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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Numerical benchmark of transient pressure-driven metallic melt flows

Fluid dynamics simulations of melting and crater formation at the surface of a copper cathode exposed to high plasma heat fluxes and pressure gradients are presented. The predicted deformations of the free surface and the temperature evolution inside the metal are benchmarked against previously published simulations. Despite the physical model being entirely hydrodynamic and ignoring a variety of plasma–surface interaction processes, the results are also shown to be remarkably consistent with the predictions of more advanced models, as well as experimental data. This provides a sound basis for future applications of similar models to studies of transient surface melting and droplet ejection from metallic plasma-facing components after disruptions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Polar state reversal in active fluids

Spontaneous emergence of correlated states such as flocks and vortices is a prime example of collective dynamics and self-organization observed in active matter. In geometrically confined systems, the formation of globally correlated polar states proceeds through the emergence of a macroscopic steadily rotating vortex, which spontaneously selects a clockwise or counterclockwise global chiral state. In this work, we reveal that a global vortex formed by colloidal rollers exhibits polar state reversal and that a subsequent formation of the collective states upon re-energizing the system is not random. We combine experiments and simulations to elucidate how a combination of hydrodynamic and electrostatic interactions leads to hidden asymmetries in the local particle positional order, reflecting the chiral state of the system. These asymmetries can be exploited to systematically command subsequent polar states of active liquids through temporal control of the activity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A multi-MeV alpha particle source via proton-boron fusion driven by a 10-GW tabletop laser

Nuclear fusion between protons and boron-11 nuclei has undergone a revival of interest thanks to the rapid progress in pulsed laser technology. Potential applications of such reaction range from controlled nuclear fusion to radiobiology and cancer therapy. A laser-driven fusion approach consists in the interaction of high-power, high-intensity pulses with H- and B-rich targets. We report on an experiment exploiting proton-boron fusion in CN-BN targets to obtain high-energy alpha particle beams (up to 5 MeV) using a very compact approach and a tabletop laser system with a peak power of ~10 GW, which can operate at high-repetition rate (up to 1 kHz). The secondary resonance in the cross section of proton-boron fusion (~150 keV in the center-of-mass frame) is exploited using a laser-based approach. The generated alpha particles are characterized in terms of energy, flux, and angular distribution using solid-state nuclear-track detectors, demonstrating a flux of ~10 5 particles per second at 10 Hz, and ~10 6 per second at 1 kHz. Hydrodynamic and particle-in-cell numerical simulations support our experimental findings. Potential impact of our approach on future spread of ultra-compact, multi-MeV alpha particle sources driven by moderate intensity (10 16 -10 17 W/cm 2 ) laser pulses is anticipated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Pulsed power to control growth of silicon nanoparticles in low temperature flowing plasmas

Low-temperature plasmas have seen increasing use for synthesizing high-quality, mono-disperse nanoparticles (NPs). Recent work has highlighted that an important process in NP growth in plasmas is particle trapping—small, negatively charged nanoparticles become trapped by the positive electrostatic potential in the plasma, even if only momentarily charged. In this article, results are discussed from a computational investigation into how pulsing the power applied to an inductively coupled plasma (ICP) reactor may be used for controlling the size of NPs synthesized in the plasma. The model system is an ICP at 1 Torr to grow silicon NPs from an Ar/SiH 4 gas mixture. This system was simulated using a two-dimensional plasma hydrodynamics model coupled to a three-dimensional kinetic NP growth and trajectory tracking model. The effects of pulse frequency and pulse duty cycle are discussed. We identified separate regimes of pulsing where particles become trapped for one pulsed cycle, a few cycles, and many cycles—each having noticeable effects on particle size distributions. For the same average power, pulsing can produce a stronger trapping potential for particles when compared to continuous wave power, potentially increasing particle mono-dispersity. Pulsing may also offer a larger degree of control over particle size for the same average power. Experimental confirmation of predicted trends is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The hTERT core promoter forms three parallel G-quadruplexes

The structure of the 68 nt sequence with G-quadruplex forming potential within the hTERT promoter is disputed. One model features a structure with three stacked parallel G-quadruplex units, while another features an unusual duplex hairpin structure adjoined to two stacked parallel and antiparallel quadruplexes. We report here the results of an integrated structural biology study designed to distinguish between these possibilities. As part of our study, we designed a sequence with an optimized hairpin structure and show that its biophysical and biochemical properties are inconsistent with the structure formed by the hTERT wild-type sequence. By using circular dichroism, thermal denaturation, nuclear magnetic resonance spectroscopy, analytical ultracentrifugation, small-angle X-ray scattering, molecular dynamics simulations and a DNase I cleavage assay we found that the wild type hTERT core promoter folds into a stacked, three-parallel G-quadruplex structure. The hairpin structure is inconsistent with all of our experimental data obtained with the wild-type sequence. All-atom models for both structures were constructed using molecular dynamics simulations. These models accurately predicted the experimental hydrodynamic properties measured for each structure. We found with certainty that the wild-type hTERT promoter sequence does not form a hairpin structure in solution, but rather folds into a compact stacked three-G-quadruplex conformation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Gamma-ray signatures of 𝑟-process radioactivity from the collapse of magnetized white dwarfs

We predict the gamma-ray line emission from 𝑟-process nuclei synthesized in the ejecta of the accretion-induced collapse (AIC) of a magnetized, rapidly rotating white dwarf. Using ejecta from a two-dimensional general-relativistic neutrino-magnetohydrodynamic simulation, further evolved with a radiation-hydrodynamics code coupled to an in situ nuclear reaction network, we construct angle-dependent gamma-ray spectra in the 0.01–10 MeV band via composition-dependent ray tracing through the ejecta. The emission between ∼1 and 10 d is dominated by 132 I (𝑡 1/2 = 2.3 h), continuously replenished by the decay of its parent 132 Te (𝑡 1/2 = 3.2 d), with additional contributions from 131 I, 133 Xe, and 132 Te . At 𝑡 ≳ 20 d, 56 Co (from 56 Ni decay) becomes the primary emitter. The simultaneous presence of 𝑟 process and iron-peak gamma-ray lines is distinctive of AIC ejecta and absent in binary neutron star mergers, where iron-peak nuclei are generally not synthesized. Comparing with the 3⁢𝜎 continuum sensitivities of planned MeV gamma-ray telescopes (COSI, AMEGO-X, e-ASTROGAM, GRAMS, GammaTPC), we find the brightest 𝑟-process lines detectable to ∼10 Mpc by GammaTPC and GRAMS, with the signal approaching their sensitivity threshold at 30 Mpc. As a result, the 𝑟-process spectral features survive time integration over ∼30 d exposures, demonstrating robustness against the long observation times required by gamma-ray detectors.

Nuclear reactions↗
DOE OSTI2023

Scissors modes of a Bose-Einstein condensate in a synthetic magnetic field

We study the scissors modes of a harmonically trapped Bose-Einstein condensate under the influence of a synthetic magnetic field, which induces rigid rotational components in the velocity field. Our investigation reveals that the scissors mode, excited in the plane perpendicular to the synthetic magnetic field, becomes coupled to the quadrupole modes of the condensate, giving rise to typical beating effects. Moreover, the two scissors modes excited in the vertical planes are also coupled together by the synthetic magnetic field, resulting in intriguing gyroscope dynamics. Our analytical results, derived from a spinor hydrodynamic theory, are further validated through numerical simulations of the three-dimensional Gross-Pitaevskii equation. These predictions for the condensates subject to a synthetic magnetic field are experimentally accessible with current cold-atom setups and hold promise for potential applications in quantum sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Λ spin polarization in event-by-event relativistic heavy-ion collisions

We present a systematic study of $\Lambda$ hyperon's polarization observables using event-by-event (3+1)D relativistic hydrodynamics. The effects of initial hot spot size and QGP's specific shear viscosity on the polarization observables are quantified. We examine the effects of the two formulations of the thermal shear tensor on the polarization observables using the same hydrodynamic background. With event-by-event simulations, we make predictions for the Fourier coefficients of $\Lambda$'s longitudinal polarization $P^z$ with respect to the event planes of different orders of anisotropic flow. We propose new correlations among the Fourier coefficients of $P^z$ and charged hadron anisotropic flow coefficients to further test the mapping from fluid velocity gradients to hyperon's polarization. Finally, we present a system size scan with Au+Au, Ru+Ru, and O+O collisions at $\sqrt{s_\mathrm{NN}} = 200$ GeV to study the system size dependence of polarization observables at the Relativistic Heavy-ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

CHEQUP v0.1

CHEQUP (Castro-based Hofi Expansion with QUasineutral Plasma) is a simulation code for modeling the formation of hydrodynamic optical-field-ionized (HOFI) plasma channels, which are used as waveguides in laser-plasma acceleration experiments. This includes experiments performed at LBNL's BELLA facility as well as other laser facilities across the world. CHEQUP extends the open-source Castro hydrodynamics framework with physics modules tailored for modeling HOFI plasma channels -- including multi-species ionization and three-body recombination for mixtures of hydrogen, nitrogen, helium, and argon ; a two-temperature model tracking electron and heavy-species temperatures separately ; and coupling with other codes of the BLAST ecosystem (https://blast.lbl.gov/) such as WarpX, via the openPMD standard. CHEQUP inherits from Castro the ability to run on modern GPU architectures (NVIDIA CUDA, AMD HIP) and supports adaptive mesh refinement (AMR) for efficient multi-scale resolution. Compared to existing tools, CHEQUP would be, to our knowledge, the first open-source code implementing the full HOFI channel formation physics, and the first implementation capable of running on GPUs. This enables significantly faster, large-scale parameter scans critical for the design of next-generation LPA-based accelerators and light sources.

Lehe, Remi [Lawrence Berkeley National Laboratory ↗
DOE OSTI2024

High-Fidelity Numerical Wave Tank Verification & Validation Study: Wave Generation Through Paddle Motion: Preprint

This paper presents a numerical benchmark study of wave propagation due to a paddle motion using different high-fidelity numerical models, which are capable of replicating the nearly actual physical wave tank testing. A full time series of the measured wave generation paddle motion which was used to generate wave propagation in the physical wave tank will be utilized in each of the models contributed by IEA OES Task 10's participants, which includes both computational fluid dynamics (CFD) and smooth hydrodynamic particle (SPH). The high-fidelity simulations of the physical wave testcase will allow for the evaluation of the initial transient effects from wave ramp-up and its evolution in the wave tank over time for two representative regular waves with varying levels of nonlinearity. A couple of interesting metrics like the predicted wave surface elevation at select wave probes, wave period, and phase-shift in time will be assessed to evaluate the relative accuracy of numerical models versus experimental data within specified time intervals. These models will serve as a guide for modelers in the wave energy community and provide a base case to allow further and more detailed numerical modeling of the fixed Kramer Sphere Cases under wave excitation force wave tank testing.

HYDRO ENERGY,TIDAL AND WAVE POWER↗
DOE OSTI2024

Understanding spatial and temporal drivers of variation in tree hydraulic processes and their consequences for climate feedbacks (Final Technical Report)

This is the final technical report from the first phase of a project that changed institutions. The grant was titled “Understanding spatial and temporal drivers of variation in tree hydraulic processes and their consequences for climate feedbacks.” The overall objectives of this project were to (1) provide model‐compatible datasets of key plant hydraulic traits and status for model evaluation, parameterization and validation and (2) use these data to pinpoint ecosystem responses to a changing hydroclimate by addressing both long‐term climatic drying and episodic extreme droughts. We planned to address the objectives with three research activities to quantify plant responses to chronic water stress and episodic drought: (1) generate high frequency observations of soil and plant hydraulic data across different landscape positions at multiple sites, (2) quantify plant hydraulic trait plasticity in response to experimental soil moisture reduction in situ in two central hardwood forests, and (3) simulate the carbon consequences of incorporating plant hydrodynamics and plant acclimation to water stress in the DOE‐sponsored plant hydrodynamics model FATES‐HYDRO. As of the transfer of this project to another institution, we had made substantial progress on activities 1 and 2, and started activity 3.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Impacts of Multidimensional Progenitor Perturbations on Core-collapse Supernova Explosions

Numerical studies of core-collapse supernovae have demonstrated the importance of nonradial motions in precollapse progenitors on the explosion outcome. We use the Chimera neutrino radiation hydrodynamics code running seven two-dimensional simulations of 15 M⊙ progenitors with different progenitor structures introduced by different one- and two-dimensional precollapse stellar evolution environments to examine the impacts of stellar structure and nonspherical motion in the precollapse progenitor on the development of explosions. We compare the explosion evolution of these models in terms of shock dynamics, diagnostic energy, neutrino heating, accretion, explosion geometry, nuclear abundances, and turbulent convection. We also analyze how stochastic variation impacts our simulations. Contrary to results reported in prior studies examining the impacts of multidimensional progenitors, we observe similar shock revival times and explosion development in our simulations despite differences in initial compositions and structures. We find no discernible impact from the accretion of nonradial perturbations from a multi-D progenitor onto the stalled shock in the revival and strength of explosion, as fully developed neutrino-driven convection behind the stalled shock is similar for all our models. For models with physically sourced noise in the iron core, a strong oscillation of the shock occurs after bounce and deflects infall laterally, and accelerates the saturation of the lateral turbulent kinetic energy. An examination of model stochasticity shows that any prior expected impacts on explosive outcome due to convection-related perturbations lie below the detectable threshold of numerical variation.

Chen, Chien-Hui [North Carolina State University]↗
DOE OSTI2020

New Yield Estimates for Nuclear Detonations Over Water

One of the primary methods used by the United States to estimate the yields of atmospheric nuclear tests performed in the 1940’s, 50’s, and 60’s was to film each detonation with a high-speed camera, measure the blast radius as a function of time, and then use Taylor’s spherical blast wave equation to calculate the source energy (i.e., the yield). For surface detonations, the yield in Taylor’s equation was assumed to be twice as large as the actual yield to account for the energy reflected from the surface, assuming the ground was a perfect reflector. Recent simulations of surface detonations over water (referred to as barge shots) have shown that Taylor’s equation must be modified further to account for material entrainment and heat losses. We have computed this lost energy using a high-order radiation-hydrodynamics code to determine the reduction in blast radius vs. time. By analyzing simulation data in the same manner as film data, we have determined that a yield correction factor of 1.27± 0.04 should be applied to the barge shots.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

The Hard Life of Floatovoltaics: Modeling Wind-Driven Oscillations of Floating Solar Panels

Modern, thin photovoltaic (PV) panels for solar power are susceptible to high stress loads in windy conditions. Manufacturers are eager to determine optimal installation practices to reduce these loads, including in the relatively new practice of installing PV on floating structures located on artificial and natural lakes. As part of our effort to develop simulation capabilities for stress on such floating PV systems, we here present our combined model-simulation approach, which simulates the dynamic wind loading and uses modeled elements to capture both the hydrodynamic and mooring-line forces. We discuss the forces important for our model and the challenges inherent in our simulation. Of particular interest is our model of the hysteresis response displayed by the attached mooring lines, which are engineered to damp motion and oscillation of the floating panel system. We validate our approach against the benchmark problem of vortex-induced vibration of a cylinder, which is driven by the same dynamic forces present in floating PV panels.

floating↗
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 OSTI2022

Development of an Enhanced Radiation Physics Toolset for Modeling Spectral and Imaging Signatures in the Warm Dense Matter Experiments

Radiative and atomic processes in plasmas play a critical role in a wide variety of high energy density laboratory plasma (HEDLP) experiments. The emission, absorption, and transport of radiation can strongly affect the overall energetics and evolution of such plasmas. In addition, radiation-based diagnostics – including imaging, spectroscopy, and absolute flux measurements – are widely used to determine key features of HEDLPs. To advance our understanding of HEDLP science, it is vital to have high-fidelity computational physics tools that have well-tested radiation physics modeling, and that are readily accessible to researchers in the HEDLP community. Simulations play an extremely important role for planning and designing the experiments, as well as for post-experiment data analysis. Prism Computational Sciences develops software that is used by National Laboratories and universities (including five members of LaserNetUS network). Prominent examples of such research efforts include z-pinch and short-pulse laser experiments designed to study the basic physics of photoionized plasmas and photoionization fronts, as well as their application to astrophysical plasmas. The main effort was dedicated to the development of non-equilibrium equation-of-state (EOS) models within the HELIOS-CR code, a hydrodynamics code with inline collisional-radiative atomic kinetics. Gas cell experiments on Z and Omega demonstrated the importance of non-equilibrium effects on atomic kinetics in photoionized plasmas. Recent proof-of-principle experiments on Omega EP confirmed the advantages of using a short-pulse laser to create an intense radiation drive, leading to additional experiments being proposed. Photoionization front experiments at LLE also emphasizes the importance of radiation and atomic physics. In both studies, HELIOS-CR simulations played a crucial role in computing non-equilibrium opacities and ionization distributions. A newly developed non-LTE EOS model will help addressing possible non-equilibrium effects, on for example specific heat, and their influence in plasma evolution. Prism also implemented support for open-source atomic data generated by the Flexible Atomic Code. This allows researchers to generate custom atomic tables and use them within the complex framework of simulation tools developed by Prism. The ability to use open-source atomic data would be extremely valuable for hydrodynamics and spectroscopic simulations that include high-Z materials, e.g., picosecond x-ray pulse generation experiments. Support for new atomic structures was fully implemented, and the data can be used by all simulation tools developed at Prism: radiation-hydrodynamics, imaging and spectroscopy, EOS and opacity. The development resulted in a significant fidelity enhancement to the simulations tools developed by Prism that are currently used in other cutting-edge experiments including: opacity measurement experiments performed to both understand the basic radiative and atomic properties of plasmas as well as provide data for more accurately modeling the internal structure of the Sun and other stars, high-intensity short-pulse laser experiments performed to develop short-wavelength light sources for use as backlighters and to investigate fast ignition concepts for inertial fusion energy; capsule implosion experiments designed to develop inertial fusion as an energy source, etc.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

thornado+FLASH-X: A Hybrid Discontinuous Galerkin–Implicit-explicit and Finite-volume Framework for Neutrino-radiation Hydrodynamics in Core-collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement–based multiphysics simulation framework FLASH-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $\mathcal{O}(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino–matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino–electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved through a hybrid DG-FV representation of the fluid variables and operator-split evolution within FLASH-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within FLASH-X. thornado’s neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

Endeve, Eirik [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2022

Hydroscaling indirect-drive implosions on the National Ignition Facility

A goal of the laser-based National Ignition Facility (NIF) is to increase the liberated fusion energy “yield” in inertial confinement fusion experiments well past the ignition threshold and the input laser energy. One method of increasing the yield, hydrodynamic scaling of current experiments, does not rely on improving compression or implosion velocity, but rather increases the scale of the implosion to increase hotspot areal density and confinement time. Indirect-drive (Hohlraum driven) implosions carried out at two target sizes, 12.5% apart, have validated hydroscaling expectations. Moreover, extending comparisons to the best-performing implosions at five different capsule sizes shows that their performance also agrees well with hydroscaling expectations even though not direct hydroscales of one another. In the future, by switching to a reduced loss Hohlraum geometry, simulations indicate that we can drive 20% larger-scale implosions within the current power and energy limitations on the NIF. Finally, at the demonstrated compression and velocity of these smaller-scale implosions, these 1.2× hydroscaled implosions should put us well past the ignition threshold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗