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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.

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At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Neural network denoising of x-ray images from high-energy-density experiments

Noise is a consistent problem for x-ray transmission images of High-Energy-Density (HED) experiments because it can significantly affect the accuracy of inferring quantitative physical properties from these images. We consider experiments that use x-ray area backlighting to image a thin layer of opaque material within a physics package to observe its hydrodynamic evolution. The spatial variance of the x-ray transmission across the system due to changing opacity serves as an analog for measuring density in this evolving layer. The noise in these images adds nonphysical variations in measured intensity, which can significantly reduce the accuracy of our inferred densities, particularly at small spatial scales. Denoising these images is thus necessary to improve our quantitative analysis, but any denoising method also affects the underlying information in the image. In this paper, we present a method for denoising HED x-ray images via a deep convolutional neural network model with a modified DenseNet architecture. In our denoising framework, we estimate the noise present in the real (data) images of interest and apply the inferred noise distribution to a set of natural images. These synthetic noisy images are then used to train a neural network model to recognize and remove noise of that character. We show that our trained denoiser network significantly reduces the noise in our experimental images while retaining important physical features.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

A Fully Explicit Integrator for Modeling Astrophysical Reactive Flows

Simulating complex astrophysical reacting flows is computationally expensive—reactions are stiff and typically require implicit integration methods. The reaction update is often the most expensive part of a simulation, which motivates the exploration of more economical methods. In this research note, we investigate how the explicit Runge–Kutta–Chebyshev (RKC) method performs compared to an implicit method when applied to astrophysical reactive flows. These integrators are applied to simulations of X-ray bursts arising from unstable thermonuclear burning of accreted fuel on the surface of neutron stars. We show that the RKC method performs with similar accuracy to our traditional implicit integrator, but is more computationally efficient when run on CPUs.

GPU computing↗
DOE OSTI2022

Quantifying transport and electrocatalytic reaction processes in a gastight rotating cylinder electrode reactor via integration of Computational Fluid Dynamics modeling and experiments

Understanding the complexity of the multiple processes of mass, momentum, charge, and heat transport, and how these affect reaction kinetics at the electrode/electrolyte interface is one of the major challenges in the field of energy and catalysis. The rapid and rational scale-up of electrocatalytic systems to industrial scales require a detailed understanding of nonlinear transport-reaction processes, accessible only through the building of multi-physics models that capture with high fidelity the complexity of real-world devices. The gastight rotating cylinder electrode (RCE) reactor is a promising lab-scale tool that can decouple transport from intrinsic kinetics to generate data for first-principle models useful in the design of industrial, electrochemical reactors. Computational Fluid Dynamics (CFD) studies have previously been used to investigate the bulk flow in RCE reactors for simple corrosion and electroplating processes. However, the quantification of changes in local concentration within the viscous layer where catalysis takes place requires capturing the correct flow conditions inside the hydrodynamic boundary layer near the surface of the electrode. Further, this requires simulations with spatial resolution in the nm and μm scale and temporal resolutions between ms and s scales that are similar to the timescales for reactions on the electrode surface. In this study, experimental electrocatalysis is combined with CFD modeling to elucidate and parameterize the hydrodynamics in a gastight RCE reactor. CFD simulations of the electrochemical ferricyanide reduction reaction under mass transport limited conditions are used to evaluate the validity of the CFD model parameters by comparing calculated dimensionless mass transport descriptors to dimensionless correlations obtained experimentally. Justifications for assumptions and details of the simulation methods used in this study are presented to provide a detailed understanding of the effect that each model parameter has on the ability to accurately simulate electrocatalysis in RCE systems. The simulation methodology reported here is a first step towards the development of multi-scale models for the study of transport dependent electrocatalytic processes, such as the electrochemical transformation of CO 2 to fuels and chemicals.

42 ENGINEERING↗
DOE OSTI2020

Revisiting Bayesian constraints on the transport coefficients of QCD

Multistage models based on relativistic viscous hydrodynamics have proven successful in describing hadron measurements from relativistic nuclear collisions. These measurements are sensitive to the shear and the bulk viscosities of QCD and provide a unique opportunity to constrain these transport coefficients. Bayesian analyses can be used to obtain systematic constraints on the viscosities of QCD, through methodical model-to-data comparisons. In this manuscript, we discuss recent developments in Bayesian analyses of heavy ion collision data. Furthermore, we highlight the essential role of closure tests in validating a Bayesian analysis before comparison with measurements. We discuss the role of the emulator that is used as proxy for the multistage theoretical model. We use an ongoing Bayesian analysis of soft hadron measurements by the JETSCAPE Collaboration as context for the discussion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Modeling Assessment of Tidal Energy Extraction in the Western Passage

Numerical models have been widely used for the resource characterization and assessment of tidal instream energy. The accurate assessment of tidal stream energy resources at a feasibility or project-design scale requires detailed hydrodynamic model simulations or high-quality field measurements. This study applied a three-dimensional finite-volume community ocean model (FVCOM) to simulate the tidal hydrodynamics in the Passamaquoddy–Cobscook Bay archipelago, with a focus on the Western Passage, to assist tidal energy resource assessment. IEC Technical specifications were considered in the model configurations and simulations. The model was calibrated and validated with field measurements. Energy fluxes and power densities along selected cross sections were calculated to evaluate the feasibility of the tidal energy development at several hotspots that feature strong currents. When taking both the high current speed and water depth into account, the model results showed that the Western Passage has great potential for the deployment of tidal energy farms. The maximum extractable power in the Western Passage was estimated using the Garrett and Cummins method. Different criteria and methods recommended by the IEC for resource characterization were evaluated and discussed using a sensitivity analysis of energy extraction for a hypothetical tidal turbine farm in the Western Passage.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Testing and Expertise for Marine Energy (TEAMER) Program Support - Numerical Modeling Assistance for iProTech's "PIP" WEC Device: Cooperative Research and Development Final Report, CRADA Number CRD-20-17303

Develop a time-domain, 3 degree of freedom numerical model of IProTech's PIP device, including power take-off (PTO), that can be used to develop control algorithms and establish a baseline technology performance level (TPL). This is important to IProTech because having a good numerical model allows IProTech to optimize design and control algorithms on an ongoing basis. A baseline TPL enables the PIP technology to be benchmarked against other wave energy converter (WEC) concepts, providing (i) justification (or not) for investment in wave tank model testing, (ii) identifying optimum design parameters and control algorithms for the test model, (iii) specifying test conditions and (iv) interpreting wave tank test results. An accredited WEC-Sim model of the PIP device is an essential tool for further development of the technology. 1) The development of numerical models of the PIP concept will enable iProTech to evaluate the potential performance of this concept, and to investigate how sensitive the device is to different variables within the system (e.g. hydraulic components, geometry dimensions, etc.) 2) The numerical models were developed with WEC-Sim and PTO-Sim -- the de-facto industry standard WEC numerical modeling tools. A detailed model of the system's hydraulic circuit was developed with PTO-Sim. However, WEC-Sim is based on linear hydrodynamics and has several limitations; validation against high fidelity models/physical scale models would help to build confidence in the results.

16 TIDAL AND WAVE POWER↗
DOE OSTI2026

A cell-centered AMR-ALE framework for 3D multi-material hydrodynamics. Part II: linesweep ALE rezoning for nonconformal block-structured AMR meshes

The simulation of flows presenting contact discontinuities, vorticity, and large variations in spatial scales can be performed in a framework coupling Arbitrary Lagrangian Eulerian (ALE) algorithms and Adaptive Mesh Refinement (AMR). This coupling requires adaptation of ALE rezoning techniques to meshes containing nonconformal nodes arising from both the AMR topology and the junction of mesh blocks. Here, in this paper, we present an ALE rezoning strategy that is compatible with such meshes, and that can also act as a disentangling algorithm. Emphasis is put on an algorithm that respects intrinsic Lagrangian mesh properties in order to preserve accuracy around discontinuities. To that end, we adapt the weighted linesweep algorithm to nonconformal block-structured AMR meshes. Then, we present control parameters introduced in the method for it to be applicable in practical situations. Notably, the method is coupled to a specific metric optimization in order to palliate some shortcomings of the linesweep method. Finally, numerical test cases are presented that feature the capabilities of the ALE-AMR algorithm for flows that present discontinuities, vorticity, and a variety of scales. Notably, we show that our ALE-AMR algorithm gives results at least similar to Euler-AMR, but provides better accuracy in cases where discontinuities are involved, thanks to a method that respects the Lagrangian features of the mesh. Additionally, it enables Euler-AMR-like computations on domains with temporally varying domain boundaries.

Adaptive mesh refinement↗
DOE OSTI2026

Second-order wave excitation forces in WEC-Sim/MOST: Implementation, experimental validation, and code-to-code comparison

Accurate prediction of second-order hydrodynamic loads is essential for floating bodies, including floating offshore wind turbines, wave energy converters, and hybrid wind–wave platforms. These nonlinear effects, arising from both sum- and difference-frequency forcing, are critical for capturing key response characteristics but remain challenging to model efficiently. In this work, we extend the open-source Wave Energy Converter Simulator / MATLAB for Offshore Simulation Tool by implementing second-order wave excitation forces, supporting both the full Quadratic Transfer Function formulation and the Newman approximation. The full Quadratic Transfer Function method is used for all code-to-code comparisons and experimental validation, while the Newman approximation is provided as a computationally lighter alternative. To benchmark the new capability, we perform a code-to-code comparison with OpenFAST and OrcaFlex. We then validate the enhanced model using wave-tank measurements of a 1:96 scale DeepCwind semi-submersible, showing that second-order effects are required to reproduce platform motions. The implementation employs a computationally efficient pre-computation strategy for second-order wave excitation forces, reducing simulation cost while maintaining engineering accuracy. Overall, this work advances the tool as an open-source and versatile tool for modelling floating offshore renewable-energy systems requiring second-order hydrodynamic fidelity.

17 WIND ENERGY↗
DOE OSTI2020

Development of uncertainty-aware equation-of-state models: Application to copper

Sophisticated hydrodynamic codes are commonly used to understand and predict events relevant to natural and applied sciences. The degree to which these simulations reflect reality, however, is dependent on how well we understand the materials and underlying physics involved. These research communities need material models that communicate the uncertainty in the physical properties, which at their basest form comes from the uncertainty in the underlying experimental measurements. Additionally, we have constructed a new framework for using both experimental measurements and the associated experimental uncertainties to build equation-of-state models that reflect not only current best measurements but also the accuracy of those measurements. This method had been used to construct an ensemble of equation-of-state models for copper that communicates the experimental uncertainties in the data through the equation-of-state model, which is available for application in any simulation metric of interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Novel fabrication tools for dynamic compression targets with engineered voids using photolithography methods

Mesoscale imperfections, such as pores and voids, can strongly modify the properties and the mechanical response of materials under extreme conditions. Tracking the material response and microstructure evolution during void collapse is crucial for understanding its performance. In particular, imperfections in the ablator materials, such as voids, can limit the efficiency of the fusion reaction and ultimately hinder ignition. To characterize how voids influence the response of materials during dynamic loading and seed hydrodynamic instabilities, we, in this paper, have developed a tailored fabrication procedure for designer targets with voids at specific locations. Our procedure uses SU-8 as a proxy for the ablator materials and hollow silica microspheres as a proxy for voids and pores. By using photolithography to design the targets’ geometry, we demonstrate precise and highly reproducible placement of a single void within the sample, which is key for a detailed understanding of its behavior under shock compression. This fabrication technique will benefit high-repetition rate experiments at x-ray and laser facilities. Insight from shock compression experiments will provide benchmarks for the next generation of microphysics modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A review on charged-particle transport modeling for laser direct-drive fusion

Inertial confinement fusion (ICF) with the laser-indirect-drive scheme has recently made a tremendous breakthrough recently after decades of intensive research effort. Taking this success to the next step, the ICF community is coming to a general consensus that laser direct-drive (LDD) fusion might be the viable way for enabling inertial fusion energy (IFE) and high-gain targets for other applications. Designing and understanding LDD fusion targets heavily rely on radiation-hydrodynamic code simulations, in which charged-particle transport plays an essential role in modeling laser-target energy coupling and bootstrap heating of fusion-produced α-particles. To better simulate charged-particle transport in LDD targets, over the past four decades the plasma physics community has advanced transport calculations from simple plasma physics models to sophisticated computations based on first-principles methods. In this review, we give an overview of the current status of charged-particle transport modeling for LDD fusion, including what challenges we still face and the possible paths moving forward to advance transport modeling for ICF simulations. We hope this review will provide a summary of exciting challenges to stimulate young minds to enter the field, facilitate further progress in understanding warm-dense matter physics, and ultimately bridge toward the success of reliable LDD fusion designs for IFE and other high-gain ICF applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Extended experimental inferential structure determination method in determining the structural ensembles of disordered protein states

Proteins with intrinsic or unfolded state disorder comprise a new frontier in structural biology, requiring the characterization of diverse and dynamic structural ensembles. Here we introduce a comprehensive Bayesian framework, the Extended Experimental Inferential Structure Determination (X-EISD) method, which calculates the maximum log-likelihood of a disordered protein ensemble. X-EISD accounts for the uncertainties of a range of experimental data and back-calculation models from structures, including NMR chemical shifts, J-couplings, Nuclear Overhauser Effects (NOEs), paramagnetic relaxation enhancements (PREs), residual dipolar couplings (RDCs), hydrodynamic radii (R h ), single molecule fluorescence Förster resonance energy transfer (smFRET) and small angle X-ray scattering (SAXS). We apply X-EISD to the joint optimization against experimental data for the unfolded drkN SH3 domain and find that combining a local data type, such as chemical shifts or J-couplings, paired with long-ranged restraints such as NOEs, PREs or smFRET, yields structural ensembles in good agreement with all other data types if combined with representative IDP conformers.

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

Fusion burn-propagation simulations using the collisional and radiative particle-in-cell code TRIFORCE

The ability to accurately model burn propagation in inertial confinement fusion plasmas is crucial for advancing fusion energy research. This work presents enhancements to the triforce hybrid fluid-kinetic multiphysics code, focusing on its kinetic half, which employs the particle-in-cell (PIC) method with Monte Carlo collisions (MCC). We use a moment-preserving collision model that mitigates numerical noise, particularly in spherical geometries where particle weights vary significantly. Additionally, we refine the treatment of inverse bremsstrahlung to account for electron–ion collision frequency reductions in degenerate plasmas and incorporate a blackbody radiation source to enable realistic photon injection. These improvements enable the simulation of 1-dimensional (1D) spherical fusion burn propagation in deuterium–tritium plasmas. Benchmark comparisons with the hydra radiation-hydrodynamics code confirm that triforce accurately captures the dynamics of hot-spot expansion and burn propagation, demonstrating sensitivity to ignition thresholds consistent with theoretical models. Findings show the ignition cliff to be less steep in our work compared to radiation-hydrodynamic modeling. These results highlight the role of kinetic effects in fusion ignition physics and underscore the necessity of hybrid fluid-kinetic models for advancing predictive capabilities in high-energy-density plasma systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Harnessing complexity: Nonlinear optical phenomena in L-shapes, nanocrescents, and split-ring resonators

Here, we conduct systematic studies of the optical characteristics of plasmonic nanoparticles that exhibit C 2v symmetry. In particular, we analyze three distinct geometric configurations: an L-type shape, a crescent, and a split-ring resonator shaped like the Greek letter π. Optical properties are examined using the finite-difference time-domain method. It is demonstrated that all three shapes exhibit two prominent plasmon modes associated with the two axes of symmetry. This is in addition to a wide range of resonances observed at high frequencies corresponding to quadrupole modes and peaks due to sharp corners. Next, to facilitate nonlinear analysis, we employ a semiclassical hydrodynamic model, where the electron pressure term is explicitly accounted for. This model goes beyond the standard Drude description and enables capturing nonlocal and nonlinear effects. Employing this model enables us to rigorously examine the second-order angular resolved nonlinear optical response of these nanoparticles in each of the three configurations. Two pumping regimes are considered, namely, continuous wave (CW) and pulsed excitations. For CW pumping, we explore the properties of the second harmonic generation (SHG). Polarization and angle-resolved SHG spectra are obtained, revealing strong dependence on the nanoparticle geometry and incident wave polarization. The C 2v symmetry is shown to play a key role in determining the polarization states and selection rules of the SHG signal. For pulsed excitations, we discuss the phenomenon of broadband terahertz (THz) generation induced by the difference-frequency generation . It is shown that the THz emission spectra exhibit unique features attributed to the plasmonic resonances and symmetry of the nanoparticles. The polarization of the generated THz waves is also examined, revealing interesting patterns tied to the nanoparticle geometry. To gain deeper insight, we propose an analytical theory that agrees very well with the numerical experiments. The theory shows that the physical origin of the THz radiation is the mixing of various frequency components of the fundamental pulse by the second-order nonlinear susceptibility. An expression for the far-field THz intensity is derived in terms of the incident pulse parameters and the nonlinear response tensor of the nanoparticle. The results presented in this work offer new insights into the linear and nonlinear optical properties of nanoparticles with C 2v symmetry. The demonstrated strong SHG response and efficient broadband THz generation hold great promise for applications in nonlinear spectroscopy, nanophotonics, and optoelectronics. The proposed theoretical framework also provides a valuable tool for understanding and predicting the nonlinear behavior of other related nanostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Stokesian dynamics with odd viscosity

Stokesian dynamics is a well-established computational method for simulating dynamics of many particles suspended in a conventional passive fluid medium. Active fluids composed of self-driving particles with broken time-reversal symmetry permit the emergence of a so-called odd viscosity. Here, in this work, we extended the conventional Stokesian dynamics formalism to incorporate the additional hydrodynamic effects due to odd viscosity, which enables simulating collective behavior of many particles suspended in an active fluid medium with both even viscosity and odd viscosity.

42 ENGINEERING↗
DOE OSTI2020

Expansion dynamics and chemistry evolution in ultrafast laser filament produced plasmas

Laser ablation in conjunction with optical emission spectroscopy is a potential non-contact, standoff detection method for all elements in the periodic table and certain isotopes such as radionuclides. Currently, significant development efforts are on-going to use ultrafast laser filaments for remote sensing. The application of filaments is of particular interest in extending the range of stand-off capability associated with elemental and isotopic detection via laser-induced breakdown spectroscopy. In this study, we characterize the expansion dynamics and chemical evolution of filament-produced uranium (U) plasmas. Laser filaments are generated in the laboratory by loosely focusing 35 femtosecond (fs), 6 milli Joule (mJ) pulses in air. Two-dimensional spectrally-integrated and time-resolved imaging was performed to study hydrodynamics and evolution of U atomic and UO molecular emission in filament-produced U plasmas. Our results highlight that filament ablation of U plasmas gives a cylindrical plasma plume morphology with an appearance of plume splitting into slow and fast moving components at later times of its evolution. Emission from the slow-moving region shows no distinct spectral features (i.e. broadband-like) and is contributed in part by nanoparticles generated during ultrafast laser ablation. Additionally, we find U atoms and U oxide molecules (i.e. UO, UxOy) co-exist in the filament produced plasma, which can be attributed to the generation of low-temperature plasma conditions during filament ablation

(140.3440) Laser-induced breakdown, (280.5395) Pla↗
DOE OSTI2020

Shell-model studies of the astrophysical r p -process reactions S 34 ( p , γ ) Cl 35 and Cl 34 g , m ( p , γ ) Ar 35

Background: Dust grains condensed in the outflows of presolar classical novae should have been present in the protosolar nebula. Candidates for such presolar nova grains have been found in primitive meteorites and can in principle be identified by their isotopic ratios, but the ratios predicted by state-of-the-art one-dimensional hydrodynamic models are uncertain due to nuclear-physics uncertainties. Purpose: To theoretically calculate the thermonuclear rates and uncertainties of the S 34 ( p , γ ) Cl 35 and Cl 34 g , m ( p , γ ) Ar 35 reactions and investigate their impacts on the predicted 34 S/ 32 S isotopic ratio for presolar nova grains. Method: A shell-model approach in a (0 +1 ) ℏ ω model space was used to calculate the properties of resonances in the 34 S(p ,γ ) 35 Cl and 34 g,m Cl (p ,γ ) 35 Ar reactions and their thermonuclear rates. Uncertainties were estimated using a Monte Carlo method. The implications of these rates and their uncertainties on sulfur isotopic nova yields were investigated using a postprocessing nucleosynthesis code. The rates for transitions from the ground state of 34 Cl as well as from the isomeric first excited state of 34 Cl were explicitly calculated. Results: At energies in the resonance region near the proton-emission threshold, many negative-parity states appear. Energies, spectroscopic factors, and proton-decay widths are reported. The resulting thermonuclear rates are compared with previous determinations. Conclusions: The shell-model calculations alone are sufficient to constrain the variation of the 34 S/ 32 S ratios to within about 30%. Uncertainties associated with other reactions must also be considered, but in general we find that the 34 S/ 32 S ratios are not a robust diagnostic to clearly identify presolar grains made from nova ejecta.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Revealing the Galaxy–Halo Connection through Machine Learning

Abstract Understanding the connections between galaxy stellar mass, star formation rate, and dark matter halo mass represents a key goal of the theory of galaxy formation. Cosmological simulations that include hydrodynamics, physical treatments of star formation, feedback from supernovae, and the radiative transfer of ionizing photons can capture the processes relevant for establishing these connections. The complexity of these physics can prove difficult to disentangle and obfuscate how mass-dependent trends in the galaxy population originate. Here, we train a machine-learning method called Explainable Boosting Machines (EBMs) to infer how the stellar mass and star formation rate of nearly 6 million galaxies simulated by the Cosmic Reionization on Computers project depend on the physical properties of halo mass, the peak circular velocity of the galaxy during its formation history v peak , cosmic environment, and redshift. The resulting EBM models reveal the relative importance of these properties in setting galaxy stellar mass and star formation rate, with v peak providing the most dominant contribution. Environmental properties provide substantial improvements for modeling the stellar mass and star formation rate in only ≲10% of the simulated galaxies. We also provide alternative formulations of EBM models that enable low-resolution simulations, which cannot track the interior structure of dark matter halos, to predict the stellar mass and star formation rate of galaxies computed by high-resolution simulations with detailed baryonic physics.

79 ASTRONOMY AND ASTROPHYSICS↗