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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Hydro-scaling of direct-drive cylindrical implosions at the OMEGA and the National Ignition Facility

Deceleration-phase Rayleigh–Taylor instability (RTI) growth during inertial confinement fusion capsule implosions significantly affects the performance as it mixes cold ablator material into the fuel. Precise measurements of such instability growth are essential for both validating the existing simulation codes and improving our predictive capability. RTI measurements on the inner surface of a spherical shell are limited and are often inferred indirectly at limited convergence. In contrast, cylindrical implosions allow for direct diagnostic access to the converging interface by imaging down the cylinder axis while retaining the effects of convergence. We have performed direct-drive cylindrical implosion experiments at both the OMEGA and the NIF laser facilities using scaled targets. RTI growth is demonstrated to be scale-invariant between the cylindrical targets at OMEGA and similar targets at the NIF, which are scaled up by a factor of three in the radial dimension. Single-mode (m = 0) instability growth factors of ~14 are measured at a convergence ratio (CR) ~ 2.5 with nearly identical mode growth at both scales. The measurements are in agreement with xRAGE radiation-hydrodynamics simulations. In addition, we have developed the Bayesian-inference-engine method to account for the variations in the target alignment, magnification, and the parallax effect in the measurement, allowing a more precise comparison between the experimental data and the simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Molecular simulation of liquid–vapor coexistence for NaCl: Full-charge vs scaled-charge interaction models

Scaled-charge models have been recently introduced for molecular simulations of electrolyte solutions and molten salts to attempt to implicitly represent polarizability. Although these models have been found to accurately predict electrolyte solution dynamic properties, they have not been tested for coexistence properties, such as the vapor pressure of the melt. In this work, we evaluate the vapor pressure of a scaled-charge sodium chloride (NaCl) force field and compare the results against experiments and a non-polarizable full-charge force field. The scaled-charge force field predicts a higher vapor pressure than found in experiments, due to its overprediction of the liquid-phase chemical potential. Reanalyzing the trajectories generated from the scaled-charge model with full charges improves the estimation of the liquid-phase chemical potential but not the vapor pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Experimental evaluation of shear modulus scaling of dynamic strength at extreme pressures

Recent progress in the development of dynamic strength experimental platforms is allowing for unprecedented insight into the assumptions used to construct constitutive models operating in extreme conditions. In this work, we make a quantitative assessment of how tantalum strength scales with its shear modulus to pressures of hundreds of gigapascals through a cross-platform examination of three dynamic strength experiments. Specifically, we make use of Split–Hopkinson pressure bar and Richtmyer–Meshkov instability experiments to assess the low-pressure strain and strain rate dependence. Concurrent examination of magnetically driven ramp-release experiments up to pressures of 350GPa allows us to examine the pressure dependence. In this work, using a modern description of the shear modulus, validated against both ab initio theory and experimental measurements, we then assess how the experimentally measured pressure dependence scales with shear modulus. Furthermore, we find that the common assumption of scaling strength linearly with the shear modulus is too soft at high pressures and offer discussion as to how descriptions of slip mediated plasticity could result in an alternative scaling that is consistent with the data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Exploring and enhancing the accuracy of interior-scaled Perdew–Zunger self-interaction correction

The Perdew–Zunger self-interaction correction (PZ-SIC) improves the performance of density functional approximations for the properties that involve significant self-interaction error (SIE), as in stretched bond situations, but overcorrects for equilibrium properties where SIE is insignificant. This overcorrection is often reduced by local scaling self-interaction correction (LSIC) of the PZ-SIC to the local spin density approximation (LSDA). Here, we propose a new scaling factor to use in an LSIC-like approach that satisfies an additional important constraint: the correct coefficient of the atomic number Z in the asymptotic expansion of the exchange–correlation (xc) energy for atoms. LSIC and LSIC+ are scaled by functions of the iso-orbital indicator z σ , which distinguishes one-electron regions from many-electron regions. LSIC+ applied to the LSDA works better for many equilibrium properties than LSDA-LSIC and the Perdew, Burke, and Ernzerhof generalized gradient approximation (GGA), and almost close to the strongly constrained and appropriately normed (SCAN) meta-GGA. LSDA-LSIC and LSDA-LSIC+, however, fail to predict interaction energies involving weaker bonds, in sharp contrast to their earlier successes. It is found that more than one set of localized SIC orbitals can yield a nearly degenerate energetic description of the same multiple covalent bond, suggesting that a consistent chemical interpretation of the localized orbitals requires a new way to choose their Fermi orbital descriptors. To make a locally scaled down SIC to functionals beyond the LSDA requires a gauge transformation of the functional’s energy density. Here, the resulting SCAN-sdSIC, evaluated on SCAN-SIC total and localized orbital densities, leads to an acceptable description of many equilibrium properties including the dissociation energies of weak bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Laser-driven, ion-scale magnetospheres in laboratory plasmas. II. Particle-in-cell simulations

Ion-scale magnetospheres have been observed around comets, weakly magnetized asteroids, and localized regions on the Moon and provide a unique environment to study kinetic-scale plasma physics, in particular in the collision-less regime. In this work, we present the results of particle-in-cell simulations that replicate recent experiments on the large plasma device at the University of California, Los Angeles. Using high-repetition rate lasers, ion-scale magnetospheres were created to drive a plasma flow into a dipolar magnetic field embedded in a uniform background magnetic field. The simulations are employed to evolve idealized 2D configurations of the experiments, study highly resolved, volumetric datasets, and determine the magnetospheric structure, magnetopause location, and kinetic-scale structures of the plasma current distribution. We show the formation of a magnetic cavity and a magnetic compression in the magnetospheric region, and two main current structures in the dayside of the magnetic obstacle: the diamagnetic current, supported by the driver plasma flow, and the current associated with the magnetopause, supported by both the background and driver plasmas with some time-dependence. From multiple parameter scans, we show a reflection of the magnetic compression, bounded by the length of the driver plasma, and a higher separation of the main current structures for lower dipolar magnetic moments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Hybrid stochastic synapses enabled by scaled ferroelectric field-effect transistors

Achieving brain-like density and performance in neuromorphic computers necessitates scaling down the size of nanodevices emulating neuro-synaptic functionalities. However, scaling nanodevices results in reduction of programming resolution and emergence of stochastic non-idealities. While prior work has mainly focused on binary transitions, in this work, we leverage the stochastic switching of a three-state ferroelectric field-effect transistor to implement a long-term and short-term two-tier stochastic synaptic memory with a single device. Experimental measurements are performed on a scaled 28 nm high-k metal gate technology-based device to develop a probabilistic model of the hybrid stochastic synapse. In addition to the advantage of ultra-low programming energies afforded by scaling, our hardware–algorithm co-design analysis reveals the efficacy of the two-tier memory in comparison to binary stochastic synapses in on-chip learning tasks—paving the way for algorithms exploiting multi-state devices with probabilistic transitions beyond deterministic ones.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Disruption halo current rotation scaling on Alcator C-Mod and HBT-EP

Asymmetric halo currents (HCs) can exert large net forces on the vacuum vessel and other components during disruptions on tokamaks. The displacements caused by these forces can then be amplified if these asymmetric forces rotate at frequencies resonant with the vessel. This paper reports on the investigation of a recently proposed scaling law for the disruption HC rotation frequency [Saperstein et al., “Halo current rotation scaling in post-disruption plasmas,” Nucl. Fusion 62, 026044 (2022)] that combines measurements on Alcator C-Mod with those on HBT-EP. We find that a new non-circular version of the scaling law [ ⟨ f rot ⟩ m / ⟨ m ⟩ ∝ 1 B T ( S / π )] takes into consideration the dependence of frot on the poloidal structure of the MHD instability (m) driving the asymmetry and describes the disruption-averaged rotation frequency on C-Mod. Disruption rotation is also found to be insensitive to the vertical position and impurity content of the plasma at the onset of the disruption. However, a stagnation in the time evolution of frot is occasionally observed. In conclusion, observations are consistent with the dominance of poloidal rotation during the disruption, which is motivated by the poloidal drift nature of the scaling law.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Exploration of cross-beam energy transfer mitigation constraints for designing an ignition-scale direct-drive inertial confinement fusion driver

The compression of direct-drive inertial confinement fusion (ICF) targets is strongly impacted by cross-beam energy transfer (CBET), a laser-plasma instability that limits ablation pressure by redirecting laser energy outward and that is projected to be mitigated by laser bandwidth. Here, we explore various CBET mitigation constraints to guide the design of future ICF facilities. First, we find that the flat, Gaussian, and Lorentzian spectral shapes have similar CBET mitigation properties, and a flat shape with nine spectral lines is a good surrogate for what can be obtained with other spectral shapes. Then, we conduct a comprehensive study across energy scales and ignition designs. 3D hydrodynamic simulations are used to derive an analytical model for the expected CBET mitigation as a function of laser and plasma parameters. From this model, we study the bandwidth requirements of conventional and shock ignition designs across four different energy scales and find that they require between 0.5 and 3±0.2% relative bandwidth. Further, best mitigation is achieved when the beam radius over critical radius R b /R c is kept low during the drive while the plasma temperature is kept high. In a steady state, we find that the bandwidth required to mitigate 85% of CBET scales as (R b /R c ) 2.15 L n –0.58 I 0.7 , where L n is the density scale length, and I the laser intensity. Finally, we find that the chamber beam port layout does not influence CBET mitigation. In the case of a driver using many monochromatic beamlets, we find that ~10 beamlets per port is required, with diminishing returns above ~20.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Nonlinear dynamics of small-scale Alfvén waves

Herein we study the nonlinear evolution of very oblique small-scale Alfvén waves with k ⊥ d i ≳1. At these scales, the waves become significantly compressive, unlike in magnetohydrodynamics, due to the Hall term in the equations. We demonstrate that when frequencies are small compared to the ion gyrofrequency and amplitudes are small compared to unity, no new nonlinear interaction appears due to the Hall term alone at the lowest non-trivial order, even when k ⊥ d i ~1. However, at the second non-trivial order, we discover that the Hall physics leads to a slow but resonant nonlinear interaction between co-propagating Alfvén waves, an inherently three-dimensional effect. Including the effects of finite temperature, finite frequency, and electron inertia, the two-fluid Alfvén wave also becomes dispersive once one or more of k ⊥ ρ s , k ⊥ d e , or k ∥ d i becomes significant: for oblique waves at low β as studied here, this can be at a much smaller scale than d i . We show that the timescale for one-dimensional steepening of two-fluid Alfvén waves is only significant at these smaller dispersive scales, and also derive an expression for the amplitude of driven harmonics of a primary wave. Importantly, both new effects are absent in gyrokinetics and other commonly used reduced two-fluid models. Our calculations have relevance for the interpretation of laboratory Alfvén wave experiments, as well as shedding light on the physics of turbulence in the solar corona and inner solar wind, where the dominant nonlinear interaction between counter-propagating waves is suppressed, allowing these new effects to become important.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Kibble–Zurek scaling of nonequilibrium phase transition in barium titanate

Far-from-equilibrium phase transition dynamics is one of the grand challenges in modern materials science. A theoretical landmark is the Kibble–Zurek (KZ) scaling to describe the relationship between the temperature quenching rate and the resulting defect density in the vicinity of symmetry-breaking phase transformations. Despite the confirmation of the KZ scaling in ferroic perovskite materials and macroscopic simulations, its atomistic mechanisms remain elusive. Here, we demonstrate the KZ scaling using all-atom molecular dynamics simulations for a prototypical ferroelectric perovskite, barium titanate, with the scaling exponent corresponding to the theoretical prediction for rapid quenching. Simulated diffuse neutron scattering data are presented to guide future experiments.

Physics↗
DOE OSTI2024

Effects of wave damping and finite perpendicular scale on three-dimensional Alfvén wave parametric decay in low-beta plasmas

Shear Alfvén wave parametric decay instability (PDI) provides a potential path toward significant wave dissipation and plasma heating. However, fundamental questions regarding how PDI is excited in a realistic three-dimensional (3D) open system and how the finite perpendicular wave scale—as found in both laboratory and space plasmas—affects the excitation remain poorly understood. Here, we present the first 3D, open-boundary, hybrid kinetic-fluid simulations of kinetic Alfvén wave PDI in low-beta plasmas. Key findings are that the PDI excitation is strongly limited by the wave damping present, including electron–ion collisional damping (represented by a constant resistivity) and geometrical attenuation associated with the finite-scale Alfvén wave, and ion Landau damping of the child acoustic wave. The perpendicular wave scale alone, however, plays no discernible role: waves of different perpendicular scales exhibit similar instability excitation as long as the magnitude of the parallel ponderomotive force remains unchanged. These findings are corroborated by theoretical analysis and estimates. This new understanding of 3D kinetic Alfvén wave PDI physics is essential for laboratory study of the basic plasma process and may also aid future evaluation of the relevance/role of PDI in low-beta space plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Femtosecond x-ray photon correlation spectroscopy enables direct observations of atomic-scale relaxations of glass forming liquids

Glass-forming liquids exhibit structural relaxation behaviors, reflecting underlying atomic rearrangements on a wide range of timescales and playing a crucial role in determining material properties. However, the relaxation processes on the atomic scale are not well-understood due to the experimental difficulties in directly characterizing the evolving correlations of atomic-scale order in disordered systems. Here, in this study, we harness the coherence and ultrashort pulse characteristics of an x-ray free electron laser to directly probe atomic-scale ultrafast relaxation dynamics in the model system Ge 15 Te 85 . We demonstrate an analysis strategy for determining the intermediate scattering function by extracting the contrast decay of summed scattering patterns from two rapidly successive, nearly identical femtosecond x-ray pulses generated by a split-delay system. The result indicates a full decorrelation of atomic-scale order on the sub-picosecond timescale, supporting the argument for a high-fluidity fragile state of liquid Ge 15 Te 85 above its dynamic crossover temperature. The demonstrated strategy opens an avenue for experimental studies of relaxation dynamics in liquids, glasses, and other highly disordered systems.

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

Measurements and scaling of ion propulsion impulse during driven magnetic reconnection

Impulse scaling during magnetic reconnection, the magnetic energy conversion to kinetic energy, via direct Mach probe measurements in Magnetic Reconnection Experiment is examined. Ion exhaust velocity and impulse scalings with reconnecting magnetic field during the push phase of driven reconnection are presented. The outflows and impulse measurements are compared with global MHD simulations. Both measurements and simulations reveal a favorable scaling, greater than linear, of impulse with reconnecting field. These scaling results establish that magnetic reconnection could be utilized for plasma propulsion.

Ebrahimi, Fatima [Princeton Plasma Physics Laborat↗
DOE OSTI2024

Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose

The outstanding mechanical properties, light weight, and biodegradability of cellulose nanofibrils (CNFs) make them promising components of renewable and sustainable next-generation reinforced composite biomaterials and bioplastics. Manufacturing CNFs at a pilot scale requires disc-refining fibrillation of dilute cellulose fibers in aqueous pulp suspensions to shear the fibers apart into their nanodimensional forms, which is, however, an energy-intensive process. Here, in this study, we used atomistic molecular dynamics (MD) simulation to examine media that might facilitate the reduction of interactions between cellulose fibers, thereby reducing energy consumption in fibrillation. The most suitable medium found by the simulations was an aqueous solution with 0.007:0.012 wt.% NaOH:urea, and indeed this was found in pilot-scale experiments to reduce the fibrillation energy by ~21% on average relative to water alone. The NaOH:urea-mediated CNFs have similar crystallinity, morphology, and mechanical strength to those formed in water. The NaOH and urea act synergistically on CNFs to aid fibrillation but at different length scales. NaOH deprotonates hydroxyl groups leading to mesoscale electrostatic repulsion between fibrils, whereas urea forms hydrogen bonds with protonated hydroxyl groups thus disrupting interfibril hydrogen bonds. This suggests a general mechanism in which an aqueous medium that contains a strong base and a small organic molecule acting as a hydrogen-bond acceptor and/or donor may be effectively employed in materials processes where dispersion of deprotonable polymers is required. The study demonstrates how atomic-detail computer simulation can be integrated with pilot-scale experiments in the rational design of materials processes for the circular bioeconomy.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Rippled metamaterials with scale-dependent tailorable elasticity

Thermally induced ripples are intrinsic features of nanometer-thick films, atomically thin materials, and cell membranes, significantly affecting their elastic properties. Despite decades of theoretical studies on the mechanics of suspended thermalized sheets, controversy still exists over the impact of these ripples, with conflicting predictions about whether elasticity is scale-dependent or scale-independent. Experimental progress has been hindered so far by the inability to have a platform capable of fully isolating and characterizing the effects of ripples. This knowledge gap limits the fundamental understanding of thin materials and their practical applications. Here, we show that thermal-like static ripples shape thin films into a class of metamaterials with scale-dependent, customizable elasticity. Utilizing a scalable semiconductor manufacturing process, we engineered nanometer-thick films with precisely controlled frozen random ripples, resembling snapshots of thermally fluctuating membranes. Resonant frequency measurements of rippled cantilevers reveal that random ripples effectively renormalize and enhance the average bending rigidity and sample-to-sample variations in a scale-dependent manner, consistent with recent theoretical estimations. The predictive power of the theoretical model, combined with the scalability of the fabrication process, was further exploited to create kirigami architectures with tailored bending rigidity and mechanical metamaterials with delayed buckling instability.

Applied Physical Sciences↗
DOE OSTI2021

Small to Full-Height Scale Comparisons of Cesium Ion Exchange Performance with Crystalline Silicotitanate

Crystalline silicotitanate (CST) ion exchanger is planned to be used to remove cesium (137Cs) from the aqueous phases of Hanford tank wastes in preparation for vitrification at the Waste Treatment and Immobilization Plant (WTP) Pretreatment Facility. Column scale up testing was conducted to evaluate performance of Cs exchange onto the CST. Batch contact testing was conducted to assess exchange kinetics of Cs exchange at four different CST PSDs. Column testing was conducted at three column sizes, small (2.5% full height), medium (12% full height), and full height, to assess Cs load performance behavior. Testing at the small scale was compared to actual Hanford tank waste testing to verify the validity of simulant tests to accurately represent full height column performance. A change in CST particle size was essential in scaling the small column dynamics up to full scale. Based on these results, a determination of intraparticle and film diffusion impacts on overall mass transfer coefficients will allow future modeling of the breakthrough performance at a range of process conditions.

Westesen, Amy M.↗
DOE OSTI2020

Phenomenology and cosmology of no-scale attractor models of inflation

We have recently proposed attractor models for modulus fixing, inflation, supersymmetry breaking and dark energy based on no-scale supergravity. In this paper we develop phenomenological and cosmological aspects of these no-scale attractor models that underpin their physical applications. We consider models in which inflation is driven by a modulus field (T-type) with supersymmetry broken by a Polonyi field, or a matter field (φ-type) with supersymmetry broken by the modulus field. We derive the possible patterns of soft supersymmetry-breaking terms, which depend in T-type models whether the Polonyi and/or matter fields are twisted or not, and in φ-type models on whether the inflaton and/or other matter fields are twisted or not. In φ-type models, we are able to directly relate the scale of supersymmetry breaking to the inflaton mass. We also discuss cosmological constraints from entropy considerations and the density of dark matter on the mechanism for stabilizing the modulus field via higher-order terms in the no-scale K¨ahler potential.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Baryonic effects in the Effective Field Theory of Large-Scale Structure and an analytic recipe for lensing in CMB-S4

Upcoming Large-Scale Structure surveys will likely become the next leading sources of cosmological information, making it crucial to have a precise understanding of the influence of baryons on cosmological observables. The Effective Field Theory of Large-Scale Structure (EFTofLSS) provides a consistent way to predict the clustering of dark matter and baryons on large scales, where their leading corrections in perturbation theory are given by a simple and calculable functional form even after the onset of baryonic processes. In this paper, we extend the two-fluid-like system up to two-loop order in perturbation theory. Along the way, we show that a new linear counterterm proportional to the relative velocity of the fluids could generically be present, but we show that its effects are expected to be small in our universe. Regardless, we show how to consistently perform perturbation theory in the presence of this new term. We find that the EFTofLSS at two-loop order can accurately account for the details of baryonic processes on large scales. Additionally, we compare our results to a hydrodynamical N-body simulation at many redshifts and find that the counterterms associated with the leading corrections to dark matter and baryons start to differ between redshifts z ≈ 3 and z ≈ 2, signaling the onset of star-formation physics. We then use these fits to compute the lensing power spectrum, show that the understanding of baryonic processes will be important for analyzing CMB-S4 data, and show that the two-loop EFTofLSS accurately captures these effects for ℓ ≲ 2000. Our results are also potentially of interest for current and future weak lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗