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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Elongated particles in flow: commentary on small-angle scattering investigations

Here, this work thoroughly examines several analytical tools, each possessing a different level of mathematical intricacy, for the purpose of characterizing the orientation distribution function of elongated objects under flow. Our investigation places an emphasis on connecting the orientation distribution to the small-angle scattering spectra measured experimentally. The diverse range of mathematical approaches investigated herein provide insights into the flow behavior of elongated particles from different perspectives and serve as powerful tools for elucidating the complex interplay between flow dynamics and the orientation distribution function.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Large Eddy Simulations of Turbulent and Buoyant Flows in Urban and Complex Terrain Areas Using the Aeolus Model

Fast and accurate predictions of the flow and transport of materials in urban and complex terrain areas are challenging because of the heterogeneity of buildings and land features of different shapes and sizes connected by canyons and channels, which results in complex patterns of turbulence that can enhance material concentrations in certain regions. To address this challenge, we have developed an efficient three-dimensional computational fluid dynamics (CFD) code called Aeolus that is based on first principles for predicting transport and dispersion of materials in complex terrain and urban areas. The model can be run in a very efficient Reynolds average Navier–Stokes (RANS) mode or a detailed large eddy simulation (LES) mode. The RANS version of Aeolus was previously validated against field data for tracer gas and radiological dispersal releases. As a part of this work, we have validated the Aeolus model in LES mode against two different sets of data: (1) turbulence quantities measured in complex terrain at Askervein Hill; and (2) wind and tracer data from the Joint Urban 2003 field campaign for urban topography. As a third set-up, we have applied Aeolus to simulate cloud rise dynamics for buoyant plumes from high-temperature explosions. For all three cases, Aeolus LES predictions compare well to observations and other models. These results indicate that Aeolus LES can be used to accurately simulate turbulent flow and transport for a wide range of applications and scales.

42 ENGINEERING↗
DOE OSTI2021

Granular Flow Constitutive Model Add-ons For Abaqus

The software is a list of Abaqus User MATerial subroutines (VUMAT) for modeling granular flow physics. It includes (1) density dependent Mohr-Coulomb model, (2) density dependent Drager-Prager\Cap model, (3)Gudehus-Bauer hypoplastic model, and (4) critical state-based NorSand model.

Wencheng, Wencheng↗
DOE OSTI2024

Impact of temperature and concentration on flow behaviour of reconstituted lactose and protein–rich dairy powders

To help with designing the drying process, this study investigated the flow behaviour of lactose and protein-rich reconstituted dairy powders at 25°C and 50°C. Lactose-rich samples, 50% dried whey (DW) and 60% whey protein concentrate (WPC35) did not follow the Herschel–Bulkley model because of presence of lactose crystals. Reconstituted 50% skim milk powder (SMP) and protein-rich dairy powders exhibited shear-thinning behaviour (n < 0.3). With increasing concentration, whey protein concentrate/isolate (WPC80/WPI) and micellar casein concentrate high-solid dispersions exhibited more shear-thinning behaviour (n < 0.4). Furthermore, understanding shear-thinning behaviour of lactose-rich and protein-rich reconstituted dairy powders will provide basis for optimising drying parameters.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Predicting Saturated Hydraulic Conductivity over Time for Degrading Saltstone Vault Concrete - 20376

At the Savannah River Site (SRS), low-level liquid tank waste is mixed with cementitious materials to produce a solid, monolithic waste form referred to as saltstone. The liquid saltstone mixture is pumped into massive concrete structures referred to as saltstone disposal units (SDUs) for curing and long-term storage. SDUs are vaults made of high performance concrete forming a barrier between saltstone and the surrounding environment. Predicting the long-term performance of SDU vault concrete, as well as the saltstone material itself, is critical to understanding the potential releases of radionuclides to the surrounding environment as described in the Saltstone Disposal Facility (SDF) performance assessment (PA). The hydraulic conductivity profile for SDU vault concrete was conservatively assumed to degrade linearly from the initial saturated hydraulic conductivity of the intact concrete over a long period of time. The initial hydraulic properties of saturated SDU vault concrete have been measured, and the final hydraulic properties of degraded vault concrete are assumed to be the same as the porous backfill material that will surround the vault after closure. The assumed final condition of the vault concrete is also conservative in that it provides a greater estimate of water penetration through the vault than would generally be expected. Therefore, insights that provide more realistic but conservative estimates as to how degradation processes may change the hydraulic properties of the SDU vault concrete, the time dependent relationship of the vault concrete hydraulic properties to degradation (and thus time), and the final hydraulic properties of the vault concrete provides useful additions to the SDF PA. This paper focuses on the assumption that the saltstone vault concrete saturated hydraulic conductivity would decrease linearly as a function of degradation time; this assumption resulted from a worst-case, weighted (by relative layer thickness), arithmetic average of intact and backfill material hydraulic conductivities representing flow parallel to a layered system. This research indicates that the effective saturated hydraulic conductivity of the degraded SDU vault concrete should be based on the relative thickness-weighted geometric mean of the intact and degraded layers hydraulic conductivities. This alternative, which is supported extensively in the relevant literature and evaluated in this paper, leads to a more realistic and defensible estimate of the effective saturated hydraulic conductivity in degraded vault concrete while remaining conservative. The impact of using the more realistic estimate of the effective saturated hydraulic conductivity for the degraded concrete decreases the effective saturated hydraulic conductivity by up to several orders of magnitude for early times (i.e., when the SDU vault concrete is assumed degraded via sulfate attack and carbonation). This revised estimate of the effective saturated hydraulic conductivity has been implemented in the recently revised SDF PA. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

zmodel-kokkos

The code implements the so-called ZModel on an unstructured mesh. This models two-phase (or feasibly multi-phase) incompressible flow by meshing and evolving only the interface between materials, and never directly discretizing the bulk flow.

May, Ian↗
DOE OSTI2021

Solidification dynamics in metal additive manufacturing: analysis of model assumptions

Solidification characteristics in the meltpool drive the process-microstructure relationship which helps dictate the material properties of as-built parts in additive manufacturing; therefore, being able to accurately and quickly simulate the size, shape, and solidification characteristics in the melt pool is of great interest to the field. In this study, we investigate various important physical phenomena (dynamic material properties, fluid-flow, radiation and vaporization) which can either be included or neglected in a continuum finite volume model (FVM) and their effect on the solidification conditions. Additionally, since the simplest form of such a model (conduction only) has an analytic solution which is much faster, its viability is also considered. Since the inclusion of some of these physical phenomena will inherently change the net energy input as well as the amount of energy needed to achieve melting of a control volume, each set of included phenomena had an effective absorption efficiency which was calibrated to closely match the dimensions of the melt pool to that of the ground truth data. The ground truth data for this study was defined to be the output of the FVM which included all the physical phenomena (OF). This study then goes on to compare the effects on solidification conditions each of these calibrated models has. It was found that most of the change in solidification conditions comes from the inclusion of latent heat. A posterior correlation factor (PCF) is then introduced to enable an analytic model to predict similar solidification conditions to OF model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Lithium splashing from flowing liquid lithium limiter and its effect on high confinement plasma performance in EAST tokamak

To study the potential applications of liquid lithium (Li) as plasma facing material, the third generation of flowing liquid Li (FLiLi) limiter has been designed and successfully tested in EAST tokamak H-mode discharges in the 2018 run campaign. Here, the stability of liquid Li on FLiLi surface, and Li splashing and its effect on the plasma performance are investigated in detail. Li splashing was observed in L-mode and H-mode discharges due to Rayleigh-Taylor (R-T) instability, resulting from electromagnetic forces J → x B → . Li splashing in low-parameter plasma decreased both core and edge electron temperatures, resulting in the degradation of plasma energy confinement and even H-L back transition, however, it almost did not influence plasma confinement performance in high-parameter plasma. These findings indicate that high-parameter plasma has higher tolerance to Li impurities than low-parameter plasma. By contrast, tungsten splashing from the melted layer on the upper divertor was also induced by the R-T instability but generally resulted in plasma disruption, which suggests lower tolerance to tungsten impurities in EAST tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Development and validation of the cavitation-induced erosion risk assessment tool

This work presents the development of a cavitation-induced erosion risk assessment (CIERA) tool that links multiphase flow simulation predictions with the progress towards material erosion. To develop a robust erosion modeling tool, the cavitation and erosion predictions for pressurized diesel fuel flow within a channel geometry were validated over a range of Reynolds and cavitation number conditions in two different aluminum channel geometries, one featuring a rounded inlet corner and the other with a sharp inlet corner. The multiphase flow development within the channel was modeled using a compressible mixture model, where phase change was represented with the homogeneous relaxation model and the turbulent flow evolution was modeled using a dynamic structure approach for Large Eddy Simulations. To improve representation of the incubation period before material rupture over existing approaches, a physics-based metric was derived based on the cumulative energy absorbed by the solid material from repeated hydrodynamic impacts. When the average peak pressure was related to the incubation period, the incubation period and its sensitivity to changes in flow conditions were found to be overpredicted. In contrast, predictions from CIERA provided a more accurate means to qualitatively and quantitatively predict the influence of flow conditions on the incubation period before material erosion. When the predicted stored energy was related to the solid material properties to estimate the incubation period, multiphase flow simulations demonstrated accurate representation of the sensitivity of erosion severity to changes in flow conditions. The use of CIERA led to quantitative agreement of the predicted incubation period within 5% of the experimentally measured incubation period.

42 ENGINEERING↗
DOE OSTI2021

Prediction of PbLi fluid flow and temperature field in a thermal convection loop for qualification of fusion materials

Two modeling tools, a thermohydraulics code and a computational model in COMSOL Multiphysics, have been developed, tested and then applied to the analysis of fluid flow and heat transfer in a thermal convection loop (TCL). Such a device has recently been used to experimentally evaluate corrosion compatibility of APMT (Fe–21Cr–5Al–3Mo) steel with high-temperature molten eutectic lead-lithium (PbLi) alloy at Oak Ridge National Lab, TN, USA. Here, the 1-D thermohydraulics code allows for rapid calculations of the loop parameters as a function of the applied heat flux. The supplemental COMSOL finite-element computations provide detailed 3-D velocity and temperature field data but are much more time consuming. Both modelling tools demonstrate an excellent agreement in the computed circulation velocity as well as maximum and minimum temperatures. The performed TCL analysis focuses on flow development in the “hot” and “cold” legs, formation of Dean vortices in corner regions, blocking effect of the immersed samples, and radiative and convective cooling effects under the experiment-relevant conditions for Prandtl number Pr = 0.015, Grashof numbers Gr ~10 7 , and Reynolds numbers Re ~10 4 .

36 MATERIALS SCIENCE↗
DOE OSTI2023

Two-dimensional glass transition–like behavior of Janus particle–laden interface

Abstract Understanding the interactive behavior of Janus particles (JPs) is a growing field of research. The enhancement in binding energy, in comparison to homogenous particles, and the dual characteristic of JPs open up new possibilities for novel applications. In many such applications, interfacial materials become subjected to flows that produce dilational and shear stresses. Therefore, it is important to understand the impact that the Janus character brings to interfaces. In this work, we study the microstructure of two-dimensional (2D) JP monolayers formed at the air–water interface and examine the shear viscoelasticity with an interface rheometer that was adapted for in situ surface pressure control via a Langmuir trough. We extend concepts from bulk rheology to data obtained from interfacial rheology as a tool to understand and predict the monolayer’s viscoelastic behavior. Finally, by calculating the time relaxation spectrum from the measured 2D dynamic moduli, we conclude that a phenomenon similar to glass transition is taking place by analogy.

42 ENGINEERING↗
DOE OSTI2022

The Impact of Rolling at Temperature on Conductivity and Texture in Nanolamellar Cu/Nb Bimetallic Composites

We report warm rolling is used to identify whether reductions in dislocation content would provide a significant impact on conductivity in accumulatively roll-bonded Cu-Nb nanolaminates. In addition, the impact of temperature on mechanical properties and interfacial texture is also quantified. Although temperature has a strong effect on dislocation content and mechanical properties, it is shown that length scale and volume fraction are most critical to defining the conductivity of the nanolaminate. Rolling at temperature reduced the flow stress of the material while maintaining the interfacial and layer structure, indicating that warm rolling can increase the ability to process the nanolaminates without reducing conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

On the Strain Rate Sensitivity Measured by Nanoindentation at High Strain Rates

The flow stress of a material can be strongly dependent on the rate of applied strain. Measuring the strain rate sensitivity can reveal key insights into the mechanisms that drive plastic deformation. Indentation techniques have been developed to measure the strain rate sensitivity at quasistatic strain rates, but accessing higher strain rate regimes has been saddled with experimental and technical challenges. With state-of-the-art indentation instrumentation now capable of recording load and displacement at data acquisition rates in excess of 1.25 MHz, we report how strain rate sensitivity testing methodologies, especially those aimed for higher indentation strain rates, may be validated using the well-studied time-dependent deformation behavior of tungsten. Here, the strain rate sensitivity for a (110) single crystal is shown to be consistent (m = 0.023 at 2 µm depth) across all tested strain rates and methods ranging from 10 -2 - 10 4 1/s.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Insights into the interaction of nitrobenzene and the Ag(111) surface: A DFT study

Here, this study explores the potential of nitrobenzene as an anolyte material for nonaqueous redox flow batteries (RFBs) by theoretically examining its low-coverage adsorption behavior on neutral and charged Ag(111) model electrode surfaces. At the low coverage limit, DFT calculations show a preference for nitrobenzene to adsorb parallel to the surface, with the benzene ring and nitro group centered over HCP sites. Interactions between nitrobenzene and the surface were analyzed using induced charge density analysis, Bader charge analysis, and projected density of states (PDOS). It was found that nitrobenzene adsorbs primarily through van der Waals interactions with the surface. As nitrobenzene accumulates negative charge, the strength of adsorption diminishes. Understanding the electrode-electrolyte interface is crucial for enhancing RFB electrochemical performance, and this study sheds light on nitrobenzene's interaction with a model Ag electrode.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Morphology, Deformations, and Photocatalytic Activity of Thermally Treated Brookite Titanium Dioxide Thin Films

Metastable states, in which the coupling between long-range lattice deformations and electronic properties can be controlled, provide a pathway to tailoring the behavior of photocatalytic materials by directing the flow of photoinduced charge carriers. Brookite is a metastable polymorph of earth-abundant TiO 2 that exhibits photocatalytic function and, due to its high energy relative to the anatase and rutile polymorphs, may serve as a precursor for the formation of transitional metastable structures. In this work, facile thermal annealing is employed to promote the formation of predominantly brookite-phase films, regulate the brookite lattice distortions, and determine the effect of these distortions on charge separation, ultimately directed at enhancing photocatalytic activity. Profile fitting of X-ray diffraction patterns and peak shifts in Raman spectra revealed structural distortions of the brookite lattice. Structural defects, including lattice gliding, dislocations, stacking faults, and twin boundaries, were observed using scanning transmission electron microscopy. First-principles simulations reveal how the lattice distortions associated with stacking faults induce band bending, thus increasing the photocatalytic activity of brookite. In conclusion, this study provides insight into the microstructural tuning of metastable phases to enhance their unique functionalities.

band bending↗
DOE OSTI2024

Kinetic Control over Disproportionation Stabilizes Wurster’s Blue Catholyte for Nonaqueous Redox Flow Batteries

Redoxmers are organic molecules that serve as charge carriers in redox flow batteries. While these materials are affordable and easy to source, insufficient stability of their charged states (radical ions) remains a challenge. A common reaction of these species is their disproportionation. Furthermore, this reversible reaction yields unstable multiply charged states, shifting the overall charge transfer equilibrium toward the decomposition products. Here we show how kinetic controls can be engineered into a redoxmer molecule to suppress these unwanted charge transfer reactions. This approach is used to transform Wurster's blue, which is historically the first example of a stable radical ion in organic chemistry, into an exceptionally durable redoxmer molecule that persists over thousands of electrochemical cycles.

Cations↗
DOE OSTI2021

Influence of magnetic angle on the E × B drift in a magnetic presheath

In this work, we provide experimental measurements of the E X B flow above a non-magnetic, absorbing boundary in a magnetized plasma. Measurements are taken as a function of the angle between the background magnetic field and the boundary normal. The measurements are compared to computational predictions for oblique magnetic fields based on Chodura's model. Ion flow measurements were obtained with laser induced fluorescence and the presheath potential structure was measured with an emissive probe. The ions were found to accelerate to nearly 30% of the sound speed parallel to the boundary at oblique angles of the magnetic field (~80°) and the ion speed at the electrostatic sheath edge was found to decrease with angle. The edge of the magnetic presheath has been experimentally determined based on the appearance of the E X B drift and is found to be independent of the angle of the magnetic field. We also demonstrate that laser induced fluorescence is suitable as a non-perturbative diagnostic to measure the electric field in a magnetized sheath.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗