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DOE OSTI2025

Single rhenium atoms on nanomagnetite: Probing the recharge process that controls the fate of rhenium in the environment

Understanding the redox transitions that control rhenium geochemistry is central to paleoredox and geochronology studies, as well as predicting the fate of chemically similar hazardous oxyanions in the environment such as pertechnetate. However, detailed mechanistic information regarding rhenium redox transitions in anoxic systems is scarce. Here, we performed a comprehensive laboratory study of rhenium redox transitions on variably oxidized magnetite nanoparticle surfaces. Through high-end spectroscopic and microscopic tools, we propose an abiotic transition pathway in which aqueous iron(II) ions in the presence of pure or preoxidized magnetite serve as an electron source to reduce rhenium(VII) to individual rhenium(IV) atoms or small polynuclear species on nanoparticle surfaces. Notably, iron(II) ions recharged preoxidized magnetite nanoparticles exhibit a maghemite core and a magnetite shell, challenging the traditional core-shell magnetite-maghemite model. This study provides a fundamental understanding of redox processes governing rhenium fate and transport in the environment and enables an improved basis for predicting its speciation in geochemical systems.

Science & Technology - Other Topics↗

NASA NTRS2012

Fault-Tolerant, Real-Time, Multi-Core Computer System

A document discusses a fault-tolerant, self-aware, low-power, multi-core computer for space missions with thousands of simple cores, achieving speed through concurrency. The proposed machine decides how to achieve concurrency in real time, rather than depending on programmers. The driving features of the system are simple hardware that is modular in the extreme, with no shared memory, and software with significant runtime reorganizing capability. The document describes a mechanism for moving ongoing computations and data that is based on a functional model of execution. Because there is no shared memory, the processor connects to its neighbors through a high-speed data link. Messages are sent to a neighbor switch, which in turn forwards that message on to its neighbor until reaching the intended destination. Except for the neighbor connections, processors are isolated and independent of each other. The processors on the periphery also connect chip-to-chip, thus building up a large processor net. There is no particular topology to the larger net, as a function at each processor allows it to forward a message in the correct direction. Some chip-to-chip connections are not necessarily nearest neighbors, providing short cuts for some of the longer physical distances. The peripheral processors also provide the connections to sensors, actuators, radios, science instruments, and other devices with which the computer system interacts.

Gostelow, Kim P.↗

DOE OSTI2024

High Performance Heat Pipe Power Transient Testing at SPHERE Facility

Microreactors are being researched, designed, and built at Idaho National Laboratory (INL). Microreactors are small reactors defined at less than 20MW of power. These reactor concepts are also being looked at throughout industry for various applications. An important aspect of these reactor designs is economic feasibility i.e. lower overnight capital cost. The driving factors for implementing microreactors are quick setup and takedown, minimal operators, and the ability to manufacture them readily and to fit in mid-sized containers for transport. A specific area of research to aid in successful integration of these factors within the designs is passive heat removal of the core’s thermal power. Interest in heat pipes to achieve this passive heat removal has been shown across multiple industry partners. Because of this interest, INL has developed a test facility to facilitate experimental tests for sodium filled heat pipes. INL has developed the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility to run experiments on high performance, sodium filled heat pipes. As mentioned above, heat pipes are passive heat transfer devices. Radially, heat pipes are broken up into an outer wall, a small annular gap, a wick structure, and a centerline gap. They function by utilizing latent heat transfer. Heat pipes are traditionally separated into three regions, an evaporator (heat input), an adiabatic region, and finally a condenser region (heat removal). As heat is being applied to the evaporator, the working fluid undergoes a phase change to a vapor. This phase change causes a differential pressure across the axial length of the pipe driving flow down the center gap of the heat pipe. The vapor flows down past the adiabatic region to the condenser where the heat is removed. This heat removal forces the working fluid to phase change back to a liquid. The wick structure is then utilized to drive the flow back towards the evaporator by capillary forces. This backflow is aided by the annular gap. Because this heat transfer mechanism functions with latent heat transfer, the heat pipe is close to isothermal down the axial length. Heat pipes can operate under a wide range of working fluids. Considerations for these working fluids are primarily driven by operating temperatures amongst other important factors based around overall performance. Sodium filled heat pipes operate from 450°C up to 900°C. This temperature range works well for the current microreactor designs. In conjunction with this experimental capability, INL has developed a modeling software to simulate heat pipe physics within reactor cores. This modeling software is called Sockeye and functions under the established INL Multiphysics Object Oriented Simulation Environment (MOOSE). SPHERE also supports Sockeye development by providing the modeling team with experimental data on an array of setups and operating parameters to support validation efforts. A power transient experiment was performed utilizing the SPHERE facility to continue to aid with Sockeye development. The testing followed a proposed test plan to ramp up and down the temperature of the heat pipe. Sockeye models steady state heat pipe operation with high accuracy, the data provided by the power transient testing aims to assist with the validation efforts and further enhance transient modeling capability of the tool [2].

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2002

Materials Properties Research at MSFC

MSFC is currently planning, organizing and directing test coupon fabrication and subsequent CTE testing for two mirror materials of specific interest to the AMSD and NGST programs, Beryllium 0-30H (Be 0-30H) and Ultra Low Expansion glass (ULE). The ULE test coupons are being fabricated at MSFC from AMSD core residuals provided by Kodak, The Be 0-30H test coupons are being fabricated at Brush Wellman using residuals from the SBMD. Both sets of test coupons will be sent to a test vendor selected through the NASA competitive proposal process with the test results being provided by written report to MSFC by the end of the fiscal year. The test results will become model input data for the AMSD analysts, both MSFC and contractor, providing an enhancement to the historical CTE data currently available.

Presson, Joan B.↗

DOE OSTI2025

MLSPICE: Machine Learning based SPICE Modeling Platform for Power Magnetics

Electrical power converters are critical to a wide range of applications ranging from renewable integration to transportation electrification, and can be a key factor determining the size, weight, and efficiency of energy conversion systems. Magnetic components are typically the largest and least efficient components in power electronics. While there have been major strides in the modeling and analysis of power semiconductor devices and circuit simulations, the necessary advances in the design of power magnetics have lagged. In this project, we have transformed the modeling and design of power magnetics with machine learning enabled methods and catalyze simultaneous disruptive improvements for ML-based power electronics design tools. A fully automated open-source machine learning based magnetics modeling platform – the MagNet project - with innovations in full stack have been developed to greatly accelerate the design process and provide new insights to magnetic material and geometry design. The ARPA-E funded MagNet platform contains three major building blocks: 1) a ML-Integrated Data Acquisition System (MIDAS): a highly automated data acquisition testbed which is capable of measuring a large number of magnetic cores with a wide range of electrical circuit excitations; 2) a ML-integrated Core Loss Model (MICLM): a machine-learning trained modeling method for modeling the core loss and saturation effects of magnetic materials for arbitrary excitation waveforms; 3) ML-guided Magnetics SPICE Simulation Tool (PMSPICE): a fully integrated CAD tool which can simulate the magnetics in SPICE. It can help the designers to quickly model the linear and non-linear characteristics of magnetic components and evaluate their behavior in SPICE simulations. The developed MagNet system has fully demonstrated the proposed performance target and has been open sourced to the entire power electronics community to advance the modeling and design of power magnetics from many different angles.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Phenomena Identification and Ranking Tables for High Temperature Gas-Cooled Microreactors

Micro-scaled high-temperature gas-cooled reactors (micro-HTGRs) offer a promising option for reliable power in remote or off-grid locations. While the safety characteristics of modular HTGRs have been widely studied, a micro-HTGR configuration alters several key thermal-fluid phenomena that govern both normal operation and passive decay-heat removal. In many proposed concepts, the reactor vessel is oriented horizontally and integrated into an ISO shipping container to enhance transportability and modular deployment. This report documents a Phenomena Identification and Ranking Table (PIRT) exercise focused on the thermal hydraulic safety phenomena relevant to all micro-HTGRs. The objective is to systematically identify, describe, and rank the importance, uncertainty, and modeling complexity of the key phenomena that control core and vessel temperatures during normal operation, pressurized conduction cooldown (PCC), and depressurized conduction cooldown (with air ingress) conditions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Robust Implicit Adaptive Low Rank Time-Stepping Methods for Matrix Differential Equations

In this work, we develop implicit rank-adaptive schemes for time-dependent matrix differential equations. The dynamic low rank approximation (DLRA) is a well-known technique to capture the dynamic low rank structure based on Dirac–Frenkel time-dependent variational principle. In recent years, it has attracted a lot of attention due to its wide applicability. Our schemes are inspired by the three-step procedure used in the rank adaptive version of the unconventional robust integrator (the so called BUG integrator) (Ceruti et al. in BIT Numer Math 62(4):1149–1174, 2022) for DLRA. First, a prediction (basis update) step is made computing the approximate column and row spaces at the next time level. Second, a Galerkin evolution step is invoked using an implicit solves for the small core matrix. Finally, a truncation is made according to a prescribed error threshold. Since the DLRA is evolving the differential equation projected on to the tangent space of the low rank manifold, the error estimate of the BUG integrator contains the tangent projection (modeling) error which cannot be easily controlled by mesh refinement. This can cause convergence issue for equations with cross terms. To address this issue, we propose a simple modification, consisting of merging the row and column spaces from the explicit step truncation method together with the BUG spaces in the prediction step. In addition, we propose an adaptive strategy where the BUG spaces are only computed if the residual for the solution obtained from the prediction space by explicit step truncation method, is too large. Here, we prove stability and estimate the local truncation error of the schemes under assumptions. We benchmark the schemes in several tests, such as anisotropic diffusion, solid body rotation and the combination of the two, to show robust convergence properties.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1986

The Martian climate and energy balance models with CO2/H2O atmospheres

The analysis begins with a seasonal energy balance model (EBM) for Mars. This is used to compute surface temperature versus x = sin(latitude) and time over the seasonal cycle. The core model also computes the evolving boundaries of the CO2 icecaps, net sublimational/condensation rates, and the resulting seasonal pressure wave. Model results are compared with surface temperature and pressure history data at Viking lander sites, indicating fairly good agreement when meridional heat transport is represented by a thermal diffusion coefficient D approx. 0.015 W/sq. m/K. Condensational wind distributions are also computed. An analytic model of Martian wind circulation is then proposed, as an extension of the EMB, which incorporates vertical wind profiles containing an x-dependent function evaluated by substitution in the equation defining the diffusion coefficient. This leads to a parameterization of D(x) and of the meridional circulation which recovers the high surface winds predicted by dynamic Mars atmosphere models (approx. 10 m/sec). Peak diffusion coefficients, D approx. 0.6 w/sq m/K, are found over strong Hadley zones - some 40 times larger than those of high-latitude baroclinic eddies. When the wind parameterization is used to find streamline patterns over Martian seasons, the resulting picture shows overturning hemispheric Hadley cells crossing the equator during solstices, and attaining peak intensities during the south summer dust storm season, while condensational winds are most important near the polar caps.

Hoffert, M. I.↗

NASA NTRS1992

Geodynamic contributions to global climatic change

Orbital and rotational variations perturb the latitudinal and seasonal pattern of incident solar radiation, producing major climatic change on time scales of 10(exp 4)-10(exp 6) years. The orbital variations are oblivious to internal structure and processes, but the rotational variations are not. A program of investigation whose objective would be to explore and quantify three aspects of orbital, rotational, and climatic interactions is described. An important premise of this investigation is the synergism between geodynamics and paleoclimate. Better geophysical models of precessional dynamics are needed in order to accurately reconstruct the radiative input to climate models. Some of the paleoclimate proxy records contain information relevant to solid Earth processes, on time scales which are difficult to constrain otherwise. Specific mechanisms which will be addressed include: (1) climatic consequences of deglacial polar motion; and (2) precessional and climatic consequences of glacially induced perturbations in the gravitational oblateness and partial decoupling of the mantle and core. The approach entails constructing theoretical models of the rotational, deformational, radiative, and climatic response of the Earth to known orbital perturbations, and comparing these with extensive records of paleoclimate proxy data. Several of the mechanisms of interest may participate in previously unrecognized feed-back loops in the climate dynamics system. A new algorithm for estimating climatically diagnostic locations and seasons from the paleoclimate time series is proposed.

Bills, Bruce G.↗

NASA NTRS1985

Some anticipated contributions to core fluid dynamics from the GRM

It is broadly maintained that the secular variation (SV) of the large scale geomagnetic field contains information on the fluid dynamics of Earth's electrically conducting outer core. The electromagnetic theory appropriate to a simple Earth model has recently been combined with reduced geomagnetic data in order to extract some of this information and ascertain its significance. The simple Earth model consists of a rigid, electrically insulating mantle surrounding a spherical, inviscid, and perfectly conducting liquid outer core. This model was tested against seismology by using truncated spherical harmonic models of the observed geomagnetic field to locate Earth's core-mantle boundary, CMB. Further electromagnetic theory has been developed and applied to the problem of estimating the horizontal fluid motion just beneath CMB. Of particular geophysical interest are the hypotheses that these motions: (1) include appreciable surface divergence indicative of vertical motion at depth, and (2) are steady for time intervals of a decade or more. In addition to the extended testing of the basic Earth model, the proposed GRM provides a unique opportunity to test these dynamical hypotheses.

Vanvorhies, C.↗

NASA NTRS1988

Comment on 'Generation of broadband noise in the magnetotail by the beam acoustic instability' by P.B. Dusenbery

It is shown here that of the three plasma models for the generation of broadband noise in the magnetotail proposed by Dusenbery and Lyons (1985), two result in the same types of instabilities that are also excited in the Grabbe and Eastman (GE, 1984) model, while the third model introduces other modes not present in the GE model. For the plasma parameters given in the GE model, the ion/ion acoustic instability is a nonresonant one, even though the phase velocity of the excited waves falls within the distribution function of the core ions. The nonlinear saturation mechanism of the ion/ion acoustic instability is the trapping of both the core and the beam ions. In a reply, Dusenbery addresses several ongoing controversies which have resulted from studies of wave particle interactions in the plasma sheet boundary layer.

Omidi, N.↗

NASA NTRS1983

Impact versus internal origins for mesosiderites

The textures, mineral compositions, and thermal history of mesosiderites are examined to see whether they are compatible with any kind of impact process or internal process which might produce stony-iron breccias. It was proposed that cratering by metal projectiles is not an adequate origin mechanism since it would not deposit enough metal in the stony-iron breccias. It was also proposed that such mechanisms as accretion of differentiated planitesimals must be considered for mesosiderite origins. But no single model for origins is fully satisfactory. Disruption and reassembly of two colliding bodies could form stony-iron breccias at depth, but, as with the previous models, the easiest way to explain the low olivine of mesosiderites is to postulate derivation from olivine-poor chondritic material. Turbulent metal-crust mixing during core formation and crustal blocks sinking into the core withhold olivine from the breccia but do not explain how the silicate and metal liquids in subgroup IV could have failed to segregate.

Hewins, R. H.↗

NASA NTRS2005

Enabling New Operations Concepts for Lunar and Mars Exploration

The planning and scheduling of human space activities is an expensive and time-consuming task that seldom provides the crew with the control, flexibility, or insight that they need. During the past thirty years, scheduling software has seen only incremental improvements; however, software limitations continue to prevent even evolutionary improvements in the operations concept that is used for human space missions. Space missions are planned on the ground long before they are executed in space, and the crew has little input or influence on the schedule. In recent years the crew has been presented with a job jar of activities that they can do whenever they have time, but the contents of the jar is limited to tasks that do not use scarce shared resources and do not have external timing constraints. Consequently, the crew has no control over the schedule of the majority of their own tasks. As humans venture farther from earth for longer durations, it will become imperative that they have the ability to plan and schedule not only their own activities, but also the unattended activities of the systems, equipment, and robots on the journey with them. Significant software breakthroughs are required to enable the change in the operations concept. The crew does not have the time to build or modify the schedule by hand. They only need to issue a request to schedule a task and the system should automatically do the rest. Of course, the crew should not be required to build the complete schedule. Controllers on the ground should contribute the models and schedules where they have the better knowledge. The system must allow multiple simultaneous users, some on earth and some in space. The Mission Operations Laboratory at NASA's Marshall Space flight Center has been researching and prototyping a modeling schema, scheduling engine, and system architecture that can enable the needed paradigm shift - it can make the crew autonomous. This schema and engine can be the core of a planning and scheduling system that would enable multiple planners, some on the earth and some in space, to build one integrated timeline. Its modeling schema can capture all the task requirements; its scheduling engine can build the schedule automatically, and its architecture can allow those (on earth and in space) with the best knowledge of the tasks to schedule them. This paper describes the enabling technology and proposes an operations concept for astronauts autonomously scheduling their activities and the activities around them.

Jaap, John↗

DOE OSTI2026

Cosmic Overture Echoed in a Stellar Final Act: Implications of Nanohertz Gravitational Waves for Core Collapse Supernova Neutrinos

The growing evidence for nanohertz gravitational waves, from NANOGrav and other observations, may be pointing to a cosmological first-order phase transition at temperatures of 𝒪⁢(10−100)⁢MeV. Such an interpretation requires beyond the Standard Model dynamics in this energy range. If so, it may well be the case that galactic core-collapse supernova explosions would produce the key components related to the first-order phase transition, leaving detectable imprints on the spectrum of neutrinos emitted in the initial few seconds of the collapse. This might provide further evidence in support of the early universe interpretation of the nanohertz gravitational wave signal. The scenario proposed here is also suggestive of a low-mass seesaw mechanism to explain neutrino masses. We outline the prospects for future observations of Galactic supernovae to uncover the signals of this scenario, with further confirmation from future pulsar timing array measurements of primordial nanohertz gravitational waves.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1984

A proposal for the proper use of pseudopotentials in molecular orbital cluster model studies of chemisorption

The interaction of CO with Cu5, Ni5, and Al4 are treated as model systems for molecular adsorption on metal surfaces. The effect of the use of pseudopotentials for the metal atoms is studied by considering three types of clusters. In the first case, all of the metal electrons are explicitly included in the wave function; an all electron (AE) treatment. In the second case, the metal atom which directly interacts with the CO is described by AE but the remaining metal atoms include a pseudopotential for their core electrons. Finally, in the third case, all of the metal atoms in the cluster have a pseudopotential treatment for the core electrons. The AE cluster results are taken as reference values for the two pseudopotential treatments. The mixed cluster results are in excellent agreement with those of the all AE clusters; however, the results for the all pseudopotential cluster of Ni5CO or of Cu5CO are qualitatively different. The pseudopotential treatment for all of the metal atoms often leads to results that contain serious errors and it is not a reliable approach.

Bagus, P. S.↗

NASA NTRS2016

JPL's Foundry Furnace: Web-Based Concurrent Engineering for Formulation

The Jet Propulsion Laboratory’s Innovation Foundry is an enterprise tasked with shepherding space mission concepts through the formulation lifecycle. It oversees a number of “virtual teams” for the various stages of formulation. Among these is Team X, which has had considerable success over its more than 20-year history. In a Team X study, domain experts (including engineers devoted to the various spacecraft subsystems) work concurrently and collaboratively over several days to arrive at a feasible point design with a reasonable cost estimate. They use a set of linked Excel workbooks, each developed and approved by a responsible “line organization” within JPL. This toolset has served Team X well over the years, and has evolved since its inception. At the same time, the Innovation Foundry’s portfolio of formulation teams has expanded, and so has the scope of the design challenges they face. The A-Team runs workshop-like architecture studies to focus science investigations, generate mission concepts, assess feasibility, and explore trade spaces. Team Xc performs rapid point design in the style of Team X, but for CubeSats and small spacecraft, using a different toolset. Proposal teams further mature concepts to the point where they can be proposed. Recognizing the importance of trade space modeling combined with new IT services for providing and integrating data, JPL is developing the Foundry Furnace web-based software infrastructure. It will support A-Team, Team Xc, and Team X, providing study management, a catalog of hardware components, a library of re-usable analyses, and a design environment. It is a modernization of JPL’s concurrent engineering infrastructure, embracing the core concepts of Model-Based Systems Engineering, and built with modern software design philosophies.

Murphy, Jonathan↗

DOE OSTI2024

On the Training and Generalization of Deep Operator Networks

Here, we present a novel training method for deep operator networks (DeepONets), one of the most popular neural network models for operators. DeepONets are constructed by two subnetworks, namely the branch and trunk networks. Typically, the two subnetworks are trained simultaneously, which amounts to solving a complex optimization problem in a high dimensional space. In addition, the nonconvex and nonlinear nature makes training very challenging. To tackle such a challenge, we propose a two-step training method that trains the trunk network first and then sequentially trains the branch network. The core mechanism is motivated by the divide-and-conquer paradigm and is the decomposition of the entire complex training task into two subtasks with reduced complexity. Therein the Gram–Schmidt orthonormalization process is introduced which significantly improves stability and generalization ability. On the theoretical side, we establish a generalization error estimate in terms of the number of training data, the width of DeepONets, and the number of input and output sensors. Numerical examples are presented to demonstrate the effectiveness of the two-step training method, including Darcy flow in heterogeneous porous media.

deep operator networks↗

NASA NTRS1976

On the origin of the solar system and of Jupiter and its satellites

The evolution of the middle part of the primitive solar nebula is traced through seven stages: (1) a gravitational instability which clumps condensed material into bodies of appreciable size; (2) the formation of a larger body as a result of mutual collisions; (3) gravitational condensation of the gas in the nebula; (4) subsequent hydrodynamic collapse of the gas onto a heavy-element planetary core; (5) the attainment of a highly distended hydrostatic configuration and its subsequent slow gravitational contraction; (6) the formation of a gaseous disk around proto-Jupiter; and (7) the formation of the Galilean satellites (and Amalthea) within this disk. Different theories on the origin of the primitive solar nebula are reviewed, models of Jupiter are evaluated, and the origin and evolution of the planet are traced through the indicated stages. It is proposed that Jupiter's current excess luminosity is due mostly to a loss of internal energy generated during the initially more rapid contraction period and, to a lesser degree, to the planet's current release of gravitational energy. The question of when the icy constituent was added to the outer two Galilean satellites is considered.

Cameron, A. G. W.↗