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DOE OSTI2025

Uncontrolled Learning: Codesign of Neuromorphic Hardware Topology for Neuromorphic Algorithms

Neuromorphic computing has the potential to revolutionize future technologies and our understanding of intelligence, yet it remains challenging to realize in practice. The learning-from-mistakes algorithm, inspired by the brain's simple learning rules of inhibition and pruning, is one of the few brain-like training methods. This algorithm is implemented in neuromorphic memristive hardware through a codesign process that evaluates essential hardware trade-offs. While the algorithm effectively trains small networks as binary classifiers and perceptrons, performance declines significantly with increasing network size unless the hardware is tailored to the algorithm. This work investigates the trade-offs between depth, controllability, and capacity—the number of learnable patterns—in neuromorphic hardware. This highlights the importance of topology and governing equations, providing theoretical tools to evaluate a device's computational capacity based on its measurements and circuit structure. The findings show that breaking neural network symmetry enhances both controllability and capacity. Additionally, by pruning the circuit, neuromorphic algorithms in all-memristive circuits can utilize stochastic resources to create local contrasts in network weights. Through combined experimental and simulation efforts, the parameters are identified that enable networks to exhibit emergent intelligence from simple rules, advancing the potential of neuromorphic computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2020

Global Aerodynamic Modeling Using Automated Local Model Networks in Real Time

A novel method is presented for automated real-time global aerodynamic modeling using local model networks, known as Smoothed Partitioning with Localized Trees in Real Time (SPLITR), as part of NASA’s Learn-to-Fly technology development initiative. The global nonlinear aerodynamics are partitioned into several local regions known as cells, with the dimension, location, and timing of each partition automatically selected based on a residual characterization procedure, under the constraints of real-time operation. Regression trees represent the successive partitioning of the global flight envelope and describe the evolution of the cell structure. Recursive equation-error least-squares parameter estimation in the time domain is used to estimate a model that represents the local aerodynamics in each region, so that it can be updated independently with non-contiguous data in the range of each cell over time. A weighted superposition of these piecewise local models across the flight envelope forms a global nonlinear model that also accurately captures the local aerodynamics. The SPLITR approach is demonstrated using both simulation and flight data, and the results are analyzed in terms of model predictive capabilities as well as interpretability. The results show that SPLITR can be used to automatically partition complex nonlinear aerodynamic behavior, produce an accurate model, and provide valuable physical insight into the local and global aerodynamics.

Weinstein, Rose↗

NASA NTRSDate not supplied

In Search of Data-Driven Improvements to RANS Models Applied to Separated Flows

The goal of this work is to improve the capability of Reynolds-averaged Navier-Stokes turbulence models for separated flows using data-driven enhancements. The resulting model should be “universal” in the sense that it can be used by anyone and applied to as many flows as possible without concern for unusual or detrimental behavior. At worst, the data-driven corrections should not degrade the accuracy of the baseline model (in this case the Spalart-Allmaras one-equation model), while preserving the Galilean invariance and similar theoretical qualities of the original model. In the literature, most current data-driven improvements to turbulence models are only applicable to very similar types of cases as those used to train the model for a specific class of flows. In this work, the impact of using a wide array of cases in the machine-learning training is described. Unwanted behaviors from trained neural networks are examined, and possible mitigation strategies are proposed. However, to date, consistent and broadly applicable data-driven improvements for separated flows have not been achieved.

turbulence modeling↗

DOE OSTI2026

A Data-Driven Method for Modeling Creep-Fatigue Stress- Strain Behavior Using Neural ODEs

In this paper, we introduce a data-driven machine learning approach for modeling one-dimensional stress–strain behavior under cyclic loading, utilizing experimental data from the nickel-based Alloy 617. The study employs uniaxial creep–fatigue test data acquired under various loading histories and compares two distinct neural network-based ODE models. The first model, known as the black-box model, comprehensively describes the strain–stress relationship using a Neural ODE equation. To interpret this black-box model, we apply the Sparse Identification of Nonlinear Dynamical Systems (SINDy) technique, transforming the black-box model into an equation-based model using symbolic regression. The second model, the Neural flow rule model, incorporates Hooke’s Law for the linear elastic component, with the nonlinear part characterized by a Neural ODE. Both models are trained with experimental data to accurately reflect the observed stress–strain behavior. We conduct a detailed comparison with the standard Chaboche model, which includes three back stresses. Our results demonstrate that the neural network-based ODE models precisely capture the experimental creep–fatigue mechanical behavior, exceeding the standard Chaboche model’s accuracy. Furthermore, an interpretable model derived from the black-box neural ODE model through symbolic regression achieves accuracy comparable to the Chaboche model, enhancing its interpretability. The results highlight the potential of neural network-based ODE models to depict complex creep–fatigue behavior, eliminating the necessity for experts to define a specific, material-focused model form.

creep-fatigue↗

DOE OSTI2024

A Pseudoreversible Normalizing Flow for Stochastic Dynamical Systems with Various Initial Distributions

Here, we present a pseudoreversible normalizing flow method for efficiently generating samples of the state of a stochastic differential equation (SDE) with various initial distributions. The primary objective is to construct an accurate and efficient sampler that can be used as a surrogate model for computationally expensive numerical integration of SDEs, such as those employed in particle simulation. After training, the normalizing flow model can directly generate samples of the SDE’s final state without simulating trajectories. The existing normalizing flow model for SDEs depends on the initial distribution, meaning the model needs to be retrained when the initial distribution changes. The main novelty of our normalizing flow model is that it can learn the conditional distribution of the state, i.e., the distribution of the final state conditional on any initial state, such that the model only needs to be trained once and the trained model can be used to handle various initial distributions. This feature can provide a significant computational saving in studies of how the final state varies with the initial distribution. Additionally, we propose to use a pseudoreversible network architecture to define the normalizing flow model, which has sufficient expressive power and training efficiency for a variety of SDEs in science and engineering, e.g., in particle physics. We provide a rigorous convergence analysis of the pseudoreversible normalizing flow model to the target probability density function in the Kullback–Leibler divergence metric. Numerical experiments are provided to demonstrate the effectiveness of the proposed normalizing flow model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Macroscopic trends of neoclassical tearing stability in high-field H-mode tokamak pilot plants

The neoclassical tearing mode (NTM) stability metric—minimum marginally stable island width $w$$^{*}_{m}$—was compared across 14651 inductive high-field tokamak pilot plant equilibria. Larger devices with reduced elongation and/or increased minor radius demonstrated an order-of-magnitude increase in $w$$^{*}_{m}$, primarily due to a reduction in bootstrap drive. This work is part of an ongoing effort to ensure passive NTM-stability in the ARC tokamak, in which the technology to achieve active tearing-suppression with localised electron cyclotron current drive does not yet exist. The equilibrium scenarios in the database were Monte Carlo generated and normalised to the same >400MW fusion power, minimum pressure scenario at a range of plasma currents, before tearing analysis using the modified Rutherford equation was applied for all resonant poloidal and toroidal m, n modes up to n = 4. Single-helicity toroidal Δ' calculations in resistive DCON set the minimum marginally stable island width, and a simple modal scaling proportional to –m 2 n –1 was identified for high-m Δ' values. The dominant correlates of $w$$^{*}_{m}$ and Δ' across the database were analysed using interpretable machine learning techniques.

NTM seeding↗

DOE OSTI2025

Cation Disorder of ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ in Super‐Earth Mantles

Understanding the mineralogy of exoplanets is essential for unraveling their interior structures, dynamics, and evolution. For large super-Earths, the post-post spinel ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$, one of the major mantle phases, may undergo the order-disorder transition (ODT) at high temperatures. However, the ODT phase boundary of ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ has not been rigorously constrained. Additionally, fundamental thermodynamic properties of the disordered ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ remain poorly investigated. Here, we develop a unified machine learning potential (MLP) for ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ of ab initio accuracy under super-Earth mantle conditions. With the efficient MLP, we extensively calculate the free energy of post-post spinel ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ via the thermodynamic integration method. The results are used to constrain the ODT phase boundary. Furthermore, we report the P-V-T equation of state and Grüneisen parameters for post-post spinel ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ across various degrees of disorder. These thermodynamic properties are further applied to update the adiabatic thermal profiles and the mass-radius relation of super-Earths.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Convergence Acceleration and Documentation of CFD Codes for Turbomachinery Applications

The development and analysis of turbomachinery components for industrial and aerospace applications has been greatly enhanced in recent years through the advent of computational fluid dynamics (CFD) codes and techniques. Although the use of this technology has greatly reduced the time required to perform analysis and design, there still remains much room for improvement in the process. In particular, there is a steep learning curve associated with most turbomachinery CFD codes, and the computation times need to be reduced in order to facilitate their integration into standard work processes. Two turbomachinery codes have recently been developed by Dr. Daniel Dorney (MSFC) and Dr. Douglas Sondak (Boston University). These codes are entitled Aardvark (for 2-D and quasi 3-D simulations) and Phantom (for 3-D simulations). The codes utilize the General Equation Set (GES), structured grid methodology, and overset O- and H-grids. The codes have been used with success by Drs. Dorney and Sondak, as well as others within the turbomachinery community, to analyze engine components and other geometries. One of the primary objectives of this study was to establish a set of parametric input values which will enhance convergence rates for steady state simulations, as well as reduce the runtime required for unsteady cases. The goal is to reduce the turnaround time for CFD simulations, thus permitting more design parametrics to be run within a given time period. In addition, other code enhancements to reduce runtimes were investigated and implemented. The other primary goal of the study was to develop enhanced users manuals for Aardvark and Phantom. These manuals are intended to answer most questions for new users, as well as provide valuable detailed information for the experienced user. The existence of detailed user s manuals will enable new users to become proficient with the codes, as well as reducing the dependency of new users on the code authors. In order to achieve the objectives listed, the following tasks were accomplished: 1) Parametric Study Of Preconditioning Parameters And Other Code Inputs; 2) Code Modifications To Reduce Runtimes; 3) Investigation Of Compiler Options To Reduce Code Runtime; and 4) Development/Enhancement of Users Manuals for Aardvark and Phantom

Marquart, Jed E.↗

NASA NTRS2010

A Chess-Like Game for Teaching Engineering Students to Solve Large System of Simultaneous Linear Equations

Solving large (and sparse) system of simultaneous linear equations has been (and continues to be) a major challenging problem for many real-world engineering/science applications [1-2]. For many practical/large-scale problems, the sparse, Symmetrical and Positive Definite (SPD) system of linear equations can be conveniently represented in matrix notation as [A] {x} = {b} , where the square coefficient matrix [A] and the Right-Hand-Side (RHS) vector {b} are known. The unknown solution vector {x} can be efficiently solved by the following step-by-step procedures [1-2]: Reordering phase, Matrix Factorization phase, Forward solution phase, and Backward solution phase. In this research work, a Game-Based Learning (GBL) approach has been developed to help engineering students to understand crucial details about matrix reordering and factorization phases. A "chess-like" game has been developed and can be played by either a single player, or two players. Through this "chess-like" open-ended game, the players/learners will not only understand the key concepts involved in reordering algorithms (based on existing algorithms), but also have the opportunities to "discover new algorithms" which are better than existing algorithms. Implementing the proposed "chess-like" game for matrix reordering and factorization phases can be enhanced by FLASH [3] computer environments, where computer simulation with animated human voice, sound effects, visual/graphical/colorful displays of matrix tables, score (or monetary) awards for the best game players, etc. can all be exploited. Preliminary demonstrations of the developed GBL approach can be viewed by anyone who has access to the internet web-site [4]!

Nguyen, Duc T.↗

NASA NTRS2002

Technical Challenges of Drilling on Mars

In the last year, NASA's Mars science advisory committee (MEPAG: Mars Exploration Payload Advisory Group) has formally recommended that deep drilling be undertaken as a priority investigation to meet astrobiology and geology goals. This proposed new dimension in Mars exploration has come about for several reasons. Firstly, geophysical models of the martian subsurface environment indicate that we may well find liquid water (in the form of brines) under ground-ice at depths of several kilometers near the equator. On Earth we invariably find life forms associated with any environmental niche that supports liquid water. New data from the Mars Global Surveyor have shown that the most recent volcanism on Mars is very young so we cannot rule out contemporary volcanism -- in which case subsurface temperatures consistent with having water in its liquid phase may be found at relatively shallow depths. Secondly, in recent decades we have learned to our surprise that the Earth's subsurface (microbial) biosphere extends to depths of many kilometers and this discovery provides the basis for planning to explore the martian subsurface in search of ancient or even extant microbial life forms. We know (from Viking measurements) that all the biogenic elements (C, H, O, N, P, S) are available on Mars. What we therefore hope to learn is whether or not the evolution of life is inevitable given the necessary ingredients and, by implication, whether the Universe may be teeming with life. The feasibility of drilling deep into the surface of Mars has been the subject of increasing attention within NASA (and more recently among some of its international partners) for several years and this led to a broad-based feasibility study carried out by the Los Alamos National Laboratory and, subsequently, to the development of several hardware prototypes. This paper is intended to provide a general survey of that activity.

Briggs, Geoffrey↗

DOE OSTI2024

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

In this work, we present a scalable approach for inferring the dark energy equation-of-state parameter ($w$) from a population of strong gravitational lens images using Simulation-Based Inference (SBI). Strong gravitational lensing offers crucial insights into cosmology, but traditional Monte Carlo methods for cosmological inference are computationally prohibitive and inadequate for processing the thousands of lenses anticipated from future cosmic surveys. New tools for inference, such as SBI using Neural Ratio Estimation (NRE), address this challenge effectively. By training a machine learning model on simulated data of strong lenses, we can learn the likelihood-to-evidence ratio for robust inference. Our scalable approach enables more constrained population-level inference of $w$ compared to individual lens analysis, constraining $w$ to within $1\sigma$.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Population-level Dark Energy Constraints from Strong Gravitational Lensing using Simulation-Based Inference

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Using Computer Simulations to Optimize Biofuel Production

The DOE strives to ensure America's security and prosperity by addressing energy challenges. NREL shares this goal and tries to achieve a clean energy world. Fossil fuels are problematic for both organizations. Using them endangers American security. Their supply is finite and burning them causes environmental damage. Biofuels are a good alternative to fossil fuels. They are renewably produced on American soil and can lower greenhouse gas emissions. Also, cars and planes need no costly mechanical adjustments to use biofuels. However, the fuels themselves are expensive. For my SULI project, I reduced the cost of biofuels by optimizing the production process through computer simulations. Existing simulations were accurate but slow. One simulation takes up to eight hours, and researchers must do hundreds. My solution reduces the computing time. I treated the biomass particles in the simulation as one-dimensional. That simplified the simulation equations, making them easier for the computer to solve. Still, biomass particles are three-dimensional. The 1D assumption was wrong and produced inaccurate results. To maintain accuracy while increasing speed, I developed a method to convert 1D simulation results into usable 3D data. I adjusted the 1D simulation until the output matched the 3D results for a specific environment. I found out how much the simulation changed when the environment changed. Machine learning algorithms defined a relationship between 1D and 3D data for all environments. This lets scientists convert fast 1D simulation results into valid 3D data.

1D↗

DOE OSTI2025

High‐Resolution National‐Scale Water Modeling Is Enhanced by Multiscale Differentiable Physics‐Informed Machine Learning

Abstract The National Water Model (NWM) is a key tool for flood forecasting, planning, and water management. Key challenges facing the NWM include calibration and parameter regionalization when confronted with big data. We present two novel versions of high‐resolution (∼37 km 2 ) differentiable models (a type of hybrid model): one with implicit, unit‐hydrograph‐style routing and another with explicit Muskingum‐Cunge routing in the river network. The former predicts streamflow at basin outlets whereas the latter presents a discretized product that seamlessly covers rivers in the conterminous United States (CONUS). Both versions use neural networks to provide a multiscale parameterization and process‐based equations to provide a structural backbone, which were trained simultaneously (“end‐to‐end”) on 2,807 basins across the CONUS and evaluated on 4,997 basins. Both versions show great potential to elevate future NWM performance for extensively calibrated as well as ungauged sites: the median daily Nash‐Sutcliffe efficiency of all 4,997 basins is improved to around 0.68 from 0.48 of NWM3.0. As they resolve spatial heterogeneity, both versions greatly improved simulations in the western CONUS and also in the Prairie Pothole Region, a long‐standing modeling challenge. The Muskingum‐Cunge version further improved performance for basins >10,000 km 2 . Overall, our results show how neural‐network‐based parameterizations can improve NWM performance for providing operational flood predictions while maintaining interpretability and multivariate outputs. The modeling system supports the Basic Model Interface (BMI), which allows seamless integration with the next‐generation NWM. We also provide a CONUS‐scale hydrologic data set for further evaluation and use.

Song, Yalan [Civil and Environmental Engineering T↗

NASA NTRS1995

Object-oriented approach for gas turbine engine simulation

An object-oriented gas turbine engine simulation program was developed. This program is a prototype for a more complete, commercial grade engine performance program now being proposed as part of the Numerical Propulsion System Simulator (NPSS). This report discusses architectural issues of this complex software system and the lessons learned from developing the prototype code. The prototype code is a fully functional, general purpose engine simulation program, however, only the component models necessary to model a transient compressor test rig have been written. The production system will be capable of steady state and transient modeling of almost any turbine engine configuration. Chief among the architectural considerations for this code was the framework in which the various software modules will interact. These modules include the equation solver, simulation code, data model, event handler, and user interface. Also documented in this report is the component based design of the simulation module and the inter-component communication paradigm. Object class hierarchies for some of the code modules are given.

Curlett, Brian P.↗

NASA NTRS2002

Multi-Zone Liquid Thrust Chamber Performance Code with Domain Decomposition for Parallel Processing

Computational Fluid Dynamics (CFD) has considerably evolved in the last decade. There are many computer programs that can perform computations on viscous internal or external flows with chemical reactions. CFD has become a commonly used tool in the design and analysis of gas turbines, ramjet combustors, turbo-machinery, inlet ducts, rocket engines, jet interaction, missile, and ramjet nozzles. One of the problems of interest to NASA has always been the performance prediction for rocket and air-breathing engines. Due to the complexity of flow in these engines it is necessary to resolve the flowfield into a fine mesh to capture quantities like turbulence and heat transfer. However, calculation on a high-resolution grid is associated with a prohibitively increasing computational time that can downgrade the value of the CFD for practical engineering calculations. The Liquid Thrust Chamber Performance (LTCP) code was developed for NASA/MSFC (Marshall Space Flight Center) to perform liquid rocket engine performance calculations. This code is a 2D/axisymmetric full Navier-Stokes (NS) solver with fully coupled finite rate chemistry and Eulerian treatment of liquid fuel and/or oxidizer droplets. One of the advantages of this code has been the resemblance of its input file to the JANNAF (Joint Army Navy NASA Air Force Interagency Propulsion Committee) standard TDK code, and its automatic grid generation for JANNAF defined combustion chamber wall geometry. These options minimize the learning effort for TDK users, and make the code a good candidate for performing engineering calculations. Although the LTCP code was developed for liquid rocket engines, it is a general-purpose code and has been used for solving many engineering problems. However, the single zone formulation of the LTCP has limited the code to be applicable to problems with complex geometry. Furthermore, the computational time becomes prohibitively large for high-resolution problems with chemistry, two-equation turbulence model, and two-phase flow. To overcome these limitations, the LTCP code is rewritten to include the multi-zone capability with domain decomposition that makes it suitable for parallel processing, i.e., enabling the code to run every zone or sub-domain on a separate processor. This can reduce the run time by a factor of 6 to 8, depending on the problem.

Homayun K. Navaz↗

NASA NTRSDate not supplied

Improved Breathing Cartridge (IBC)

The Fire Cartridge (FC) is designed to work with the Emergency Mask (EM) to protect the crew by cleaning the inhaled air in a post fire environment. The Improved Breathing Cartridge (IBC) is designed as a next generation FC with the lessons learned from years of building and testing the FC design, as well as novel catalyst materials to improve the performance and robustness of the cartridge. The FC was designed with minimal margin to save on mass, while the IBC was sized to have over 100% excess catalyst to achieve the required conversion, and still reduce the production cost. Kinetic data taken from another project was used to size the catalyst bed from the standard plug flow reactor conversion equation. The cartridge has been 3D printed and will soon be filled with the required levels of media. Testing has not yet been performed to determine final performance.

Fire Response↗