Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “neural simulation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Computing Nonlinear Power Spectra Across Dynamical Dark Energy Model Space with Neural ODEs

I show how to compute the nonlinear power spectrum across the entire $w(z)$ dynamical dark energy model space. Using synthetic ΛCDM data, I train a neural ordinary differential equation (ODE) to infer the evolution of the nonlinear matter power spectrum as a function of the background expansion and mean matter density across ∼9 Gyr of cosmic evolution. After training, the model generalises to any dynamical dark energy model parameterised by $w(z)$. With little optimisation, the neural ODE is accurate to within 4% up to $k = 5\, h\, {\mathrm Mpc}^{−1}$. Unlike simulation rescaling methods, neural ODEs naturally extend to summary statistics beyond the power spectrum that are sensitive to the growth history.

cosmology↗
DOE OSTI2024

Emulator of PR‐DNS: Accelerating Dynamical Fields With Neural Operators in Particle‐Resolved Direct Numerical Simulation

Abstract Particle‐resolved direct numerical simulations (PR‐DNS) play an increasing role in investigating aerosol‐cloud‐turbulence interactions at the most fundamental level of processes. However, the high computational cost associated with high resolution simulations poses considerable challenges for large domain or long duration simulation using PR‐DNS. To address these issues, here we present an emulator of the complex physics‐based PR‐DNS developed by use of the data‐driven Fourier Neural Operator (FNO) method. The effectiveness of the method is showcased by presenting turbulence and temperature fields in a two‐dimensional space. The results demonstrate high accuracy at various resolutions and the emulator is two orders of magnitude cheaper in terms of computational demand compared to the physics‐based PR‐DNS model. Furthermore, the FNO emulator exhibits strong generalization capabilities for different initial conditions and ultra‐high‐resolution without the need to retrain models. These findings highlight the potential of the FNO method as a promising tool to simulate complex fluid dynamics problems with high accuracy, computational efficiency, and generalization capabilities, enhancing our understanding of the aerosol‐cloud‐precipitation system.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data

Ionic solvation phenomena in liquids involve intense interactions in the inner solvation shell. For interactions beyond the first shell, the ion–solvent interaction energies result from the sum of many smaller-magnitude contributions that can still include polarization effects. Deep neural network (DNN) methods have recently found wide application in developing efficient molecular models that maintain near-quantum accuracy. In this work, we extend the DeePMD-kit code to produce accurate molecular multipole moments in the bulk and near interfaces. The new method is validated by comparing the DNN moments with those generated by ab initio simulations. The moments are used to compute the electrostatic potential at the center of a molecular-sized hydrophobic cavity in water. The results show that the fields produced by the DNN models are in quantitative agreement with the AIMD-derived values. These efficient methods will open the door to more accurate solvation models for large solutes such as proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Symplectic neural network and its application to charged particle dynamics in electromagnetic fields

Recently, machine learning models have shown many successes in various applications in science and technology. In this work, we focus on the charged particle dynamics, with the development of a class of symplectic neural networks, including a linear version, SympMat, and a nonlinear version, HénonNet. Both are designed to preserve the structure of Hamiltonian systems. We show that they can be used to model relevant Hamiltonian systems of interest in plasma physics and astrophysics, for linear and nonlinear charged particle dynamics, with the potential to bridge multi-scale simulations. These symplectic neural networks are adapted to the applications in plasma simulations and particle-wave interaction with parametric dependence and periodicity, where we have investigated their performance and accuracy. In particular, SympMat is shown to outperform the traditional Boris particle pusher down to the sub-gyroperiod scale in the case of charged particles in uniform magnetic fields. HénonNet successfully predicts the hot electron distribution, which is validated against theoretical results. These results highlight the potential of symplectic neural networks as a trajectory integrator for particle-in-cell simulations or a fast surrogate to replace conventional numerical schemes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Simulated production of OH, HO 2 , CH 2 O, and CO 2 during dilute fuel oxidation can predict 1st-stage ignition delays

Chemical kinetics simulations are used to explore whether detailed measurements of relevant chemical species during the oxidation of very dilute fuels (less than 1 Torr partial pressure) in a high-pressure plug flow reactor (PFR) can predict autoignition propensity. We find that for many fuels the timescale for the onset of spontaneous oxidation in dilute fuel/air mixtures in a simple PFR is similar to the 1st-stage ignition delay time (IDT) at stoichiometric engine-relevant conditions. For those fuels that deviate from this simple trend, the deviation is closely related to the peak rate of production of OH, HO 2 , CH 2 O, and CO 2 formed during oxidation. We use these insights to show that an accurate correlation between simulated profiles of these species in a PFR and 1st-stage IDT can be developed using convolutional neural networks. Our simulations suggest that the accuracy of such a correlation is 10–50%, which is appropriate for rapid fuel screening and may be sufficient for predictive fuel performance modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Event-Driven Neuromorphic Accelerator (Caspian)

Software repository for the Caspian neuromorphic system. In order to deploy small, low-power spiking neural networks at the edge, there needs to be 1) an FPGA design for an event simulator to evaluate these neural networks as well as 2) a high-performance cycle-accurate simulator for training these spiking neural networks. This software package solves these problems by providing the Caspian simulator and the µCaspian hardware design in SystemVerilog.

Mitchell, JohnParker [Microsoft Corporation, Redmo↗
DOE OSTI2026

Approximation of refrigerant thermophysical properties using neural networks to speed up transient thermofluid simulations

Accurate and efficient evaluations of refrigerant thermophysical properties and their partial derivatives are essential for transient simulations of thermofluid systems, where several computations need to be executed at each integration time step. Since the utilization of an Equation of State for retrieving properties based on a pair of independent inputs typically involves numerical iterations in solution procedures, when the input variables differ from the refrigerant state variables employed in dynamic models, a variety of approaches including lookup table interpolation and curve fitting have been developed to explicitly approximate these properties based on the state variables, and consequently eliminate internal iterations. This paper presents an alternative method that exploits derivative-informed neural networks to model refrigerant properties explicitly from inputs of pressure and enthalpy, while ensuring consistent partial derivatives generated by differentiating the neural networks. Computational speed and accuracy of the proposed approach are demonstrated via transient simulations of a discretized heat exchanger model in Modelica, and comparisons against other property evaluation routines. Simulation results indicate that the proposed approach can realize a significant speedup with negligible discrepancies in predicted transients. The method is implemented in an open-source Modelica library.

Ma, Jiacheng↗
DOE OSTI2022

Model calibration of the liquid mercury spallation target using evolutionary neural networks and sparse polynomial expansions

The mercury constitutive model predicting the strain and stress in the target vessel plays a central role in improving the lifetime prediction and future target designs of the mercury targets at the Spallation Neutron Source. We leverage the experiment strain data collected over multiple years to improve the mercury constitutive model through a combination of large scale simulations of the target behavior and the use of machine learning tools for parameter estimation. We present two interdisciplinary approaches for surrogate-based model calibration of expensive simulations using evolutionary neural networks and sparse polynomial expansions. The newly calibrated simulations achieve 7% average improvement on the prediction accuracy and 8% reduction in mean absolute error compared to previously reported reference parameters, with some individual sensors experiencing up to 30% improvement. The calibrated simulations can aid in fatigue analysis to estimate the mercury target lifetime, which reduces abrupt failure and saves tremendous amount of costs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Low-temperature emergent neuromorphic networks with correlated oxide devices

Significance Designing neuromorphic hardware for cryoelectronics is an important area of research as the field of computing paradigms beyond complementary metal-oxide-semiconductor (CMOS) progresses. Superconductivity and metal−insulator transitions are two of the most celebrated emergent, collective properties found in quantum materials such as strongly correlated oxides. Here, we present simulations of artificial neural networks that can be designed by combining superconducting devices (e.g. Josephson junctions) with Mott metal−insulator transition−based tunable resistor devices. Our simulations show that 1) neurons and synapses can be seamlessly created, 2) their functions can be tuned via learning, and 3) controlling disorder by incorporating light ions enables exponential multiplicity of states. The results open up directions for incorporating emergent behavior seen in condensed matter into hardware design for artificial intelligence.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Fuzzy-neural control of an aircraft tracking camera platform

A fuzzy-neural control system simulation was developed for the control of a camera platform used to observe aircraft on final approach to an aircraft carrier. The fuzzy-neural approach to control combines the structure of a fuzzy knowledge base with a supervised neural network's ability to adapt and improve. The performance characteristics of this hybrid system were compared to those of a fuzzy system and a neural network system developed independently to determine if the fusion of these two technologies offers any advantage over the use of one or the other. The results of this study indicate that the fuzzy-neural approach to control offers some advantages over either fuzzy or neural control alone.

Mcgrath, Dennis↗
DOE OSTI2026

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

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

Hadronic Spectroscopy↗
NASA NTRS1987

Optoelectronic analogs of self-programming neural nets - Architecture and methodologies for implementing fast stochastic learning by simulated annealing

Self-organization and learning is a distinctive feature of neural nets and processors that sets them apart from conventional approaches to signal processing. It leads to self-programmability which alleviates the problem of programming complexity in artificial neural nets. In this paper architectures for partitioning an optoelectronic analog of a neural net into distinct layers with prescribed interconnectivity pattern to enable stochastic learning by simulated annealing in the context of a Boltzmann machine are presented. Stochastic learning is of interest because of its relevance to the role of noise in biological neural nets. Practical considerations and methodologies for appreciably accelerating stochastic learning in such a multilayered net are described. These include the use of parallel optical computing of the global energy of the net, the use of fast nonvolatile programmable spatial light modulators to realize fast plasticity, optical generation of random number arrays, and an adaptive noisy thresholding scheme that also makes stochastic learning more biologically plausible. The findings reported predict optoelectronic chips that can be used in the realization of optical learning machines.

Farhat, Nabil H.↗
DOE OSTI2021

Machine learning accelerated turbulence modeling of transient flashing jets

We report modeling the sudden depressurization of superheated liquids through nozzles is a challenge because the pressure drop causes rapid flash boiling of the liquid. The resulting jet usually demonstrates a wide range of structures, including ligaments and droplets, due to both mechanical and thermodynamic effects. As the simulation comprises increasingly numerous phenomena, the computational cost begins to increase. One way to moderate the additional cost is to use machine learning surrogacy for specific elements of the calculation. This study presents a machine learning-assisted computational fluid dynamics approach for simulating the atomization of flashing liquids accounting for distinct stages, from primary atomization to secondary breakup to small droplets using the Σ - Y model coupled with the homogeneous relaxation model. Notably, the models for thermodynamic non-equilibrium (HRM) and Σ - Y are coupled, for the first time, with a deep neural network that simulates the turbulence quantities, which are then used in the prediction of superheated liquid jet atomization. The data-driven component of this method is used for turbulence modeling, avoiding the solution of the two-equation turbulence model typically used for Reynolds-averaged Navier-Stokes simulations for these problems. Both the accuracy and speed of the hybrid approach are evaluated, demonstrating adequate accuracy and at least 25% faster computational fluid dynamics simulations than the traditional approach. This acceleration suggests that perhaps additional components of the calculation could be replaced for even further benefit. Published under an exclusive license by AIP Publishing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1996

Fast Neural Solution Of A Nonlinear Wave Equation

Neural algorithm for simulation of class of nonlinear wave phenomena devised. Numerically solves special one-dimensional case of Korteweg-deVries equation. Intended to be executed rapidly by neural network implemented as charge-coupled-device/charge-injection device, very-large-scale integrated-circuit analog data processor of type described in "CCD/CID Processors Would Offer Greater Precision" (NPO-18972).

Barhen, Jacob↗
NASA NTRS1995

Accelerated Test Methods

Neural network systems were evaluated for use in predicting wear of mechanical systems. Three different neural network software simulation packages were utilized in order to create models of tribological wear tests. Representative simple, medium, and high complexity simulation packages were selected. Pin-on-disk, rub shoe, and four-ball tribological test data was used for training, testing, and verification of the neural network models. Results showed mixed success. The neural networks were able to predict results with some accuracy if the number of input variables was low or the amount of training data was high. Increased neural network complexity resulted in more accurate results, however there was a point of diminishing return. Medium complexity models were the best trade off between accuracy and computing time requirements. A NASA Technical Memorandum and a Society of Tribologists and Lubrication Engineers paper are being published which detail the work.

Jansen, Ralph↗
DOE OSTI2022

Data-driven modeling of coarse mesh turbulence for reactor transient analysis using convolutional recurrent neural networks

Advanced nuclear reactors often exhibit complex thermal-fluid phenomena during transients. To accurately capture such phenomena, a coarse-mesh three-dimensional (3-D) modeling capability is desired for modern nuclear-system code. In the coarse-mesh 3-D modeling of advanced-reactor transients that involve flow and heat transfer, accurately predicting the turbulent viscosity is a challenging task that requires an accurate and computationally efficient model to capture the unresolved fine-scale turbulence. In this work, we propose a data-driven coarse-mesh turbulence model based on local flow features for the transient analysis of thermal mixing and stratification in a sodium-cooled fast reactor. The model has a coarse mesh setup to ensure computational efficiency, while it is trained by fine-mesh computational fluid dynamics (CFD) data to ensure accuracy. A novel neural network architecture, combining a densely connected convolutional network and a long-short-term-memory network, is developed that can efficiently learn from the spatial temporal CFD transient simulation results. The neural network model was trained and optimized on a loss-of flow transient and demonstrated high accuracy in predicting the turbulent viscosity field during the whole transient. The trained model's generalization capability was also investigated on two other transients with different inlet conditions. The study demonstrates the potential of applying the proposed data-driven approach to support the coarse-mesh multi-dimensional modeling of advanced reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Scaling kinetic Monte-Carlo simulations of grain growth with combined convolutional and graph neural networks

Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN has difficulty scaling up to. To alleviate the computational costs and memory footprint of GNN, we suggest a hybrid architecture combining a convolutional neural network (CNN) based bijective autoencoder to compress the spatial dimensions, and a GNN that evolves the microstructure in the latent space of reduced spatial sizes. Our results demonstrate that the new design significantly reduces computational costs with using fewer message passing layer (from 12 down to 3) compared with GNN alone. The reduction in computational cost becomes more pronounced as the spatial size increases, indicating strong computational scalability. For the largest mesh evaluated (160 3 ), our method reduces memory usage and runtime in inference by 117× and 115×, respectively, compared with GNN-only baseline. More importantly, it shows higher accuracy and stronger spatiotemporal capability than the GNN-only baseline, especially in long-term testing. Such combination of scalability and accuracy is essential for simulating realistic material microstructures over extended time scales. The improvements can be attributed to the bijective autoencoder’s ability to compress information losslessly from spatial domain into a high dimensional feature space, thereby producing more expressive latent features for the GNN to learn from, while also contributing its own spatiotemporal modeling capability. Training data are generated from stochastic grain growth simulations, providing realistic variability for learning robust microstructure evolution. Comprehensive system validation confirms that the model is accurate, robust, and scalable.

36 MATERIALS SCIENCE↗