate the models, all with relative absolute deviations of approximately 10% when predicting heating capacity and 10%–25% when forecasting cooling capacity up to a 30 K surface temperature lift. The results demonstrated that, at the TEHP system level, the TE material properties could be treated as constants, avoiding solver iterations and reducing the performance uncertainty by up to 95%.

42 ENGINEERING↗

DOE OSTI2026

Hydrogen Adsorption over Transition Metals in Water

The adsorption free energy of atomic hydrogen on Pt(111), Pd(111), Ni(111), Ru(0001), Cu(111), and Rh(111) in liquid water was computed using a quantum mechanical/molecular mechanical free-energy perturbation scheme. The Pt(111) computations indicate that the solvent effect on H adsorption on atop sites (+0.20 eV) is almost twice that on fcc (+0.12 eV), showing it is less likely to find adsorbed hydrogen in atop position in the presence of water than in the gas phase. The solvent effect for the fcc site, which is the most favorable site for adsorbed H on Pt(111), agrees qualitatively with experimental work by Lercher et al., who reported an effect of +0.2 eV. Overall, an endergonic solvent effect for hydrogen adsorption is observed for all metals, indicating a lower hydrogen coverage relative to free site coverage at metal-water interfaces compared to metal-gas interfaces, even when hydrogen transport effects through the fluid phase are negligible; a result with important implications for (de)hydrogenation catalysis.

Zare, Mehdi↗

DOE OSTI2020

Strong correlations and orbital texture in single-layer 1T-TaSe2

© 2020, The Author(s), under exclusive licence to Springer Nature Limited. Strong electron correlation can induce Mott insulating behaviour and produce intriguing states of matter such as unconventional superconductivity and quantum spin liquids. Recent advances in van der Waals material synthesis enable the exploration of Mott systems in the two-dimensional limit. Here we report characterization of the local electronic properties of single- and few-layer 1T-TaSe2 via spatial- and momentum-resolved spectroscopy involving scanning tunnelling microscopy and angle-resolved photoemission. Our results indicate that electron correlation induces a robust Mott insulator state in single-layer 1T-TaSe2 that is accompanied by unusual orbital texture. Interlayer coupling weakens the insulating phase, as shown by reduction of the energy gap and quenching of the correlation-driven orbital texture in bilayer and trilayer 1T-TaSe2. This establishes single-layer 1T-TaSe2 as a useful platform for investigating strong correlation physics in two dimensions.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Analytical model for drag reduction on liquid-infused structured non-wetting surfaces

Liquid-infused structured non-wetting surfaces provide alternating no-slip and partial slip boundary conditions to the fluid flow, resulting in reduced friction at the interface. In this paper, an analytical model is developed for the evaluation of effective slip and, in turn, friction factor and drag reduction on liquid-infused structured non-wetting surfaces. By considering the entire range of anisotropy and heterogeneity of the surface structures as well as the full range of partial slip offered by the infusion liquid, the present model eliminates empirical fitting or correlations that are inherent in previous studies. Based on the effective slip length, drag reduction and skin friction coefficient values for Newtonian flow between two infinite parallel plates and flow in round tubes are presented. Extension of Moody charts for non-wetting surfaces and design maps of surface meso/micro/nano texturing for achieving desired drag reduction are presented for a broad range of engineering applications. The paper further presents independent validation of the model across experimental and computational data from the literature and brings together several previous studies in a unified manner.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Effect of surface properties and polymer chain length on polymer adsorption in solution

In polymer nanoparticle composites (PNCs) with attractive interactions between nanoparticles (NPs) and polymers, a bound layer of the polymer forms on the NP surface, with significant effects on the macroscopic properties of the PNCs. The adsorption and wetting behaviors of polymer solutions in the presence of a solid surface are critical to the fabrication process of PNCs. In this study, we use both classical density functional theory (cDFT) and molecular dynamics (MD) simulations to study dilute and semi-dilute solutions of short polymer chains near a solid surface. Using cDFT, we calculate the equilibrium properties of polymer solutions near a flat surface while varying the solvent quality, surface–fluid interactions, and the polymer chain lengths to investigate their effects on the polymer adsorption and wetting transitions. Using MD simulations, we simulate polymer solutions near solid surfaces with three different curvatures (a flat surface and NPs with two radii) to study the static conformation of the polymer bound layer near the surface and the dynamic chain adsorption process. Additionally, we find that the bulk polymer concentration at which the wetting transition in the poor solvent system occurs is not affected by the difference in surface–fluid interactions; however, a threshold value of surface–fluid interaction is needed to observe the wetting transition. We also find that with good solvent, increasing the chain length or the difference in the surface–polymer interaction relative to the surface–solvent interaction increases the surface coverage of polymer segments and independent chains for all surface curvatures. Finally, we demonstrate that the polymer segmental adsorption times are heavily influenced only by the surface–fluid interactions, although polymers desorb more quickly from highly curved surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Kinetic mix at gas-shell interface in inverted corona fusion targets

Gas-filled, laser-driven “inverted corona” fusion targets have attracted interest as a low-convergence neutron source and platform for studying kinetic physics. At the fill pressures under investigation, ejected particles from the shell can penetrate deeply into the gas before colliding, leading to significant mixing across the gas–shell interface. Here, we use kinetic-ion, fluid-electron hybrid particle-in-cell simulations to explore the nature of that mix. Simulations of the system demonstrate characteristics of a weakly collisional electrostatic shock, whereby a strong electric field accelerates shell ions into the rarefied gas and reflects upstream gas ions. This interpenetration is mediated by collisional processes: At higher initial gas pressure, fewer shell particles pass into the mix region and reach the hotspot. This effect is detectable through neutron yield scaling vs gas pressure. Predictions of neutron yield scaling show excellent agreement with experimental data recorded at the OMEGA laser facility, suggesting that 1D kinetic mechanisms are sufficient to capture the mix process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

TMAP7

TMAP7 was developed by the Fusion Safety Program at INL primarily as a safety analysis code, to analyze tritium retention and loss in fusion reactor structures and systems during normal operation and accident conditions. TMAP7 solves one-dimensional thermal- and mass-diffusive transport and trapping equations for transport through structures, across the interface between enclosures and structures, and zero dimensional fluid transport between enclosures.

Humrickhouse, PaulW.↗

DOE OSTI2021

TMAP4

TMAP4 was developed by the Fusion Safety Program at INL primarily as a safety analysis code, to analyze tritium retention and loss in fusion reactor structures and systems during normal operation and accident conditions. TMAP4 solves one-dimensional thermal- and mass-diffusive transport and trapping equations for transport through structures, across the interface between enclosures and structures, and zero dimensional fluid transport between enclosures.

Humrickhouse, PaulW.↗

NASA NTRS1971

Reduction of valve leakage - A concept

Leakage elimination occurs by increasing pressure on poppet seat, heating poppet plunger or cooling valve body, and then exerting force between 4.45 and 44.5 kN at poppet seat interface. Valves are useful in handling of corrosive fluids.

Doshi, N. H.↗

NASA NTRS1973

Electrohydrodynamically coupled Kelvin-Helmholtz instability

An inviscid model of the surface dynamics at the interface between two parallel-flowing insulating dielectric fluids, subject to a tangential electric field with a weak gradient, is developed. The two flows are oppositely directed, resulting in an electrohydrodynamically coupled Kelvin-Hemholtz instability. A simple stability criterion is used successfully to correlate experimental data obtained with a test configuration.

Perry, M. P.↗

NASA NTRS1986

Aspects of the equilibrium puff in transitional pipe flow

In the transitional pipe flow-visualization studies presently undertaken to investigate the self-sustenance mechanism of a turbulent equilibrium puff, the upstream laminar fluid continuously enters the relatively more slowly moving turbulent puff around the pipe center. The passage of this high speed laminar plug flow past the slower fluid residing near the wall at the upstream interface leads to the shedding of a train of three-dimensional, wake-like vortices near the wall. The prominent feature of the decay region is a series of longitudinal vortices that appear to be undergoing stretching.

Bandyopadhyay, P. R.↗

NASA NTRS1988

Superfluid Helium Tanker (SFHT) study

The accomplishments and recommendations of the two-phase Superfluid Helium Tanker (SFHT) study are presented. During the first phase of the study, the emphasis was on defining a comprehensive set of user requirements, establishing SFHT interface parameters and design requirements, and selecting a fluid subsystem design concept. During the second phase, an overall system design concept was constructed based on appropriate analyses and more detailed definition of requirements. Modifications needed to extend the baseline for use with cryogens other than SFHT have been determined, and technology development needs related to the recommended design have been assessed.

Source record↗

NASA NTRS1990

Buoyancy-driven instabilities and the nonlinear breakup of a sheared magnetic layer

Motivated by problems concerning the storage and subsequent escape of the solar magnetic field, a study has been made of how a magnetic layer embedded in a convectively stable atmosphere evolves due to axisymmetric instabilities driven by magnetic buoyancy. The initial equilibrium consists of a toroidal field sheared by a weaker poloidal component. The linear stability problem is investigated for both ideal and resistive MHD, and the nonlinear evolution is followed by numerical integration of the equations of motion. In all cases, the instability is greatly affected by the distribution and strength of the poloidal field. In particular, both the horizontal and vertical scales of the motions are controlled by the location of the surface on which the poloidal field vanishes: the resonant surface. In the nonlinear regime, a resonant surface close to the interface between the magnetized and field-free fluid leads to the localization of the instability, so that only a fraction of the magnetic region is disrupted by the motions. By contrast, a deeply seated resonant surface leads to the complete disruption of the layer and to the formation of large, helical magnetic fragments whose identity is preserved for the entire simulation.

Cattaneo, Fausto↗

NASA NTRS1993

Boundary layer flow of air over water on a flat plate

A non-similar boundary layer theory for air blowing over a water layer on a flat plate is formulated and studied as a two-fluid problem in which the position of the interface is unknown. The problem is considered at large Reynolds number (based on x), away from the leading edge. A simple non-similar analytic solution of the problem is derived for which the interface height is proportional to x(sub 1/4) and the water and air flow satisfy the Blasius boundary layer equations, with a linear profile in the water and a Blasius profile in the air. Numerical studies of the initial value problem suggests that this asymptotic, non-similar air-water boundary layer solution is a global attractor for all initial conditions.

Nelson, John↗

NASA NTRS1999

Surface Tension and Fingering of Miscible Interfaces

Experiments on miscible, buoyantly unstable reaction-diffusion fronts and non-reacting displacement fronts in Hele-Shaw cells show a fingering-type instability whose wavelengths (lambda*) are consistent with an interfacial tension (sigma) at the front caused by the change in chemical composition, even though the solutions are miscible in all proportions. In conjunction with the Saffman-Taylor model, the relation sigma = K/tau, where tau is the interface thickness and K approximately equal 4 +/- 2 x 10(exp -6) dyne, enables prediction of our measured values of lambda* as well as results from prior experiments on miscible interfaces. These results indicate that even for miscible fluids, surface tension is generally a more significant factor than diffusion in interfacial stability and flow characteristics.

Abib, Mohammed↗