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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High y + Shear-Stress Turbulence Implementation for High Flux Isotope Reactor Narrow Channel Flows

The research objective of this work was to improve the engineering predictions of the turbulence characteristics of flows in curved narrow channels. Such channel flows are commonly encountered in nuclear research and test reactors, with one of them being the high-flux isotope reactor (HFIR). Research reactors bear high heat fluxes, and the proper computing of turbulence is paramount for safe and reliable reactor operation. The study builds on the results of a previous direct numerical simulation of turbulence to inform a well-known Reynolds-averaged Navier–Stokes shear-stress turbulence model and improves its accuracy in simulating parallel channel flows. A new formulation of the loss term in the dissipation conservation equation is suggested. Combined with high wall distance computational grids, the new implementation provides a fast-running flow solution, suitable for engineering purposes. Model generalization for parallel channel flows, in a broader range of frictional Reynolds numbers, is suggested by introducing a new form of the model constants.

CFD↗
DOE OSTI2025

Numerical analysis of gas exhaust in Wendelstein 7-X using the direct simulation Monte Carlo method

The present work is focused on a 3D numerical assessment of the Wendelstein 7-X (W7-X) particle exhaust. For all the numerical simulations the direct simulation Monte Carlo solver of the DIVGAS workflow, has been employed. The complex 3D geometry of the sub-divertor region includes the pumping gap panel, supporting structures, cooling pipes as well as the cryo-vacuum pump. All the considered flow simulations correspond to the Standard magnetic configuration of W7-X. The main conclusions, which can be extracted from the present numerical analysis could be summarized as follows; The coupling between EMC3-EIRENE and DIVGAS, which considers the fact that the incoming neutral particle flux at the sub-divertor is based on realistic plasma background, has been demonstrated. Three plasma scenarios have been considered, for which is clearly seen that by increasing the heating power, the neutral pressure as well as the resulting pumping efficiency is increased. The obtained numerical results of the neutral pressure in the sub-divertor lie within a more general scan matrix, which assumes a wider range of incoming particle flux, namely 10 19 –10 24 (s −1 ). It has been observed that, the sub-divertor neutral pressure is proportional to the incoming neutral particle flux, with the effective pumping speed to be a constant of proportionality. The influence of switching off the cryo-vacuum pump on the sub-divertor pressure is rather modest and a weak increase of the neutral pressure in the sub-divertor is expected. Correlations of the sub-divertor pressure with the total incoming particle flux as well as the individual pumped flux at each of the AEH and AEP sections have been deduced. Moreover, it has been demonstrated that the influence of the incoming neutral particle flux on the albedo coefficient at the AEH and AEP pumping gaps is rather weak. All the above numerical findings will actively support the optimization of the W7-X particle exhaust, in view of future experimental campaigns.

DSMC method↗
DOE OSTI2025

Axion Mass Prediction from Adaptive Mesh Refinement Cosmological Lattice Simulations

The quantum chromodynamics (QCD) axion arises as the pseudo-Goldstone mode of a spontaneously broken Abelian Peccei-Quinn (PQ) symmetry. If the scale of PQ symmetry breaking occurs below the inflationary reheat temperature and the domain wall number is unity, then there is a unique axion mass that gives the observed dark matter (DM) abundance. Computing this mass has been the subject of intensive numerical simulations for decades since the mass prediction informs laboratory experiments. Axion strings develop below the PQ symmetry-breaking temperature, and as the string network evolves, it emits axions that go on to become the DM. A key ingredient in the axion mass prediction is the spectral index of axion radiation emitted by the axion strings. We compute this index in this Letter using the most precise and accurate large-scale simulations to date of the axion-string network leveraging adaptive mesh refinement to achieve the precision that would, otherwise, require a static lattice with 262,144 3 lattice sites. We find a scale-invariant axion radiation spectrum to within 1% precision and find no evidence that the spectral index of radiation evolves with time. Accounting for axion production from strings prior to the QCD phase transition leads us to predict that the axion mass should be approximately 𝑚 𝑎 ∈ (45, 65) μ ⁢eV. However, we provide preliminary evidence that axions are produced in greater quantities from the string-domain-wall network collapse during the QCD phase transition, potentially increasing the mass prediction to as much as 300 μ ⁢eV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Magnetic flux emergence in binary neutron star remnants

Using high-resolution AthenaK simulations of a twisted toroidal flux tube, we study the flux emergence of magnetic structures in the shear layer of a hot massive neutron star typical of a binary neutron star remnant. High-resolution simulations demonstrate that magnetic buoyant instabilities allow for emergence only for extremely large magnetic fields significantly exceeding 10 17 G, and more typical fields around 10 16 G are instead dominated by hydrodynamic effects. Because merger remnants tend to be stable against hydrodynamic convection, our work places strong limitations on the mechanisms by which massive binary neutron star remnants can produce the magnetically-driven outflows needed to power jets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Effect of the volume fraction gradient on the phase interaction force model for disperse two-phase flows

In this work, the effects of the particle volume fraction gradient on fluid-particle interactions are studied. The phase interaction force is decomposed into three terms. For the first term, namely the symmetrized force density, we present theoretical reasoning and numerical evidence to assume that it is independent of the particle volume fraction gradient. The second term is the particle volume fraction gradient times a newly introduced diffusion stress. The third term is the divergence of the particle-fluid-particle (PFP) stress. If this assumption of independence of the particle volume fraction gradient for the first term can be verified, to the first order of the ratio of the mean distance between particles to the macroscopic lengthscale, all three terms can be studied and modeled in flows with uniform particle distributions. Models thus obtained are applicable to statistically inhomogeneous flows, with the second and third terms accounting for statistical inhomogeneity. To verify this assumption, numerical simulations of flows passing fixed arrays of particles are performed. Both uniform and nonuniform particle volume fractions are studied and compared for disperse multiphase flows with the particle Reynolds numbers ranging from 1 to 100, and particle volume fraction ranging from 1% to 26% in statistically steady states. It is found that the symmetrized force (first) term can be well approximated by the drag force obtained from studies of uniform flows. The diffusion stress is positive along the flow direction and negative in the directions perpendicular to the flow. In the case of moving particles, this stress could potentially cause particle aggregation in the flow direction and dispersion in the directions perpendicular to the flow. Finally, the diffusion stress is only important when there is a volume fraction gradient, while the PFP stress can be important in inhomogeneous flows with either nonuniform particle concentrations or nonuniform average relative velocities between the phases.

42 ENGINEERING↗
DOE OSTI2025

High-Fidelity CFD Simulation of Mixed Convection and Forced Convection in a Pebble Bed Test Reactor Core

The Hermes low-power [35-MW(thermal)] reactor will be built and operated by Kairos Power LLC (KP) to demonstrate its fluoride salt-cooled high-temperature reactor (FHR) technology. In the KP FHR, the reactor core is composed of randomly packed pebbles with TRISO fuel particles inside with FLiBe flow upward through the core acting as a coolant. Previous numerical and experimental studies have been limited to either a small-size bed or to a lack of detailed measurements for heat transfer. Here, to address the lack of high-fidelity heat transfer data in a real-size FHR core, in this study, we simulated a pebble bed core with 34 374 pebbles randomly packed, similar to the Hermes reactor's size. The core radius was 14 times that of the pebble diameter, while the core height was 45 times. In this work, we were particularly interested in a mixed convection regime, where buoyancy is important. Therefore, we performed several large-eddy simulations at different Reynolds numbers (160 to 1000) with gravitational force included. The spectral element computational fluid dynamics code NekRS with graphics processing unit acceleration was used for this study. The low-Mach number approximation was applied to address property changes in the FLiBe and to account for buoyancy. A pure hexahedral mesh with 60 million elements was generated by the Voronoi cell method. At the polynomial order of 5, the total degrees of freedom was 7.5 billion. The developed case in this work is the first of its kind in terms of size and complexity. The local numerical data across the domain were obtained and compared with empirical correlations. After examining the data, we found the following conclusions. For pressure drop, the Reger correlation predicted less than a 5% error. On the other hand, for heat transfer, the Wakao correlation outperformed the others. Based on our findings, we recommend the use of the Wakao correlation for the Nusselt number calculation, and for pressure drop, the KTA (Kerntechnischer Ausschuss) correclation, among the available experimental correlations. In conclusion, the Reger direct numerical simulation-driven correlation for pressure drops should also be considered, given its best agreement with our calculations.

Mixed Convection↗
DOE OSTI2025

Parameter extraction for a SPICE model of an hTron superconducting thermal switch

Efficiently simulating large circuits is crucial to the development of superconducting nanowire-based electronics. However, current simulation tools for this technology are not adapted to the scaling of circuit size and complexity. We focus on the multilayered heater-nanocryotron (hTron), a promising superconducting nanowire-based switch used in applications such as superconducting nanowire single-photon detector readout. Previously, the hTron was modeled using traditional finite-element methods, which fall short in simulating systems at a larger scale. An empirical-based method would be better adapted to this task, enhancing both simulation speed and agreement with experimental data. In this work, we perform switching current and activation delay measurements on 17 hTron devices. We then develop a method for extracting physical fitting parameters used to characterize the devices. We build a SPICE behavioral model that reproduces the static and transient device behavior using these parameters, and validate it by comparing its performance to a model developed in prior work, showing an improvement in simulation time by several orders of magnitude. Furthermore, our model provides circuit designers with a tool to help understand the hTron’s behavior during all design stages, thus enabling broader use of the hTron across various new areas of application.

Caloritronics↗
DOE OSTI2025

Collaborative Proposal: Improving understanding of the internal structure and dynamics of deep convection using ARM observations and large eddy simulations

Recent observational and large eddy simulation (LES) modeling studies have nearly unanimously supported the view of deep cumulus convection being composed of a series of quasi-spherical bubbles of buoyant air, known as moist thermals. Despite the prevalence of moist thermals in deep convection, a comprehensive theory for the dynamics of these structures is lacking. Most current conceptual models for cumulus convection are based on canonical scaling theories for dry thermals or plumes; however, there is considerable evidence that the behavior of moist thermals differs markedly from these theories. Furthermore, the theoretical basis for most cumulus parameterizations originates from the plume conceptual model, and therefore these parameterizations are inconsistent with the real structure of moist convection. Motivated by the aforementioned knowledge gaps, this “end-to-end” research effort use theory, observations, numerical simulations, and direct improvements to the Zhang-McFarlane (ZM) convection scheme in the global climate Community Atmosphere Model (CAM) to address the following research questions: What key environmental parameters determine whether or not shallow convection will transition into deep convection, in the context of thermal-like updrafts? What factors regulate the size of thermals within cumulus updrafts? How does vertical wind shear influence thermal behavior, and as a consequence, vertical velocity and mass flux profiles and the shallow-to-deep convective transition? What are the critical processes that determine updraft vertical velocities and their connection to the vertical mass flux profile for thermal-like updrafts? Idealized LES modeling will be used in conjunction with theoretical models for the core properties of thermal-like updrafts to better understand key processes that regulate thermal ascent rates and entrainment properties. Thermal-tracking procedures will be used to characterize the behavior of thermals within the LES, and recently developed direct measures of entrainment and detrainment will be used to quantify entrainment/detrainment rates. Building from these results, we will analyze the structure of moist thermals from hemispheric range-height indicator scans taken during the Atmospheric Radiation Measurement Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign, and from “real case” LES of CACTI events. This combined modeling and observational analysis will provide essential validation for the existing body of research on moist thermal dynamics, which is based primarily on modeling studies. With the insight gained from the aforementioned activities, we will modify the Zhang-McFarlane convection scheme to improve its representation of updraft vertical velocity and entrainment rate profiles. These process-level changes will be tested in the Community Atmosphere Model to assess the impact on global climate simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Pore-Scale Study on the Positive Feedback Between Stress and Porosity Caused by Pressure Solution in Porous Media

Pressure solution is an important process in the evolution of sedimentary rocks, which provide storage space for most of our petroleum resources. It directly influences the generation, migration, and storage of petroleum fluids in subsurface sedimentary rocks. Here, in this paper, we develop a pore-scale, mechanochemical model to demonstrate a possible positive feedback between the local porosity and pore surface stress, in which a higher local porosity causes a higher local pore surface stress, thus enhancing pressure solution and consequently further increasing the local porosity. Pore surface stress represents stress on a solid grain adjacent to a pore. Specifically, the pore-scale, mechanochemical model directly simulates the stress distribution over solid and pore surfaces using a finite element model. The dissolution of solids at the solid-pore interfaces under a far-from-equilibrium condition is simulated using a first-order kinetics model that accounts for the local stress distribution. The updated pore geometry, caused by pore surface dissolution, is then used in the stress simulation in the next numerical iteration. Two types of porous media, the Oriskany sandstone and an artificial porous medium with spherical pores, were tested in the mechanochemical simulation. The positive stress-porosity feedback during pressure solution was observed in both samples. In addition, the model quantitatively illustrated the distribution of local mineral dissolution rates on all pore surfaces, as well as its relation to the effective mineral dissolution rate of the entire sample. Based on the comparison between the two porous media, the local mineral dissolution was regulated by pore space distribution, geometry, and coalescence during pressure solution. This work is the first that uses direct, pore-scale numerical simulation to demonstrate the positive stress-porosity feedback during pressure solution, which has the potential to advance the understanding of the mechanical-chemical (MC) coupling in many geological processes that are relevant to subsurface energy systems, such as the recovery of petroleum hydrocarbons and geothermal energy.

CT scanning↗
DOE OSTI2024

Phase-field modeling of crack growth under coupled creep-fatigue

Crack growth under coupled creep-fatigue strongly influences service life of metallic components operating at high temperatures. However, there lack numerical models that enable direct simulations of crack growth and plasticity development under coupled creep-fatigue. Here, in this study, a unified phase-field model is developed for simulating crack growth under fatigue, creep, and coupled creep-fatigue. This model is able to reproduce the Paris laws for both brittle and ductile materials in pure fatigue mode, which shows that the degradation rate due to cyclic stress in ductile materials is generally larger than that in brittle materials. Fatigue simulations with different yield strengths demonstrate that plasticity facilitates crack growth in typical ductile materials. High-throughput simulations are performed under coupled creep-fatigue conditions, with varying hold-stress levels and hold-time. By analyzing crack growth rate under different hold-time, a creep-fatigue interaction term is obtained. Simulation results demonstrate that the creep-fatigue interaction is caused by smaller stress gradient and enhanced degradation rate ahead of the crack tips under coupled creep-fatigue, compared to the situation of pure fatigue. This work reveals the origin of different Paris-law exponents in brittle and ductile materials and demonstrates how the interplay between creep and fatigue affects crack growth.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A unified neural-network framework for nucleon imaging from numerical simulations of QCD

Parton distributions encode the momentum-space structure and, in their generalizations, the spatial tomography of quarks and gluons inside hadrons, the building blocks of visible matter. We present a unified neural-network approach that learns these distributions directly from matrix elements calculated via numerical simulations of quantum chromodynamics (QCD) on the lattice by fitting two complementary inputs simultaneously: data matched to physical quantities via known momentum-space and coordinate-space formalisms. Utilizing data from both methods stabilizes the extraction and mitigates biases that can arise when either is used alone. We validate the method on controlled mock data and apply it to lattice-QCD matrix elements to extract parton distribution functions (PDFs). We show benefits of such an approach for determining the physical quantities. We further extend the framework to zero-skewness generalized parton distributions and demonstrate nucleon tomography within the same neural-network parameterization. Our results provide an adaptable and systematically improvable approach for extracting partonic distributions from Euclidean correlators. It can incorporate polarization, additional channels, and future experimental constraints from current and future facilities, such as the Electron-Ion Collider.

Hadronic Spectroscopy↗
DOE OSTI2025

Broadband unidirectional visible imaging using wafer-scale nano-fabrication of multi-layer diffractive optical processors

We present a broadband and polarization-insensitive unidirectional imager that operates at the visible part of the spectrum, where image formation occurs in one direction, while in the opposite direction, it is blocked. This approach is enabled by deep learning-driven diffractive optical design with wafer-scale nano-fabrication using high-purity fused silica to ensure optical transparency and thermal stability. Our design achieves unidirectional imaging across three visible wavelengths (covering red, green, and blue parts of the spectrum), and we experimentally validated this broadband unidirectional imager by creating high-fidelity images in the forward direction and generating weak, distorted output patterns in the backward direction, in alignment with our numerical simulations. This work demonstrates wafer-scale production of diffractive optical processors, featuring 16 levels of nanoscale phase features distributed across two axially aligned diffractive layers for visible unidirectional imaging. This approach facilitates mass-scale production of ~0.5 billion nanoscale phase features per wafer, supporting high-throughput manufacturing of hundreds to thousands of multi-layer diffractive processors suitable for large apertures and parallel processing of multiple tasks. Beyond broadband unidirectional imaging in the visible spectrum, this study establishes a pathway for artificial-intelligence-enabled diffractive optics with versatile applications, signaling a new era in optical device functionality with industrial-level, massively scalable fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rarefied xenon flow in orificed hollow cathodes

A parametric study is conducted to quantify the effect of the keeper electrode geometry on the xenon neutral flow quantities within orificed hollow cathodes, prior to ignition. The keeper impinges directly on the flow out of the cathode orifice and its geometry influences the product between the pressure in the orifice–keeper region and the cathode-to-keeper distance. A representative cathode is simulated using the Direct Simulation Monte Carlo method. The numerical model is first validated with computational results from the literature. A parametric study is then conducted. Parameters include the cathode pressure–diameter in the range of 1–5 Torr cm and the following geometric ratios (and ranges): cathode orifice-to-inner radii (0.1–0.7), keeper orifice-to-cathode orifice radii (1–5), and keeper distance-to-cathode-orifice diameter (0.5–10). It is found that, if both keeper and cathode have identical orifice radii, the flow remains subsonic in the orifice-to-keeper region. In most cases, however, the flow becomes underexpanded and supersonic, and the static pressure within the orifice-to-keeper region is, on average, 4% that of the upstream pressure value. The orifice–keeper region pressure increases with either a decrease in the keeper orifice diameter or an increase in the distance between cathode and keeper, in agreement with literature data. Both trends are explained through conservation laws. A statistical study of numerical results reveals that the ratio of ignition-to-nominal mass flow rates has a most probable value of 50, which suggests that heaterless cathode ignition at a minimum DC voltage may be achieved by increasing the input mass flow rate by a factor of 50.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Impact of control signal phase noise on qubit fidelity

As qubit decoherence times are increased and readout technologies are improved, nonidealities in the drive signals, such as phase noise, are going to represent a growing limitation to the fidelity achievable at the end of complex control pulse sequencies. Here we study the impact on fidelity of phase noise affecting reference oscillators with the help of numerical simulations, which allow us to directly take into account the interaction between the phase fluctuations in the control signals and the evolution of the qubit state. Our method is based on the generation of phase noise realizations consistent with a given power spectral density, that are then applied to the pulse carrier in simulations, with Qiskit-Dynamics, of the qubit temporal evolution. By comparing the final state obtained at the end of a noisy pulse sequence with that in the ideal case and averaging over multiple noise realizations, we estimate the resulting degradation in fidelity, and exploiting an approximate analytical representation of a carrier affected by phase fluctuations, we discuss the contributions of the different spectral components of phase noise.

Barsotti, Agata [Pisa U.]↗
DOE OSTI2026

Relaxing Direct Ptychography Sampling Requirements via Parallax Imaging Insights

Direct ptychography enables the retrieval of information encoded in the phase of an electron wave passing through a thin sample by deconvolving the interference effects of a converged probe with known aberrations. Under the weak phase object approximation, this permits the optimal transfer of information using noniterative techniques. However, the achievable resolution of the technique is traditionally limited by the probe step size—setting stringent Nyquist sampling requirements. At the same time, parallax imaging has emerged as a dose-efficient phase technique which relaxes sampling requirements and enables scan-upsampling. Here, we formulate parallax imaging as a quadratic approximation to part of the direct ptychography kernel and use this insight to enable upsampling in direct ptychography. We validate our analytical results numerically using simulated and experimental reconstructions.

direct ptychography, parallax imaging, scan Nyquis↗
DOE OSTI2026

Error quantification and comparison of binary neutron star gravitational waveforms from numerical relativity codes

Future gravitational wave detections of merging binary neutron star systems have the possibility to tightly constrain the equation of state of dense nuclear matter. In order to extract such constraints, gravitational waveform models need to be calibrated to accurate numerical relativity simulations of the late inspiral and merger. In this work, we take an essential step toward classifying the error and potential systematics in current generation numerical relativity simulations of merging binary neutron stars. To this end, we perform a direct comparison of two codes (fil, spec), which differ in many aspects, including the numerical methods and discretizations used and equations solved. We find that despite these different approaches, the codes are—within current numerical resolution bounds—fully consistent, and broadly comparable in cost for a given accuracy level. Our results indicate that the error in the waveforms is primarily dominated by the hydrodynamic evolution, consistent with earlier findings in the literature. Finally, we also discuss current limitations and cost estimates for numerical relativity simulations to reach the accuracies required in the era of next-generation gravitational detectors.

gravitational waves↗
DOE OSTI2024

Theories of homogeneous and electrochemical electron transfer in complex media and interfaces (Final Technical Report)

This project makes the next step in establishing practical theories of charge transfer in complex media. The development of formal models is supported by extensive atomistic simulations, quantum calculations of force-field parameters, and direct measurements of charge-transfer spectra. All theory development is supported by experiment, extensive numerical simulations, and through external collaborations.

14 SOLAR ENERGY↗