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DOE OSTI2024

Active learning for the design of polycrystalline textures using conditional normalizing flows

Generative modeling has opened new avenues for solving previously intractable materials design problems. However, these new opportunities are accompanied by a drastic increase in the required amount of training data. This is in stark juxtaposition to the high expense and difficulty in curating such large materials datasets. In this work, we propose a novel framework for integrating generative models within an active learning loop. Further, this enables the training of generative models with datasets significantly smaller than what has previously been demonstrated, providing a direct route for their application in data constrained environments. The functionality of this framework is then demonstrated by addressing the challenge of designing polycrystalline textures associated with target anisotropic mechanical properties. The developed protocol exhibited a cost reduction between 14 to 18 times over a randomly sampled experimental design.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Conditional Sampling with Monotone GANs: From Generative Models to Likelihood-Free Inference

Not provided.

Mathematics↗

NASA NTRS1981

Do initial conditions matter? A comparison of model climatologies generated from different initial states

A coarse mesh (8 by 10) 7 layer global climate model was used to compute 15 months of meteorological history in two perpetual January experiments on a water planet (without continents) with a zonally symmetric climatological January sea surface temperature field. In the first of the two water planet experiments the initial atmospheric state was a set of zonal mean values of specific humidity, temperature, and wind at each latitude. In the second experiment the model was initialized with globally uniform mean values of specific humidity and temperature on each sigma level surface, constant surface pressure (1010 mb), and zero wind everywhere. A comparison was made of the mean January climatic states generated by the two water planet experiments. The first two months of each 15 January run were discarded, and 13 month averages were computed from months 3 through 15.

Spar, J.↗

DOE OSTI2025

Generative learning for slow manifolds and bifurcation diagrams

In dynamical systems characterized by separation of time scales, the approximation of so called “slow manifolds”, on which the long term dynamics lie, is a useful step for model reduction. Initializing on such slow manifolds is a useful step in modeling, since it circumvents fast transients, and is crucial in multiscale algorithms (like the equation-free approach) alternating between fine scale (fast) and coarser scale (slow) simulations. In a similar spirit, when one studies the infinite time dynamics of systems depending on parameters, the system attractors (e.g., its steady states) lie on bifurcation diagrams (curves for one-parameter continuation, and more generally, on manifolds in state parameter space. Sampling these manifolds gives us representative attractors (here, steady states of ODEs or PDEs) at different parameter values. Algorithms for the systematic construction of these manifolds (slow manifolds, bifurcation diagrams) are required parts of the “traditional” numerical nonlinear dynamics toolkit. In more recent years, as the field of Machine Learning develops, conditional score-based generative models (cSGMs) have been demonstrated to exhibit remarkable capabilities in generating plausible data from target distributions that are conditioned on some given label. It is tempting to exploit such generative models to produce samples of data distributions (points on a slow manifold, steady states on a bifurcation surface) conditioned on (consistent with) some quantity of interest (QoI, observable). In this work, we present a framework for using cSGMs to quickly (a) initialize on a low-dimensional (reduced-order) slow manifold of a multi-time-scale system consistent with desired value(s) of a QoI (a “label”) on the manifold, and (b) approximate steady states in a bifurcation diagram consistent with a (new, out-of-sample) parameter value. This conditional sampling can help uncover the geometry of the reduced slow-manifold and/or approximately “fill in” missing segments of steady states in a bifurcation diagram. Finally, the quantity of interest, which determines how the sampling is conditioned, is either known a priori or identified using manifold learning-based dimensionality reduction techniques applied to the training data.

Dynamical systems↗

DOE OSTI2025

Enhancing Unknown Waveform Detection by Learning Intra and Inter-domain Dependencies with Advanced Attention Fusion Mechanisms

Detection of unknown waveforms in mission-critical communications is a crucial area of interest for the Department of Energy (DoE). Traditional methods and recent deep learning-based approaches often assume that the training set includes all possible classes, which is impractical for detecting new waveforms. This limitation gives rise to the problem of open-set recognition (OSR), which involves correctly identifying known classes while detecting and rejecting unknown or unseen classes. To address this limitation, we propose a novel dual-domain complex-valued neural architecture that jointly processes time-domain and frequency-domain signal representations using transformer mechanisms. A transformer model is a deep learning architecture that uses self-attention mechanisms to process and learn relationships in sequential data. Our model employs a cosine similarity loss to extract domain-specific features and incorporates a transformer architecture in the latent space to weigh the importance of different features from the time and frequency domains. The transformer layer includes stacked self-attention and cross-attention modules to learn intra-domain and inter-domain dependencies, creating a more holistic signal representation. An attention-based fusion module intelligently combines the time and frequency-domain features using multi-head attention, enabling the network to learn the optimal feature for each domain in each input signal. Quantitative results demonstrate the impact of these architectural choices on overall performance, showing significant improvement after incorporating self and cross-attention modules and using complex attention fusion over simple weighted fusion. Our ongoing work will focus on addressing the limitations of threshold-based OSR methods by developing a novel generative framework that integrates a conditional diffusion probabilistic model (DPM). DPM is a generative framework that learns to synthesize complex data by reversing a gradual noising process using a neural network trained to denoise step-by-step. Our goal is to leverage the inherent strengths of DPMs for identifying unknown signals more robustly. One primary advantage of using a DPM is its ability to provide a more reliable anomaly score based on the model's reconstruction error, rather than relying solely on classifier confidence. Additionally, the iterative denoising process of DPMs makes this approach naturally resilient to low Signal-to-Noise Ratio (SNR) conditions, where traditional methods often fail. By implementing this generative framework, we aim to enhance the model's capability to accurately detect unknown waveforms and maintain performance in challenging environments.

99 - GENERAL AND MISCELLANEOUS↗

NASA NTRS2020

Aircraft Engine Run-To-Failure Data Set Under Real Flight Conditions

The generation of data-driven prognostics models requires the availability of datasets with run-to-failure trajectories. In order to contribute to the development of these methods, the dataset provides a new realistic dataset of run-to-failure trajectories for a small fleet of aircraft engines under realistic flight conditions. The damage propagation modelling used for the generation of this synthetic dataset builds on the modelling strategy from previous work [1] and incorporates two new levels of fidelity. First, it considers real flight conditions as recorded on board of a commercial jet [2]. Secondly, it extends the degradation modelling by relating the degradation process to the operation history. The dataset was generated with the Commercial Modular Aero-Propulsion System Simulation (C-MAPSS) dynamical model [3]. More details about the generation process can be found in [4].

CMAPSS↗

NASA NTRSDate not supplied

Selection of Next Priority IMPACT Medical Conditions Based on Available Terrestrial and Spaceflight Data

BACKGROUND: As the era of exploration class missions begins, identification of medical conditions that may occur and require management becomes essential for the modeling of medical risk. To this end, NASA has developed IMPACT (Informing Mission Planning via Analysis of Complex Tradespaces), a suite of tools to assist in assessment of medical risk analysis. It has incorporated an initial list of the 120 conditions of highest concern, labeled the IMPACT condition list 1.0 (ICL 1.0). This abstract describes a method for prioritizing the 92 conditions included on the Proposed Future Conditions List (PFCL) for inclusion in future iterations of the ICL. OVERVIEW: To construct the Prioritized Proposed Future Conditions List (P-PFCL), each condition on the PFCL was scored as “low,” “medium,” or “high” on each of four variables: incidence, likelihood of significant task impairment, diagnostic and treatment complexity, and treatment futility. Qualitative assessment using clinical judgement was utilized to score complexity, futility, and likelihood of impairment. Incidence was assessed quantitatively using spaceflight data and/or analog populations where available then assigned a score using established cutoffs. Logarithmic numerical values were assigned to each category label. A Prioritization Score was generated for each condition by taking the product of incidence and likelihood of task impairment (risk) divided by the product of complexity and futility (difficulty of care), with higher values corresponding to higher priority for future inclusion in the ICL. DISCUSSION: The described methods allow for the generation of a ranked P-PFCL to act as a decision support tool for selection of the next generation of modeled medical conditions. Some of the conditions ranked highly on the P-PFCL include EVA-related upper and lower extremity sprain/strain, iron deficiency, delirium, and hypertension, among others. While this effort does not attempt to quantify the absolute risk associated with each condition, it does attempt to semi-quantitatively estimate the risk of each condition relative to the other possible conditions. This tool in concert with subject matter expert opinion could optimize the future use of limited resources thereby producing a more accurate medical risk model, which will be essential to the upcoming exploration class missions.

Michael Pohlen↗

DOE OSTI2025

Latent diffusion can map beam loss to two-dimensional phase-space projections

Beam loss monitors (BLMs) and beam current monitors (BCMs) are ubiquitous at particle accelerators around the world. These simple devices provide noninvasive high-level beam measurements but give no insight into the detailed 6D (𝑥,𝑦,𝑧,𝑝 𝑥 ,𝑝 𝑦 ,𝑝 𝑧 ) beam phase-space distributions or dynamics. We show that generative conditional latent diffusion models can learn intricate patterns to solve the extreme inverse problem of mapping waveforms of tens of BLMs or BCMs along an accelerator to detailed 2D projections of a charged particle beam’s 6D phase-space density. This transformational method can be used at any particle accelerator to transform simple noninvasive devices into detailed beam phase-space diagnostics. We demonstrate this concept via multiparticle simulations of the high-intensity beam in the kilometer-long Los Alamos Neutron Science Center linear proton accelerator.

43 PARTICLE ACCELERATORS↗

NASA NTRS1987

A linearized Euler analysis of unsteady flows in turbomachinery

A method for calculating unsteady flows in cascades is presented. The model, which is based on the linearized unsteady Euler equations, accounts for blade loading shock motion, wake motion, and blade geometry. The mean flow through the cascade is determined by solving the full nonlinear Euler equations. Assuming the unsteadiness in the flow is small, then the Euler equations are linearized about the mean flow to obtain a set of linear variable coefficient equations which describe the small amplitude, harmonic motion of the flow. These equations are discretized on a computational grid via a finite volume operator and solved directly subject to an appropriate set of linearized boundary conditions. The steady flow, which is calculated prior to the unsteady flow, is found via a Newton iteration procedure. An important feature of the analysis is the use of shock fitting to model steady and unsteady shocks. Use of the Euler equations with the unsteady Rankine-Hugoniot shock jump conditions correctly models the generation of steady and unsteady entropy and vorticity at shocks. In particular, the low frequency shock displacement is correctly predicted. Results of this method are presented for a variety of test cases. Predicted unsteady transonic flows in channels are compared to full nonlinear Euler solutions obtained using time-accurate, time-marching methods. The agreement between the two methods is excellent for small to moderate levels of flow unsteadiness. The method is also used to predict unsteady flows in cascades due to blade motion (flutter problem) and incoming disturbances (gust response problem).

Hall, Kenneth C.↗

NASA NTRS1989

Calculation of unsteady flows in turbomachinery using the linearized Euler equations

Hall, Kenneth C.↗

NASA NTRS1991

The role of the sea-surface temperature distribution on numerically simulated cyclogenesis during ERICA

The goal was to quantify the extent to which a sea surface temperature (SST) front can influence cyclogenesis. The approach was to use the Drexel Limited-Area Mesoscale Prediction System (LAMPS) dynamical model to simulate cyclogenesis over various SST fields. Research during the past year focused on the development and testing of a four dimensional data assimilation (FDDA) technique within LAMPS. The technique is a continuous dynamical assimilation where forcing terms are added to the governing model equations to gradually nudge the model solution toward a gridded analysis. Here, the nudging is used as a dynamic initialization tool during a 12 hour preforecast to generate model balanced initial conditions for a subsequent 24 hour numerical prediction. Tests were performed to determine which variables to nudge and how to specify the four dimensional weighting function used to scale the nudging terms. To date, optimal results were obtained by nudging the u and v components of the wind along with the potential temperature. The weighting function ranged from 0 to 1 and varies in time as a quadratic polynomial. It was initialized at 0, reached its maximum at 9 hours into the preforecast, and fell back at 0 to 12 hours. The nudging terms are included in the model equations for all grid points except those within the model predicted oceanic boundary layer. This design attempts to confine changes imposed by the specified SST field to the oceanic boundary layer during the preforecast period.

Lapenta, William M.↗

NASA NTRS1992

Lunar PMAD technology assessment

This report documents an initial set of power conditioning models created to generate 'ballpark' power management and distribution (PMAD) component mass and size estimates. It contains converter, rectifier, inverter, transformer, remote bus isolator (RBI), and remote power controller (RPC) models. These models allow certain studies to be performed; however, additional models are required to assess a full range of PMAD alternatives. The intent is to eventually form a library of PMAD models that will allow system designers to evaluate various power system architectures and distribution techniques quickly and consistently. The models in this report are designed primarily for space exploration initiative (SEI) missions requiring continuous power and supporting manned operations. The mass estimates were developed by identifying the stages in a component and obtaining mass breakdowns for these stages from near term electronic hardware elements. Technology advances were then incorporated to generate hardware masses consistent with the 2000 to 2010 time period. The mass of a complete component is computed by algorithms that calculate the masses of the component stages, control and monitoring, enclosure, and thermal management subsystem.

Metcalf, Kenneth J.↗

NASA NTRS2014

Simulation of VSPT Experimental Cascade Under High and Low Free-Stream Turbulence Conditions

Variable-Speed Power Turbines (VSPT) for rotorcraft applications operate at low Reynolds number and over a wide range in incidence associated with shaft speed change. A comprehensive linear cascade data set obtained includes the effects of Reynolds number, free-stream turbulence and incidence is available and this paper concerns itself with the presentation and numerical simulation of conditions resulting in a selected set of those data. As such, post-dictions of blade pressure loading, total-pressure loss and exit flow angles under conditions of high and low turbulence intensity for a single Reynolds number are presented. Analyses are performed with the three-equation turbulence models of Walters-Leylek and Walters and Cokljat. Transition, loading, total-pressure loss and exit angle variations are presented and comparisons are made with experimental data as available. It is concluded that at the low freestream turbulence conditions the Walters-Cokljat model is better suited to predictions while for high freestream conditions the two models generate similar predications that are generally satisfactory.

low pressure trubine↗

NASA NTRS2015

Simulation of VSPT Experimental Cascade Under High and Low Free-Stream Turbulence Conditions

Variable-Speed Power Turbines (VSPT) for rotorcraft applications operate at low Reynolds number and over a wide range in incidence associated with shaft speed change. A comprehensive linear cascade data set obtained includes the effects of Reynolds number, free-stream turbulence and incidence is available and this paper concerns itself with the presentation and numerical simulation of conditions resulting in a selected set of those data. As such, post-dictions of blade pressure loading, total-pressure loss and exit flow angles under conditions of high and low turbulence intensity for a single Reynolds number are presented. Analyses are performed with the three-equation turbulence models of Walters- Leylek and Walters and Cokljat. Transition, loading, total-pressure loss and exit angle variations are presented and comparisons are made with experimental data as available. It is concluded that at the low freestream turbulence conditions the Walters-Cokljat model is better suited to predictions while for high freestream conditions the two models generate similar predications that are generally satisfactory.

turbulence modeling↗

NASA NTRS2004

Ejecta Generation and Redistribution on 433 Eros: Modeling Ejecta Launch Conditions

The NEAR-Shoemaker mission to asteroid 433 Eros presents an unprecedented opportunity to gain fundamental new knowledge about the processes governing regolith formation and redistribution on small bodies. NEAR-Shoemaker’s high-resolution imaging of the surface of Eros makes the asteroid a valuable and heretofore unparalleled laboratory for the detailed study of impact ejecta reaccretion and regolith redistribution on low-gravity (of order 10 -3 g) objects. Regolith is produced on asteroids by impact cratering, and the existence of regolith on the smallest solar system bodies supports the view that some of the ejecta from impact events on such objects may be retained. Impact craters and retained ejecta on low-gravity objects like Eros represent valuable natural laboratories for evaluating various models of impact cratering processes, since they may present crater structures or ejecta features that either do not form or are hidden on higher-gravity bodies like the Moon. Further, quantifying the extent to which impact processes generate and redistribute regoliths on small body surfaces (excavation depths, retained fraction, turnover timescales, etc.) is pivotal to the issue of how to relate meteoritical samples to their asteroidal parent bodies when surficial processes ( i.e., “space weathering”) may disguise or cover up underlying material and confound the ability of remote sensing techniques to provide reliable mineralogical assays of the parent objects. The rich variety of data on Eros’ regolith properties and distribution returned by NEAR-Shoemaker now require detailed analysis in order to take full advantage of the clues these observations offer for elucidating details of the impact cratering process on small bodies. Complicating simple interpretations of crater and ejecta morphology are dynamical effects on ejecta emplacement resulting from Eros’ irregular shape, rapid (5.27 hr) rotation, and low gravity. Figure 1 shows the very different ejecta deposit morphology that can result if the effects of rotation alone are neglected. Considering the additional complicating factors of Eros’ irregular shape and complex gravitational field, simple calculations of the extent and thickness of ejecta blankets and the spatial distribution of ejecta blocks from basic crater scaling laws or numerical hydrocodes alone do not suffice. In order to fully interpret the suite of NEAR-Shoemaker observations of regolith features across the surface of Eros and to evaluate various impact models for specific craters on the asteroid, detailed dynamical modeling of the deposition of crater ejecta from those craters is required . Here, I describe some modifications and improvements to the dynamical model being used for these studies.

D D Durda↗

DOE OSTI2024

Accelerating Multiphase Simulations With Denoising Diffusion Model Driven Initializations

This study introduces a hybrid fluid simulation approach that integrates generative diffusion models with physics‐based simulations, aiming at reducing the computational costs of flow simulations while still honoring all the physical properties of interest. Pore‐scale simulations enhance our understanding of applications such as assessing hydrogen and storage efficiency in underground reservoirs. Nevertheless, they are computationally expensive and the presence of non‐unique solutions can require multiple simulations within a single geometry. To overcome the computational cost hurdle, we propose a method that couples generative diffusion models and physics‐based simulations. While training the data‐driven model, we simultaneously generate initial conditions and perform physics‐based simulations using these. This integrated approach enables us to receive real‐time feedback on a single compute node equipped with both CPUs and GPUs. By efficiently managing these processes within a single compute node, we can continuously monitor performance and halt training once the model meets the specified criteria. To test our model, we generate realizations in a real Berea sandstone fracture which shows that our technique is up to 4.4 times faster than commonly used flow simulation initializations.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Crash Testing and Simulation of a Cessna 172 Aircraft: Pitch Down Impact Onto Soft Soil

During the summer of 2015, NASA Langley Research Center conducted three full-scale crash tests of Cessna 172 (C-172) aircraft at the NASA Langley Landing and Impact Research (LandIR) Facility. The first test represented a flare-to-stall emergency or hard landing onto a rigid surface. The second test, which is the focus of this paper, represented a controlled-flight-into-terrain (CFIT) with a nose-down pitch attitude of the aircraft, which impacted onto soft soil. The third test, also conducted onto soil, represented a CFIT with a nose-up pitch attitude of the aircraft, which resulted in a tail strike condition. These three crash tests were performed for the purpose of evaluating the performance of Emergency Locator Transmitters (ELTs) and to generate impact test data for model validation. LS-DYNA finite element models were generated to simulate the three test conditions. This paper describes the model development and presents test-analysis comparisons of acceleration and velocity time-histories, as well as a comparison of the time sequence of events for Test 2 onto soft soil.

Fasanella, Edwin L.↗

NASA NTRS1987

Initial investigations into the damping characteristics of wire rope vibration isolators

Passive dampers composed of coils of multi-strand wire rope are investigated. Analytical results range from those produced by complex NASTRAN models to those of a Coulomb damping model with variable friction force. The latter agrees well with experiment. The Coulomb model is also utilized to generate hysteresis loops. Various other models related to early experimental investigations are described. Significant closed-form static solutions for physical properties of single-and multi-strand wire ropes are developed for certain specific geometries and loading conditions. NASTRAN models concentrate on model generation and mode shapes of 2-strand and 7-strand straight wire ropes with interfacial forces.

Cutchins, M. A.↗