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NASA NTRS2020

Turbulent mixing in supercritical jets: effect of compressibility factor and inflow condition

Fuel injection and turbulent mixing at supercritical pressures determines ignition and combustion in numerous engineering applications. Flow evolution under such conditions is characterized by strong non-linear coupling between dynamics, transport coefficients, and thermodynamics. Experimental studies observe that the jets injected at supercritical pressures exhibit significantly different dynamics from the jets at subcritical conditions, owing to the lack of distinct liquid and gas phases in supercritical state. Thus, the averaged flow quantities such as the potential core length, jet spatial growth rate and velocity decay profiles differ in the two conditions, resulting in different mixed-fluid distributions. In this study, turbulent jet direct numerical simulations (DNS) are performed to examine the variations in flow statistics between injection of Nitrogen (N₂) in Nitrogen (N₂) at both subcritical (perfect-gas) and supercritical conditions. In all cases, isothermal round jets at Reynolds number (Re_{D}), based on jet diameter (D) and jet orifice velocity (U₀), of 5000 are considered. For mixing analyses, a passive scalar transported with the flow is examined.

Sharan, Nek↗

DOE OSTI2022

Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires

Abstract Indium antimonide (InSb) nanowires are used as building blocks for quantum devices because of their unique properties, that is, strong spin‐orbit interaction and large Landé g‐factor. Integrating InSb nanowires with other materials could potentially unfold novel devices with distinctive functionality. A prominent example is the combination of InSb nanowires with superconductors for the emerging topological particles research. Here, the combination of the II–VI cadmium telluride (CdTe) with the III–V InSb in the form of core–shell (InSb–CdTe) nanowires is investigated and potential applications based on the electronic structure of the InSb–CdTe interface and the epitaxy of CdTe on the InSb nanowires are explored. The electronic structure of the InSb–CdTe interface using density functional theory is determined and a type‐I band alignment is extracted with a small conduction band offset ( ⩽0.3 eV). These results indicate the potential application of these shells for surface passivation or as tunnel barriers in combination with superconductors. In terms of structural quality, it is demonstrated that the lattice‐matched CdTe can be grown epitaxially on the InSb nanowires without interfacial strain or defects. These shells do not introduce disorder to the InSb nanowires as indicated by the comparable field‐effect mobility measured for both uncapped and CdTe‐capped nanowires.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Extension of Clad Damage Propagation Model for Fission Gas Dispersal and Two-Phase Flow Effects in MOOSE SubChannel Module

This report presents an extension of the Clad Damage Propagation (CDAP) model implemented in the MOOSE SubChannel Module (SCM) to capture post-failure fission-gas dispersal and two-phase flow effects in sodium-cooled fast reactor assemblies. The extended model tracks discharged gas axially and radially, computes channel-averaged flow quality and void fraction using a Lockhart–Martinelli framework, evaluates two-phase frictional pressure-drop multipliers, determines inlet mass-flow degradation under fixed core pressures, and applies an intensified-void-based heat-transfer degradation to affected fuel pins. Radial plume expansion is parameterized using mineral-oil jet experiments mapped to sodium conditions via Reynolds–Weber similarity. Implementation details are documented, along with the new methods and user inputs needed to control plume mapping and two-phase behavior. Demonstration simulations for 19- and 37-pin bundles show that breach size and inlet velocity strongly influence propagation potential: small breaches (≤0.5 mm) produce limited degradation while larger breaches (~1 mm) can drive oscillatory temperature spikes and enhanced failure propagation, especially at higher velocities. These results demonstrate that the extended CDAP model provides a more complete framework for quantifying cladding damage propagation and evaluating propagation potential in transient scenarios. The approach remains computationally efficient, consistent with subchannel-level analysis, yet incorporates sufficient physics to bridge localized post-failure effects with bundle- and assembly-scale degradation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRSDate not supplied

Flow Characterization of the NASA Langley Unitary Plan WindTunnel, Test Section 2: Computational Results

Flow in the empty Unitary Planform Wind Tunnel at the NASA Langley Research Center issimulated with computational fluid dynamics methods. The objectives are to assess CFD’s truepredictive capability and to generate flow-field maps upstream of the tunnel’s test section foruse in associated vehicle tests. Multiple CFD solvers, grid adaption methods, and turbulencemodels are used by five teams doing the simulations. The simulation domain is as large aspractical: from the start of the settling chamber, just downstream of the last set of turningvanes, to well downstream of the test section. Simulations are done at three Mach numbers andseveral Reynolds numbers that cover most of the tunnel’s operating range. The sensitivity ofthe CFD solutions to simulation process details, including turbulence model, spatial resolutionand settling-chamber inflow velocity profile, is characterized. Significant sensitivities in somedetails of the predicted test section flow are described. CFD predicts that details of flow inthe settling chamber can affect the flow in the test section. Turning of the flow through thetunnel contraction and past nozzle-block hardware generates streamwise vortices, some ofwhich survive into the core of the test section, principally at low Mach number. Preliminarycomparisons to experimental measurements are given. The major flow characteristics andthe dynamical vortices predicted by CFD exist in the experiment. Several details in CFD andexperiment are observed to differ, including the effects of the vortices and features that appearto be Mach waves in the test section. Sensitivity to grid resolution and turbulence modelingis noted in the vortices; no potential cause for the differences in Mach waves has yet beenidentified in the CFD sensitivity studies.

wind tunnel↗

NASA NTRS2023

The Regional Aerosol Model Intercomparison Project (RAMIP)

Changes in anthropogenic aerosol emissions have strongly contributed to global and regional trends in temperature, precipitation, and other climate characteristics and have been one of the dominant drivers of decadal trends in Asian and African precipitation. These and other influences on regional climate from changes in aerosol emissions are expected to continue and potentially strengthen in the coming decades. However, a combination of large uncertainties in emission pathways, radiative forcing, and the dynamical response to forcing makes anthropogenic aerosol a key factor in the spread of near-term climate projections, particularly on regional scales, and therefore an important one to constrain. For example, in terms of future emission pathways, the uncertainty in future global aerosol and precursor gas emissions by 2050 is as large as the total increase in emissions since 1850. In terms of aerosol effective radiative forcing, which remains the largest source of uncertainty in future climate change projections, CMIP6 models span a factor of 5, from −0.3 to −1.5 W m−2. Both of these sources of uncertainty are exacerbated on regional scales. The Regional Aerosol Model Intercomparison Project (RAMIP) will deliver experiments designed to quantify the role of regional aerosol emissions changes in near-term projections. This is unlike any prior MIP, where the focus has been on changes in global emissions and/or very idealised aerosol experiments. Perturbing regional emissions makes RAMIP novel from a scientific standpoint and links the intended analyses more directly to mitigation and adaptation policy issues. From a science perspective, there is limited information on how realistic regional aerosol emissions impact local as well as remote climate conditions. Here, RAMIP will enable an evaluation of the full range of potential influences of realistic and regionally varied aerosol emission changes on near-future climate. From the policy perspective, RAMIP addresses the burning question of how local and remote decisions affecting emissions of aerosols influence climate change in any given region. Here, RAMIP will provide the information needed to make direct links between regional climate policies and regional climate change. RAMIP experiments are designed to explore sensitivities to aerosol type and location and provide improved constraints on uncertainties driven by aerosol radiative forcing and the dynamical response to aerosol changes. The core experiments will assess the effects of differences in future global and regional (Africa and the Middle East, East Asia, North America and Europe, and South Asia) aerosol emission trajectories through 2051, while optional experiments will test the nonlinear effects of varying emission locations and aerosol types along this future trajectory. All experiments are based on the shared socioeconomic pathways and are intended to be performed with 6th Climate Model Intercomparison Project (CMIP6) generation models, initialised from the CMIP6 historical experiments, to facilitate comparisons with existing projections. Requested outputs will enable the analysis of the role of aerosol in near-future changes in, for example, temperature and precipitation means and extremes, storms, and air quality.

anthropogenic aerosol emissions↗

DOE OSTI2023

Validation of Robustness in TCR Design Strategies

Advanced Manufacturing (AM) has been identified as one of key pathways in accelerating deployment of next generation of nuclear power plants. The nuclear industry continues to predominately rely on fabrication techniques and materials that their codes and standards were approved decades ago. This legacy approach in the highly regulated nuclear sector has brought uncertainty to commercial viability of nuclear energy in the U.S. The Transformational Challenge Reactor (TCR), sought to utilize AM methods for fabrication of a High Temperature Gas Reactor (HTGR). The program sought to leverage AM to construct a non-conventional geometry made up of TRISO fuel and hydride moderator in SiC matrix. This project objective was to provide independent analysis of the core configuration with separate set of tools and approaches than utilized by the TCR team in a 2-year time frame. This NEUP project also tackled a question: Can AM be a cost-effective tool in changing the commercial paradigm of nuclear. We investigated this question in-context of a micro HTGR. While respecting the inherit uncertainty in our input parameters, overall we saw that AM has potential in improving economic competitiveness of nuclear energy when employed on multiple fronts (i.e. few percentage cost improvement per component). Given realizing AM requires mass orders and large R&D investment for commercial utilization, Department of Energy should focus its support on few key enabling technologies and support their codes and standards development and qualification cost (including irradiation as applicable) rather than taking a diluted approach.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Multigroup Thermal Radiation Transport with Tensor Trains

We investigate the application of tensor-train (TT) algorithms to multigroup thermal radiation transport (i.e., photon radiation transport). The TT framework enables simulations at discretizations that might otherwise be computationally infeasible on conventional hardware. We show that solutions to certain multigroup problems possess an intrinsic low-rank structure, which the TT representation leverages effectively. This enables us to solve problems where the discretized solution size exceeds a trillion parameters on a single node. The solver is evaluated on a range of test problems with varying levels of complexity, consistently achieving compression factors greater than 100× and speedups exceeding 2×. We also investigate alternative TT topologies by analyzing the low-rank structure of the merged spatio-spectral core to assess the potential for greater compression. This analysis suggests that compression gains could increase by factors as large as 7. Our results indicate that the low-rank structure of the merged spatio-spectral core captures the spatio-spectral complexity of the solution, largely driven by the opacity structure of the medium. Beyond identifying opportunities for improved compression, this analysis highlights the types of errors that may arise in angle-integrated quantities when exploiting this low-rank structure.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Constraining the $\overline{K}$N coupled channel dynamics using femtoscopic correlations at the LHC

The interaction of K – with protons is characterised by the presence of several coupled channels, systems like $\overline{K}$ 0 n and πΣ with a similar mass and the same quantum numbers as the K – p state. The strengths of these couplings to the K – p system are of crucial importance for the understanding of the nature of the Λ(1405) resonance and of the attractive K – p strong interaction. In this article, we present measurements of the K – p correlation functions in relative momentum space obtained in pp collisions at $\sqrt{s}$=13 Te, in p–Pb collisions at $\sqrt{s_{NN}}$= 5.02 Te, and (semi)peripheral Pb–Pb collisions at $\sqrt{s_{NN}}$= 5.02 Te. The emitting source size, composed of a core radius anchored to the K + p correlation and of a resonance halo specific to each particle pair, varies between 1 and 2 fm in these collision systems. The strength and the effects of the $\overline{K}$ 0 n and πΣ inelastic channels on the measured K – p correlation function are investigated in the different colliding systems by comparing the data with state-of-the-art models of chiral potentials. A novel approach to determine the conversion weights ω, necessary to quantify the amount of produced inelastic channels in the correlation function, is presented. In this method, particle yields are estimated from thermal model predictions, and their kinematic distribution from blast-wave fits to measured data. The comparison of chiral potentials to the measured K – p interaction indicates that, while the πΣ –K – p dynamics is well reproduced by the model, the coupling to the $\overline{K}$ 0 n channel in the model is currently underestimated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1983

On the shock cell structure and noise of supersonic jets

A linear solution modeling the shock cell structure of an axisymmetric supersonic jet operated at off-design conditions is developed by the method of multiple-scales. The model solution takes into account the gradual spatial change of the mean flow in the downstream direction. Turbulence in the mixing layer of the jet has the tendency of smoothing out the sharp velocity and density gradients induced by the shocks. To simulate this effect, eddy viscosity terms are incorporated in the model. It is known that the interaction between the quasi-periodic shock cells and the downstream propagating large turbulence structures in the mixing layer of the jet is responsible for the generation of broadband shock associated noise. Experimentally, the dominant part of this noise has been found to originate from the part of the jet near the end of the potential core. Calculated shock cell spacing at the end of the jet core according to the present model is used to estimate the peak frequencies of the shock associated noise for a range of observation angles. Very favorable agreement with experimental measurements is found.

Tam, C. K. W.↗

NASA NTRS2020

Effect of Pressure on the Activity Coefficients of Au and Other Siderophile Elements in Liquid Fe-Si Alloys

Light elements can alloy into the iron cores of terrestrial planetary bodies. It is estimated that the Earth’s core contains ~10% of a light element, most likely a combination of S, C, Si, and O with Si probably being the most abundant. Si dissolved into Fe metal liquids can have a significant influence on the activity coefficients of siderophile elements, and thus the partitioning behavior of those elements between the core and mantle. Many of these elements have been investigated extensively at ambient pressure, and studies up to 1 GPa are becoming more common, but few have been studied at pressures above this. The formation of the Earth’s core has been estimated to have formed at pressures between 40-60 GPa, so investigating the effect pressure has on Si’s influence on siderophile element partitioning is important for modeling core formation in the Earth and smaller planets. Pressure is well known to influence volumetric properties of metallic and silicate liquids, and oxygen fugacity (e.g., [10,11]), but less is known about its effect on activity coefficients (e.g., [12]). Some activity coefficients depend strongly upon the Si content of Fe liquids, and the concentration of siderophile elements such as P, Sb, and As in the terrestrial mantle is easily influenced by dissolved Si in the core. Thus, isolating the effect of pressure on activity coefficients in general is critical in quantitative analysis of core formation models. In this work, we investigate the effect variable Si content has on the partitioning of Au between Fe metal and silicate melt at 10 GPa and 2373 K, with the intention of comparing the behavior to that already investigated at lower pressures. In addition, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb were also measured and could thus be included in the assessment of potential pressure effects.

Righter, K.↗

NASA NTRS1959

NASA Reactor Facility Hazards Summary

The Lewis Research Center of the National Aeronautics and Space Administration proposes to build a nuclear research reactor which will be located in the Plum Brook Ordnance Works near Sandusky, Ohio. The purpose of this report is to inform the Advisory Committee on Reactor Safeguards of the U. S. Atomic Energy Commission in regard to the design Lq of the reactor facility, the characteristics of the site, and the hazards of operation at this location. The purpose of this research reactor is to make pumped loop studies of aircraft reactor fuel elements and other reactor components, radiation effects studies on aircraft reactor materials and equipment, shielding studies, and nuclear and solid state physics experiments. The reactor is light water cooled and moderated of the MTR-type with a primary beryllium reflector and a secondary water reflector. The core initially will be a 3 by 9 array of MTR-type fuel elements and is designed for operation up to a power of 60 megawatts. The reactor facility is described in general terms. This is followed by a discussion of the nuclear characteristics and performance of the reactor. Then details of the reactor control system are discussed. A summary of the site characteristics is then presented followed by a discussion of the larger type of experiments which may eventually be operated in this facility. The considerations for normal operation are concluded with a proposed method of handling fuel elements and radioactive wastes. The potential hazards involved with failures or malfunctions of this facility are considered in some detail. These are examined first from the standpoint of preventing them or minimizing their effects and second from the standpoint of what effect they might have on the reactor facility staff and the surrounding population. The most essential feature of the design for location at the proposed site is containment of the maximum credible accident.

Source record↗

DOE OSTI2021

Fracture Sustainability in Enhanced Geothermal Systems: Experimental and Modeling Constraints

Enhanced geothermal systems (EGS) offer the potential for a much larger energy source than conventional hydrothermal systems. Hot, low-permeability rocks are prevalent at depth around the world, but the challenge of extracting thermal energy depends on the ability to create and sustain open fracture networks. Laboratory experiments were conducted using a suite of selected rock cores (granite, metasediment, rhyolite ash-flow tuff, and silicified rhyolitic tuff) at relevant pressures (uniaxial loading up to 20.7 MPa and fluid pressures up to 10.3 MPa) and temperatures (150–250 °C) to evaluate the potential impacts of circulating fluids through fractured rock by monitoring changes in fracture aperture, mineralogy, permeability, and fluid chemistry. Because a fluid in disequilibrium with the rocks (deionized water) was used for these experiments, there was net dissolution of the rock sample: this increased with increasing temperature and experiment duration. Thermal-hydrological-mechanical-chemical (THMC) modeling simulations were performed for the rhyolite ash-flow tuff experiment to test the ability to predict the observed changes. These simulations were performed in two steps: a thermal-hydrological-mechanical (THM) simulation to evaluate the effects of compression of the fracture, and a thermal-hydrological-chemical (THC) simulation to evaluate the effects of hydrothermal reactions on the fracture mineralogy, porosity, and permeability. Furthermore, these experiments and simulations point out how differences in rock mineralogy, fluid chemistry, and geomechanical properties influence how long asperity-propped fracture apertures may be sustained. Such core-scale experiments and simulations can be used to predict EGS reservoir behavior on the field scale.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

A cautionary tale: Problems in the valence-CASSCF description of the ground state (X1Σ+) of BF

In the full optimized reaction space and valence-complete active space self-consistent field (vCAS) methods, a set of active orbitals is defined as the union of the valence orbitals on the atoms, all possible configurations involving the active orbitals are generated, and the orbitals and configuration coefficients are self-consistently optimized. Such wave functions have tremendous flexibility, which makes these methods incredibly powerful but can also lead to inconsistencies in the description of the electronic structure of molecules. In this paper, the problems that can arise in vCAS calculations are illustrated by calculations on the BH and BF molecules. BH is well described by the full vCAS wave function, which accounts for molecular dissociation and 2s–2p near-degeneracy in the boron atom. The same is not true for the full vCAS wave function for BF. There is mixing of core and active orbitals at short internuclear distances and swapping of core and active orbitals at large internuclear distances. In addition, the virtual 2π orbitals, which were included in the active space to account for the 2s–2p near degeneracy effect, are used instead to describe radial correlation of the electrons in the F2pπ-like pairs. Although the above changes lead to lower vCAS energies, they lead to higher vCAS+1+2 energies as well as irregularities and/or discontinuities in the potential energy curves. All of the above problems can be addressed by using the spin-coupled generalized valence bond-inspired vCAS wave function for BF, which includes only a subset of the atomic valence orbitals in the active space.

Xu, Lu T. (ORCID:0000000182064902)↗

DOE OSTI2025

Quantifying uncertainties in α -nucleus reaction dynamics informed from first principles

The ab initio symmetry-adapted no-core shell model is a microscopic many-body method which naturally describes challenging collective and clustering features of atomic nuclei. Wave functions and observables computed with realistic nucleon-nucleon forces in this framework are tied to first principles, and are hence well-suited for rigorous uncertainty quantification. We discuss α-deuteron and α- 12 C cluster potentials informed by symmetry-adapted calculations, and propagate uncertainties in the effective binary cluster method as well as those in the nuclear interaction to reaction observables, namely scattering phase shifts, cross sections, partial widths and resonance energies. Here, we find that the overall uncertainties are dominated by those originating in the underlying nuclear force, speaking to the need for tighter constraints on realistic nucleon-nucleon interactions.

Ab initio↗

DOE OSTI2024

Effects of temperature inversion on densification in chemical vapor infiltration

In a classical chemical vapor infiltration (CVI) process, the competing effects of chemical kinetics and reagent gas transport lead to non–uniform depositions such that outer layers of a preform densify faster leaving the core highly porous. Currently, CVI must be performed at a sufficiently low temperature to achieve good densification quality which leads to high processing time and cost. Volumetric heating of the preform, especially through microwaves, can create temperature inversion such that the core is hotter than the outer surface and potentially, overcome the challenges associated with isothermal CVI. Direct numerical simulations (DNS) of densification under various such temperature distributions indicate that microwave heating in CVI processing can lead to better (uniform) densification of porous preforms. Here the role of key parameters describing the temperature distributions on the densification behavior is investigated. Strategic temporal control of the temperature distribution shows that processing times can be reduced by almost half while maintaining a good densification quality similar to that of low–temperature isothermal processing. Inside–out densification due to the inverted temperature profile is a key distinguishing characteristic of microwave assisted CVI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1975

Results of magnetospheric barium ion cloud experiment of 1971

The barium ion cloud experiment involved the release of about 2 kg of barium at an altitude of 31 482 km, a latitude of 6.926 N., and a longitude of 74.395 W. Significant erosion of plasma from the main ion core occurred during the initial phase of the ion cloud expansion. From the motion of the outermost striational filaments, the electric field components were determined to be 0.19 mV/m in the westerly direction and 0.68 mV/m in the inward direction. The differences between these components and those measured from balloons flown in the proximity of the extremity of the field line through the release point implied the existence of potential gradients along the magnetic field lines. The deceleration of the main core was greater than theoretically predicted. This was attributed to the formation of a polarization wake, resulting in an increase of the area of interaction and resistive dissipation at ionospheric levels. The actual orientation of the magnetic field line through the release point differed by about 10.5 deg from that predicted by magnetic field models that did not include the effect of ring current.

Adamson, D.↗

NASA NTRS2013

Analyzing Tropical Waves Using the Parallel Ensemble Empirical Model Decomposition Method: Preliminary Results from Hurricane Sandy

In this study, we discuss the performance of the parallel ensemble empirical mode decomposition (EMD) in the analysis of tropical waves that are associated with tropical cyclone (TC) formation. To efficiently analyze high-resolution, global, multiple-dimensional data sets, we first implement multilevel parallelism into the ensemble EMD (EEMD) and obtain a parallel speedup of 720 using 200 eight-core processors. We then apply the parallel EEMD (PEEMD) to extract the intrinsic mode functions (IMFs) from preselected data sets that represent (1) idealized tropical waves and (2) large-scale environmental flows associated with Hurricane Sandy (2012). Results indicate that the PEEMD is efficient and effective in revealing the major wave characteristics of the data, such as wavelengths and periods, by sifting out the dominant (wave) components. This approach has a potential for hurricane climate study by examining the statistical relationship between tropical waves and TC formation.

PEEMD↗

DOE OSTI2021

Recent progresses on thermal–hydraulics evaluations of accident tolerant fuel cladding materials

Thermal–hydraulics (T-H) experiments have been on the progress to evaluate boiling heat transfer characteristics of accident tolerant fuel (ATF) candidates for further supporting the core-loading of these advanced ATF concepts in light water reactors (LWRs). Here this study covers recent experimental studies of ATF claddings and summarizes some significant results. Recent T-H experimental results of ATF cladding candidates demonstrated that the material thermal–physical properties have pronounced effects on critical heat flux (CHF). Such effects have not been well resolved in the current physics-governing models. These effects of cladding materials on CHF could be potentially rationalized by the material-conjugated boiling heat transfer, where the material-dominated heat conduction competes with the flow boiling-dominated heat convection. As progressively increasing the mass flux and/or liquid subcooling, CHF differences between different materials gradually decrease, which is in agreement with the recent T-H experimental results of ATF claddings. This is because the dominance of heat convection over heat conduction is primarily improved by liquid subcooling and/or mass flow rate. It is noteworthy that surface oxidization of claddings may have unknown impacts on T-H performances because the formation of oxide layers on cladding surfaces introduces variations of material thermal–physical properties and then changes the surface morphological features, which results in some difficulties in evaluating the thermal safety margins of ATF claddings.

36 MATERIALS SCIENCE↗