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NASA NTRS2025

Direct Numerical Simulation of Flow Past a Gaussian Bump at a High Reynolds Number

We present the results from a direct numerical simulation of a spanwise-periodic turbulent flow past a Gaussian bump. The problem setup is designed to investigate the interaction of an incoming turbulent boundary layer with the strong favorable and adverse pressure gradients generated by the Gaussian bump as the flow passes over it at a Reynolds number of 340000 based on the bump height, or 4 million based on the bump length. The statistical results from the present simulation are compared against our earlier results at a Reynolds number of 2 million. An internal layer, which forms beneath the strongly accelerated boundary layer over the windward side of the bump, is found to generate its near-wall turbulence stress peaks in closer proximity of the wall in the higher Reynolds-number case. Furthermore, the logarithmic layer of the higher Reynolds-number boundary layer appears more resistant to changes induced by strong acceleration and surface curvature effects over the same region. Despite a nearly identical flow separation point in the two flows, the detached shear layer grows at a faster rate and subsequently reattaches at an earlier point in the higher Reynolds-number flow. The surface pressure and skin-friction distributions over the attached flow region compare well against the corresponding experimental data for both flows. However, some differences appear in the separated flow region, which are attributed to the three-dimensionality of the experimental model setup that is not included in the simulation owing to the spanwise periodic assumption. Comparisons with the stereoscopic particle image velocimetry measurements on the central plane of the experimental model over the windward side of the bump show reasonable overall agreement in the mean velocity components, but the turbulence stress components do not agree well at some streamwise locations. Comparisons over the leeward side of the bump show that the mean separated shear layer in the simulation is tilted significantly more toward the wall than the experimental shear layer on the central plane. This mismatch in the mean shear layer orientation is due to the experimental model three-dimensionality and tunnel end-wall effects, which are not modeled in the present spanwise-periodic simulation.

Favorable and Adverse Pressure Gradients↗

NASA NTRS1995

Magnetohydrodynamic simulations of outflows from accretion disks

Magnetohydrodynamic simulations have been made of the formation of outflows from a Keplerian disk threaded by a magnetic field. The disk is treated as a boundary condition, where matter is ejected with Keplerian azimuthal speed and poloidal speed less than the slow magnetosonic velocity, and where boundary conditions on the magnetic field correspond to a highly conducting disk. Initially, the space above the disk, the corona, is filled with high specific entropy plasma in thermal equilibrium in the gravitational potential of the central object. The initial magnetic field is poloidal and is represented by a superposition of monopoles located below the plane of the disk. The rotation of the disk twists the initial poloidal magnetic field, and this twist propagates into the corona pushing and collimating matter into jetlike outflow in a cylindrical region. Matter outflowing from the disk flows and accelerates in the z-direction owing to both the magnetic and pressure gradient forces. The flow accelerates through the slow magnetosonic and Alfven surfaces and at larger distances through the fast magnetosonic surface. The flow velocity of the jet is approximately parallel to the z-axis, and the collimation results from the pinching force of the toroidal magnetic field. For a nonrotating disk no collimation is observed.

Ustyugova, G. V.↗

DOE OSTI2024

Excellent performance of 650 MHz single-cell niobium cavity after electropolishing

Electropolishing process and cathodes have undergone modification and optimization for both low- and high-beta 650 MHz five-cell niobium cavities for PIP-II. Cavities treated with these modified electropolishing conditions exhibited smooth surfaces and good performance in baseline tests. Nonetheless, due to administrative constraints on project cavities, maximum gradient performance testing was not conducted. This paper presents a study conducted on a single-cell 650 MHz cavity utilizing the optimized electropolishing conditions, highlighting the maximum performance attained for this specific cavity. The cavity tested at 2 K in a vertical cryostat reached a superior accelerating field gradient of 53.3 MV/m at Q0 of 1.6x1010, which is the highest gradient attained for this type of large-sized cavities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Progress and Challenges in Traveling-Wave SRF cavity development at Fermilab

Traveling-wave (TW) technology can push the accelerator field gradient of niobium SRF cavity to 70MV/m or higher beyond the limit of 50~60MV/m in Standing-wave (SW) technology. The early stages of TW SRF cavity developments had been funded by several SBIR grants to Euclid Techlabs and completed in collaboration with Fermilab through a 1-cell prototype and a proof-of-principle 3-cell TW cavity. The TW resonance excitation in the 3-cell TW cavity at 2K was demonstrated through the low power RF test in early 2024. A high-power test of the 3-cell in TW mode being prepared. To advance a design and technology to fabricate a novel high gradient TW SRF cavity, FNAL proposed a half-meter TW RF design and R&Ds to realize that are in progress. Here we will report the recent progress in the 3-cell TW cavity and the challenges towards a half-meter scale TW cavity.

Furuta, F.↗

DOE OSTI2024

Progress and Challenges in Traveling-Wave SRF cavity development at Fermilab

Furuta, F.↗

DOE OSTI2025

Application of Machine Learning and Data Augmentation Algorithms in the Discovery of Metal Hydrides for Hydrogen Storage

The development of efficient and sustainable hydrogen storage materials is a key challenge for realizing hydrogen as a clean and flexible energy carrier. Among various options, metal hydrides offer high volumetric storage density and operational safety, yet their application is limited by thermodynamic, kinetic, and compositional constraints. In this work, we investigate the potential of machine learning (ML) to predict key thermodynamic properties—equilibrium plateau pressure, enthalpy, and entropy of hydride formation—based solely on alloy composition using Magpie-generated descriptors. We significantly expand an existing experimental dataset from ~400 to 806 entries and assess the impact of dataset size and data augmentation, using the PADRE algorithm, on model performance. Models including Support Vector Machines and Gradient Boosted Random Forests were trained and optimized via grid search and cross-validation. Results show a marked improvement in predictive accuracy with increased dataset size, while data augmentation benefits are limited to smaller datasets and do not improve accuracy in underrepresented pressure regimes. Furthermore, clustering and cross-validation analyses highlight the limited generalizability of models across different material classes, though high accuracy is achieved when training and testing within a single hydride family (e.g., AB2). The study demonstrates the viability and limitations of ML for accelerating hydride discovery, emphasizing the importance of dataset diversity and representation for robust property prediction.

augmentation↗

NASA NTRS2020

3D Propagation of Relativistic Solar Protons through Interplanetary Space

Context. Solar Energetic Particles (SEPs) with energy in the GeV range can propagate to Earth from their acceleration region near the Sun and produce Ground Level Enhancements (GLEs). The traditional approach to interpreting and modelling GLE observations assumes particle propagation only parallel to the magnetic field lines of interplanetary space, i.e. it is spatially 1D. Recent measurements by PAMELA have characterised SEP properties at 1 AU for the ~100 MeV-1 GeV range at high spectral resolution. Aims. We model the transport of GLE-energy solar protons using a 3D approach, to assess the effect of the Heliospheric Current Sheet (HCS) and drifts associated to the gradient and curvature of the Parker spiral. We derive 1 AU observables and compare the simulation results with data from PAMELA. Methods. We use a 3D test particle model including a HCS. Monoenergetic populations are studied first to obtain a qualitative picture of propagation patterns and numbers of crossings of the 1 AU sphere. Simulations for power law injection are used to derive intensity profiles and fluence spectra at 1 AU. A simulation for a specific event, GLE 71, is used to compare with PAMELA data. Results. Spatial patterns of 1 AU crossings and the average number of crossings are strongly influenced by 3D effects, with significant differences between periods of A+ and A- polarities. The decay time constant of 1 AU intensity profiles varies depending on the position of the observer and is not a simple function of the mean free path as in 1D models. Energy dependent leakage from the injection flux tube is particularly important for GLE energy particles, resulting in a rollover in the spectrum.

Solar energetic particles↗

DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴ speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously previously impossible with conventional tools while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗

NASA NTRS2020

3D propagation of relativistic solar protons through interplanetary space

Context.Solar energetic particles (SEPs) with energy in the GeV range can propagate to Earth from their acceleration region near the Sun and produce ground level enhancements (GLEs). The traditional approach to interpreting and modelling GLE observations assumes particle propagation which is only parallel to the magnetic field lines of interplanetary space, that is, spatially 1D propagation. Recent measurements by PAMELA have characterised SEP properties at 1 AU for the∼100 MeV–1 GeV range at high spectral resolution. Aims. We model the transport of GLE-energy solar protons using a 3D approach to assess the effect of the heliospheric current sheet(HCS) and drifts associated to the gradient and curvature of the Parker spiral. We derive 1 AU observables and compare the simulation results with data from PAMELA. Methods. We use a 3D test particle model including a HCS. Monoenergetic populations are studied first to obtain a qualitative picture of propagation patterns and numbers of crossings of the 1 AU sphere. Simulations for power law injection are used to derive intensity profiles and fluence spectra at 1 AU. A simulation for a specific event, GLE 71, is used for comparison purposes with PAMELA data. Results. Spatial patterns of 1 AU crossings and the average number of crossings per particle are strongly influenced by 3D effects, with significant differences between periods of A+ and A−polarities. The decay time constant of 1 AU intensity profiles varies depending on the position of the observer and it is not a simple function of the mean free path as in 1D models. Energy dependent leakage from the injection flux tube is particularly important for GLE energy particles, resulting in a rollover in the spectrum.

S. Dalla↗

DOE OSTI2025

Digital Twin Framework for PIP-II Linac: AI-Driven Multi-Scale Modeling from Ion Source to 800 MeV

The PIP-II linac will enable >1.2 MW beam power for DUNE, requiring unprecedented operational reliability across its warm front-end (RFQ, MEBT) and five distinct SRF sections operating at 162.5/325/650 MHz. We present a comprehensive digital twin framework uniquely combining a fully differentiable fast beam transport code with neural network surrogates trained on high-fidelity PIC simulations, capturing space charge and nonlinear dynamics beyond traditional envelope codes while achieving 10⁴× speedup at <1% accuracy. End-to-end differentiability enables gradient-based optimization across 500+ parameters simultaneously—previously impossible with conventional tools—while the model incorporates static/dynamic errors and serves as a virtual commissioning platform for diverse hardware integration. The framework facilitates reinforcement learning for pulsed/CW mode transitions, predictive maintenance through anomaly detection, and autonomous tuning algorithm development with real-time execution capability. Validation against physics simulations shows excellent agreement for the front-end, with initial results demonstrating potential for 30% commissioning time reduction and proactive fault mitigation, providing a scalable blueprint for operating next-generation high-intensity accelerators.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208↗

NASA NTRS1972

Trapping boundary and field-line motion during geomagnetic storms.

Observation that the high-latitude trapping boundary for 20-keV electrons and 100-keV protons became very thin in the early morning hours during two intense substorms. The gradients were too steep to be maintained by drifting particles, so they must have been produced locally over the nightside of the earth. The flux gradient is seen to move at speeds in excess of 100 km/sec. Plasma appears to move away from the tail and around the earth at these high speeds during the sudden expansion phases of the substorms. The rapid plasma motion requires the presence of fluctuating electric fields that sometimes exceed 50 to 100 mV/m at a geomagnetic latitude of 30 deg on the L = 5 field line. These observations fit best into a model that contains two field-aligned sheet currents. The high electric fields that accompany the rapid plasma flow can produce nonadiabatic acceleration of 0.1- to 1-MeV electrons and protons.

Kaufmann, R. L.↗

DOE OSTI2025

Rapid data acquisition and machine learning-assisted composition design of functionally graded alloys via wire arc additive manufacturing

Abstract The lack of high-quality datasets in materials science hinders artificial intelligence (AI)-driven alloy design. To address this challenge, wire arc additive manufacturing (WAAM) was employed to fabricate graded alloys, generating extensive data for machine learning (ML)-assisted property prediction. ML models were developed using high-throughput experiments, computational models, and genetic algorithm to optimize feature selection, successfully predicting hardness and porosity. The ML model demonstrated its efficacy by designing a gradient alloy with enhanced properties. However, scaling up revealed uncertainties in tensile property and porosity due to differences in size and thermal conditions between the designed alloy build and the gradient print used to construct the ML model. This underscores the need for uncertainty quantification and process optimization in WAAM-driven alloy design. Our work advances AI-integrated additive manufacturing, offering a rapid approach to exploring process–structure–property relationships and accelerating materials development.

Wang, Xin↗

NASA NTRS1988

X-ray performance of the LAMAR protoflight mirror

A grazing incidence X-ray mirror in the Kirkpatrick-Baez geometry was constructed and tested. Its geometric aperture measures 20 by 30 cm and its length is 100 cm. The focal length is 3.4 m measured from the front to the focal plane. It is the first of eight mirrors to be built for the LAMAR experiment of the Shuttle High Energy Astrophysics Laboratory. Its angular resolution was measured at 1.5 and 6.4 keV in a quasi-parallel X-ray beam at the Marshall Space Flight Center. The half-power width (HPW) of the resolution function projectd along a horizontal axis is 31-sec of arc at both energies and in visible light. With the addition of small isolation pads the mirror is able to withstand the vibration and acceleration levels of a Space Shuttle launch. The resolution remains under 35-sec of arc HPW for changes in temperature of 9.5 C and when a modest temperature gradient is imposed on the mirror.

Fabricant, Daniel G.↗

NASA NTRS2005

GPS World, Innovation: Autonomous Navigation at High Earth Orbits

Calculating a spacecraft's precise location at high orbital altitudes-22,000 miles (35,800 km) and beyond-is an important and challenging problem. New and exciting opportunities become possible if satellites are able to autonomously determine their own orbits. First, the repetitive task of periodically collecting range measurements from terrestrial antennas to high altitude spacecraft becomes less important-this lessens competition for control facilities and saves money by reducing operational costs. Also, autonomous navigation at high orbital altitudes introduces the possibility of autonomous station keeping. For example, if a geostationary satellite begins to drift outside of its designated slot it can make orbit adjustments without requiring commands from the ground. Finally, precise onboard orbit determination opens the door to satellites flying in formation-an emerging concept for many scientific space applications. The realization of these benefits is not a trivial task. While the navigation signals broadcast by GPS satellites are well suited for orbit and attitude determination at lower altitudes, acquiring and using these signals at geostationary (GEO) and highly elliptical orbits is much more difficult. The light blue trace describes the GPS orbit at approximately 12,550 miles (20,200 km) altitude. GPS satellites were designed to provide navigation signals to terrestrial users-consequently the antenna array points directly toward the earth. GEO and HE0 orbits, however, are well above the operational GPS constellation, making signal reception at these altitudes more challenging. The nominal beamwidth of a Block II/IIA GPS satellite antenna array is approximately 42.6 degrees. At GEO and HE0 altitudes, most of these primary beam transmissions are blocked by the Earth, leaving only a narrow region of nominal signal visibility near opposing limbs of the earth. This region is highlighted in gray. If GPS receivers at GEO and HE0 orbits were designed to use these higher power signals only, precise orbit determination would not be practical. Fortunately, the GPS satellite antenna array also produces side lobe signals at much lower power levels. NASA has designed and tested the Navigator, a new GPS receiver that can acquire and track these weaker signals, thereby dramatically increasing the signal visibility at these altitudes. While using much weaker signals is a fundamental requirement for a high orbital altitude GPS receiver, it is certainly not the only challenge. There are other unique characteristics of this application that must also be considered. For example, Position Dilution of Precision (PDOP) figures are much higher at GEO and HE0 altitudes because visible GPS satellites are concentrated in a much smaller area with respect to the spacecraft antenna. These poor PDOP values contribute considerable error to the point solutions calculated by the spacecraft GPS receiver. Finally, spacecraft GPS receivers must be designed to withstand a variety of extreme environmental conditions. Variations in acceleration between launch and booster separation are extreme. Temperature gradients in the space environment are also severe. Furthermore, radiation effects are a major concern-spacecraft-borne GPS receivers must be designed with radiation-hardened electronics to guard against this phenomenon, otherwise they simply will not work. Perhaps most importantly, there are no opportunities to repair or modify any space-borne GPS receiver after it has been launched. Great care must be taken to ensure all performance characteristics have been analyzed prior to liftoff.

Bamford, William↗

DOE OSTI2024

MULTI-LEADER: MULTI-source LEarning-Accelerated Design of high-Efficiency multi-stage compRessor (Final Technical Report)

The objective of MULTI-LEADER is to cut design costs by 80% while generating more energy-efficient designs of multi-stage compressors by developing and implementing novel machine learning (ML) techniques, which enable faster and fewer design iterations, improved solver performance, and concurrent multi-disciplinary design. Current industrial practices for the design of multi-stage compressors involve simulation-based design optimization with successive levels of model fidelity, iteratively evaluated between distinct disciplines, one stage at a time to tackle the high dimensional design variations. This project addresses these key design challenges: (1) concurrent optimization of multiple stages under many non-linear constraints; (2) multitude of evaluation of high-fidelity and expensive solvers and their gradients during optimization convergence in high-dimensional design; (3) multi-disciplinary design to maximize aerodynamic performance while guaranteeing structural integrity and additive manufacturability; (4) utilization of multiple fidelity of solvers with disparate parameterization and modeling assumptions. MULTI-LEADER achieved more than 5x speed up in detailed design of more energy-efficient compressors via these machine learning (ML) innovations: (i) rapid design surrogates by multi-source learning from diverse fidelities across multiple disciplines, (ii) physics-constrained data-augmented modeling for improved empiricism, (iii) generative manifold embedding for high dimensional concurrent design without gradient information; (iv) budget-constrained fidelity-adaptive sampling towards fewer design iterations.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1984

Basic principles of coaxial launch technology

Already in the 1930s, a discrete-coil mechanically synchronized launcher was built. At the present time, research is almost entirely directed towards railguns. However, although coaxial accelerators are more complex than railguns, they have certain unique advantages. Some of these advantages are related to the absence of physical contact requirements with the projectile, the possibility of a scale-up to very large projectile size, and the availability of up to 100 times more thrust for a given current. The price of the advantages is the need for a drive current in the form of pulses synchronized precisely with transit of each projectile coil through each drive coil. At high velocities, high voltages are required, and high voltage switching represents the technology limit on launch velocity. Attention is given to inductance gradients, the double hump, methods of excitation, methods of synchronization, projectile configuration, energy supply, fundamental limits, trends, and research needs.

Kolm, H.↗

NASA NTRS2016

Relativistic Electrons Produced by Foreshock Disturbances Observed Upstream of Earth's Bow Shock

Charged particles can be reflected and accelerated by strong (i.e., high Mach number) astrophysical collisionless shock waves, streaming away to form a foreshock region in communication with the shock. Foreshocks are primarily populated by suprathermal ions that can generate foreshock disturbances-largescale (i.e., tens to thousands of thermal ion Larmor radii), transient (approximately 5-10 per day) structures. They have recently been found to accelerate ions to energies of several keV. Although electrons in Saturn's high Mach number (M > 40) bow shock can be accelerated to relativistic energies (nearly 1000 keV), it has hitherto been thought impossible to accelerate electrons beyond a few tens of keV at Earth's low Mach number (1 ≤M <20) bow shock. Here we report observations of electrons energized by foreshock disturbances to energies up to at least approximately 300 keV. Although such energetic electrons have been previously observed, their presence has been attributed to escaping magnetospheric particles or solar events. These relativistic electrons are not associated with any solar or magnetospheric activity. Further, due to their relatively small Larmor radii (compared to magnetic gradient scale lengths) and large thermal speeds (compared to shock speeds), no known shock acceleration mechanism can energize thermal electrons up to relativistic energies. The discovery of relativistic electrons associated with foreshock structures commonly generated in astrophysical shocks could provide a new paradigm for electron injections and acceleration in collisionless plasmas.

SLAMS↗

DOE OSTI2024

Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation Cathodes

Multivalent-ion batteries offer an alternative to Li-based technologies, with the potential for greater sustainability, improved safety, and higher energy density, primarily due to their rechargeable system featuring a passivating metal anode. Although a system based on the Ca 2+ /Ca couple is particularly attractive given the low electrochemical plating potential of Ca 2+ , the remaining challenge for a viable rechargeable Ca battery is to identify Ca cathodes with fast ion transport. In this work, a high-throughput computational pipeline is adapted to (1) discover novel Ca cathodes in a largely unexplored space of empty intercalation hosts and (2) develop material design rules for Ca-ion mobility. One candidate from the screening, W 2 O 3 (PO 4 ) 2 , is confirmed to have a low Nudged Elastic Band (NEB) barrier of 168 meV within a one-dimensional (1D) ion percolation topology. This candidate is subsequently synthesized and electrochemically tested, achieving reversible Ca cycling with a capacity of 25 mA h/g. To further accelerate the screening for promising Ca intercalation electrodes, machine learning (ML) Random Forest (RF) and Extreme Gradient Boosting (XGB) classification models are created with local environment descriptors based on a large, structurally and chemically diverse dataset of minimum energy pathways, spanning over 5,000 density functional theory (DFT) site energy calculations. Accuracies of 92% are achieved, material design metrics are quantified, ML force-fields are leveraged in an accelerated iteration of the screening, and a total of 27 novel Ca cathode materials are highlighted for further investigation.

25 ENERGY STORAGE↗