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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Kinetic-controlled transformations of group-III arsenide nanocubes

Tracking the structural evolution of colloidal nanocrystals (NCs) facilitates the mechanistic studies of their materials chemistry. NC engineering via phase transformation reveals the chemical and physical determinants that drive lattice-scale dynamic processes such as cation exchange. Here, in this study, we employed NCs to demonstrate the cation exchange process from Cu 3 As to InAs and GaAs within nanocubes. The symmetry conversion in unit cells from cubic Cu 3 As to hexagonal InAs and GaAs can be described using a schematic cellular automaton model, which suggests a simplified cube-to-sphere transition. The strong covalent characteristics of III–V materials highlight the kinetic control that navigates the tailorable transformation through either an isotropic trajectory, leading to hollow structures, or a topotaxial trajectory, with abundant stacking faults. The reconstruction of complex covalent bonds is envisioned as the foundation for the synthesis of NCs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Trends and 2025 Insights on the Rise of Electric Vehicles in the USA

Plug-in electric vehicles (EVs) are reshaping the transportation energy landscape, providing a practical alternative to petroleum fuels for a growing number of applications. EV sales grew 55x in the past decade (2014-2024) and 6x since 2020, driven by technological progress enabled by policies to reduce transportation emissions as well as industrial plans motivated by strategic value of EVs for global competitiveness, jobs and geopolitics. In 2024, 22% of passenger cars sold globally were EVs and opportunities for EVs beyond on-road applications are growing, including solutions to electrify off-road vehicles, maritime and aviation. This Review updates and expands our 2020 assessment of the scientific literature and describes the current status and future projections of EV markets, charging infrastructures, vehicle-grid integration and supply chains in the USA. EV is the lowest-emission motorized on-road transportation option, with life-cycle emissions decreasing as electricity emissions continue to decrease. Charging infrastructure grew in line with EV adoption but providing ubiquitous reliable and convenient charging remains a challenge. EVs are reducing electricity costs in several US markets and coordinated EV charging can improve grid resilience and reduce electricity costs for all consumers. The current trajectory of technology improvement and industrial investments points to continued acceleration of EVs.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Raman spectrum and polarizability of liquid water from deep neural networks

We introduce a scheme based on machine learning and deep neural networks to model the environmental dependence of the electronic polarizability in insulating materials. Application to liquid water shows that training the network with a relatively small number of molecular configurations is sufficient to predict the polarizability of arbitrary liquid configurations in close agreement with ab initio density functional theory calculations. In combination with a neural network representation of the interatomic potential energy surface, the scheme allows us to calculate the Raman spectra along 2-nanosecond classical trajectories at different temperatures for H 2 O and D 2 O. The vast gains in efficiency provided by the machine learning approach enable longer trajectories and larger system sizes relative to ab initio methods, reducing the statistical error and improving the resolution of the low-frequency Raman spectra. Decomposing the spectra into intramolecular and intermolecular contributions elucidates the mechanisms behind the temperature dependence of the low-frequency and stretch modes.

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

Single-photoelectron collection efficiency in 4D ultrafast electron microscopy

In femtosecond (fs) 4D ultrafast electron microscopy (UEM), a tradeoff is made between photoelectrons per packet and time resolution. One consequence of this can be longer-than-desirable acquisition times for low-density packets, and particularly for low repetition rates when complete photothermal dissipation is required. Thus, gaining an understanding of photoelectron trajectories in the gun region is important for identifying factors that limit collection efficiency (CE; fraction of photoelectrons that enter the illumination system). Here, we continue our work on the systematic study of photoelectron trajectories in the gun region of a Thermo Fisher/FEI Tecnai Femto UEM, focusing specifically on CE in the single-electron regime. Using General Particle Tracer, calculated field maps, and the exact architecture of the Tecnai Femto UEM, we simulated the effects of fs laser parameters and key gun elements on CE. The results indicate CE strongly depends upon the laser spot size on the source, the (unbiased) Wehnelt aperture diameter, and the incident photon energy. The CE dispersion with laser spot size is found to be strongly dependent on aperture diameter, being nearly dispersionless for the largest apertures. A gun crossover is also observed, with the beam-waist position being dependent on the aperture diameter, further illustrating that the Wehnelt aperture acts as a simple, fixed electrostatic lens in UEM mode. This work provides further insights into the operational aspects of fs 4D UEM.

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

UV photodissociation dynamics of the acetone oxide Criegee intermediate: experiment and theory

Here, the photodissociation dynamics of the dimethyl-substituted acetone oxide Criegee intermediate [(CH 3 ) 2 COO] is characterized following electronic excitation to the bright 1 ππ* state, which leads to O ( 1 D) + acetone [(CH 3 ) 2 CO, S 0 ] products. The UV action spectrum of (CH 3 ) 2 COO recorded with O ( 1 D) detection under jet-cooled conditions is broad, unstructured, and essentially unchanged from the corresponding electronic absorption spectrum obtained using a UV-induced depletion method. This indicates that UV excitation of (CH 3 ) 2 COO leads predominantly to the O ( 1 D) product channel. A higher energy O ( 3 P) + (CH 3 ) 2 CO (T 1 ) product channel is not observed, although it is energetically accessible. In addition, complementary MS-CASPT2 trajectory surface-hopping (TSH) simulations indicate minimal population leading to the O ( 3 P) channel and non-unity overall probability for dissociation (within 100 fs). Velocity map imaging of the O ( 1 D) products is utilized to reveal the total kinetic energy release (TKER) distribution upon photodissociation of (CH 3 ) 2 COO at various UV excitation energies. Simulation of the TKER distributions is performed using a hybrid model that combines an impulsive model with a statistical component, the latter reflecting the longer-lived (>100 fs) trajectories identified in the TSH calculations. The impulsive model accounts for vibrational activation of (CH 3 ) 2 CO arising from geometrical changes between the Criegee intermediate and the carbonyl product, indicating the importance of CO stretch, CCO bend, and CC stretch along with activation of hindered rotation and rock of the methyl groups in the (CH 3 ) 2 CO product. Detailed comparison is also made with the TKER distribution arising from photodissociation dynamics of CH 2 OO upon UV excitation.

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

Aging matrix visualizes complexity of battery aging across hundreds of cycling protocols

To reliably deploy lithium-ion batteries, a fundamental understanding of cycling aging behavior is critical. Battery aging consists of complex and highly coupled phenomena, making it challenging to develop a holistic interpretation. In this work, we generate a diverse battery cycling dataset with a broad range of degradation trajectories, consisting of 359 high energy density commercial Li(Ni,Co,Al)O 2 /graphite + SiO x cylindrical 21 700 cells cycled across 207 unique cycling protocols. We consolidate aging via 16 mechanistic state-of-health (SOH) metrics, including cell-level performance metrics, electrode-specific capacities/state-of-charges (SOCs), and aging trajectory metrics. We develop a framework using interpretable machine learning and explainable features to generate an aging matrix that visually deconvolutes the complex battery degradation behavior. This generalizable data-driven mechanistic framework simplifies the complex interplay between cycling conditions, degradation modes, and SOH, acting as a hypothesis-generation tool to aid battery users in identifying key degradation regimes for further study and experimentation.

25 ENERGY STORAGE↗
DOE OSTI2024

Analytical model for the motion and interaction of two-dimensional active nematic defects

Here, we develop an approximate, analytical model for the velocity of defects in active nematics by combining recent results for the velocity of topological defects in nematic liquid crystals with the flow field generated from individual defects in active nematics. Importantly, our model takes into account the long-range interactions between defects that result from the flows they produce as well as the orientational coupling between defects inherent in nematics. Our work complements previous studies of active nematic defect motion by introducing a linear approximation that allows us to treat defect interactions as two-body interactions and incorporates the hydrodynamic screening length as a tuning parameter. We show that the model can analytically predict bound states between two +1/2 winding number defects, effective attraction between two –1/2 defects, and the scaling of a critical unbinding length between ±1/2 defects with activity. The model also gives predictions for the trajectories of defects, such as the scattering of +1/2 defects by –1/2 defects at a critical impact parameter that depends on activity. In the presence of circular confinement, the model predicts a braiding motion for three +1/2 defects that was recently seen in experiments, as well as stable and ergodic trajectories for four or more defects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Development of a directly driven multi-shell platform: Laser drive energetics

Simulations predict that directly driven multi-shell targets can provide a robust alternative to conventional high-convergence implosion concepts by coupling two to three times more energy into the final igniting thermonuclear fuel assembly than indirect-drive concepts. The three-shell directly driven Revolver concept [K. Molvig, M. J. Schmitt, B. J. Albright, E.S. Dodd, N.M. Hoffman, G.H. McCall, and S.D. Ramsey, Phys. Rev. Lett. 116, 255003 (2016)] utilizes a design that maximizes laser energy conversion into inward kinetic energy of the outermost ablator shell (~9%) while minimizing the DT fuel convergence (~9) to reduce the mixing of material from the innermost shell into the fuel. Inherent in this design concept is the use of 192 narrow beams (with a 1/e laser beam-to-capsule diameter ratio of 0.33) from the National Ignition Facility laser pointed in a polar direct drive laser configuration. In this paper, we demonstrate that low average laser intensity at the capsule surface (≤300 TW/cm 2 ) limits the measured laser backscatter, indicating that a greater amount of laser energy is coupled into the target. Omega experiments have been performed to determine the coupling of laser energy to the outermost shell of a scaled Revolver target (i.e., the ablator shell) by measuring capsule implosion trajectories and scattered-light fractions for two different drive configurations. Comparisons of simulated shell trajectory and velocity profiles with experimental data obtained from self-emission images show good agreement and are consistent with measured scattered light data. Furthermore, the low levels of scattered light measured are consistent with post-shot simulation results that show high hydro-coupling efficiency. These results strengthen the case for using narrow beams at low intensity to drive large ablator capsules for future direct-drive, multi-shell ignition concepts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Improvement in the spatial resolution of heavy ion beam probe measurements through application of ion optics

A technique for more accurately modeling and improving the spatial resolution of heavy ion beam probe measurements is described. We use a set of particle trajectories to numerically determine the focusing properties of a complicated three-dimensional magnetic field and characterize those properties with a transfer matrix. We then modify the transfer matrix approach of traditional ion optics to include a parameter that describes the ionization location of the detected ions. The ion optics model calculated using this technique enables a more accurate description of the particle trajectories than previously feasible. The model also allows one to easily determine an initial beam focus that could be used during experimental operation to optimize the spatial resolution of measurements. The technique has been applied to the design of a heavy ion beam probe diagnostic for the Wendelstein 7-X stellarator and improvements in the modeled spatial resolution by a factor of about 2 over previous estimates are possible. As a result, the improved spatial resolution will enable measurements of plasma fluctuations with smaller wavelengths than would otherwise be possible.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Reconstructing magnetic deflections from sets of proton images using differential evolution

Proton imaging is a powerful technique for imaging electromagnetic fields within an experimental volume, in which spatial variations in proton fluence are a result of deflections to proton trajectories due to interaction with the fields. When deflections are large, proton trajectories can overlap, and this nonlinearity creates regions of greatly increased proton fluence on the image, known as caustics. The formation of caustics has been a persistent barrier to reconstructing the underlying fields from proton images. We have developed a new method for reconstructing the path-integrated magnetic fields, which begins to address the problem posed by caustics. Our method uses multiple proton images of the same object, each image at a different energy, to fill in the information gaps and provide some uniqueness when reconstructing caustic features. We use a differential evolution algorithm to iteratively estimate the underlying deflection function, which accurately reproduces the observed proton fluence at multiple proton energies simultaneously. We test this reconstruction method using synthetic proton images generated for three different, cylindrically symmetric field geometries at various field amplitudes and levels of proton statistics and present reconstruction results from a set of experimental images. Here, the method we propose requires no assumption of deflection linearity and can reliably solve for fields underlying linear, nonlinear, and caustic proton image features for the selected geometries and is shown to be fairly robust to noise in the input proton intensity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Modeling of small tungsten dust grains in EAST tokamak with NDS-BOUT ++

In order to investigate the transport of small dusts as well as their evolution property along their trajectories, the NDS module is developed under the BOUT++ framework, a highly desirable C++ code package to perform parallel plasma fluid simulations with an arbitrary number of equations in three-dimensional curvilinear coordinates. Due to the severe dust ablation in fusion plasmas, the dust size would decrease from micrometer to nanometer, resulting in impurities. Small dusts in the simulations here are specified as tungsten spheres with the radii on or below the order of submicrometer. The Rayleigh limit is included in the charging process when the dust is ablated to the droplet phase. The simulation results from the NDS module show that a 200 nm radius spherical tungsten dust originated from upper divertor region of EAST Tokamak is ablated completely due to the intense heating from the incoming plasma inside the core region, well consistent with the CCD footage of EAST shot # 81459. Furthermore it is found that the magnetic field dominates the dust transport when the dust radius is below 100 nm during the ablation along the trajectory. Our simulations predict that a 10 nm radius spherical tungsten dust injected from the inner midplane is well constrained by the magnetic field, and it reaches the inner divertor target with a velocity on the order of km/s.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

An approximate inertial manifold (AIM) based closure for turbulent flows

A closure model for turbulent flows is developed based on a dynamical system theory. An appropriately discretized formulation of the governing equations is considered for this process. The key ingredient is an approximation of the system’s attractor, where all the trajectories in phase space are confined. This approximate inertial manifold based approach provides a path to track trajectories of the system in a lower-dimensional subspace. Unlike conventional coarse-graining approaches, the turbulent field is decomposed into resolved and unresolved dynamics using the properties of the governing equations. The novelty of the approach relies on the reconstruction of the unresolved field constrained by the governing equations. A posteriori tests for homogeneous isotropic turbulence and the Kuramoto–Sivashinsky equation show promising results for considerable dimension reduction with strong convergence properties. The proposed model outperforms the dynamic Smagorinsky model, and the computational overhead is competitive with similar approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

When action is not least for systems with action-dependent Lagrangians

The dynamics of some non-conservative and dissipative systems can be derived by calculating the first variation of an action-dependent action according to the variational principle of Herglotz. This is directly analogous to the variational principle of Hamilton commonly used to derive the dynamics of conservative systems. In a similar fashion, just as the second variation of a conservative system’s action can be used to infer whether that system’s possible trajectories are dynamically stable, so too can the second variation of the action-dependent action be used to infer whether the possible trajectories of non-conservative and dissipative systems are dynamically stable. In this paper, I show, generalizing earlier analyses of the second variation of the action for conservative systems, how to calculate the second variation of the action-dependent action and how to apply it to two physically important systems: a time-independent harmonic oscillator and a time-dependent harmonic oscillator.

Physics↗
DOE OSTI2022

Measurement and simulation of small cryogenic neon pellet Ne-I 640 nm photon efficiency during ablation in DIII-D plasma

Small (~1 mm) neon pellet fragments are fired into DIII-D H-mode plasmas, and resulting trajectory-averaged photon efficiencies (neutral neon ionization events for every photon emitted) of S/XB ≈ 85 are estimated for Ne-I 640 nm by dividing the estimated initial pellet fragment mass by the measured number of emitted Ne-I photons. The experiments are modeled by running the Lagrangian particle (LP) fluid/magneto-hydrodynamic pellet code to estimate axial ablation plume neon density profiles and temperature profiles at each pellet position. These solutions are then fed into the PrismSPECT collisional-radiative code, which calculates resulting neon charge states and photon emission rates, giving a profile-average of S/XB ≈ 109. The burnthrough plasma minor radius predicted by LP (ρ ≈ 0.63) is reasonably close to the experimental observation ρ ≈ 0.6. Furthermore, the modeling indicates that local S/XB is not constant along the pellet trajectory but tends to increase with increasing ablation rate. Non-equilibrium kinetics are predicted to be very important, while line trapping is predicted to be relatively unimportant (for Ne-I 640 nm S/XB).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Dynamical commensuration effect in a two-dimensional Yukawa solid modulated by periodic substrates

Transverse depinning dynamics of a periodic-square-substrate modulated two-dimensional dusty plasma solid driven by a constant force in the longitudinal direction are investigated using Langevin dynamical simulations. When the commensuration ratio (the number ratio of particles to substrate potential wells) is increased, there is a nonmonotonic variation of the critical transverse depinning force, and the local maxima and minima of the critical transverse depinning force precisely correspond to the dynamical commensurate and incommensurate conditions, respectively. Here, the dynamical commensuration effect is also clearly visible in the stable one-dimensional channel particle trajectories and the highly ordered structure, while both the particle trajectories and the structure are more disordered under the incommensurate conditions. The nonmonotonic variation of the critical transverse depinning force is attributed to the stability of the lattice structure at specific commensuration ratios.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

EUV debris mitigation using magnetic nulls

Next generation EUV sources for photolithography use light produced by laser-produced plasmas (LPP) from ablated tin droplets. A major challenge for extending the lifetime of these devices is mitigating damage caused by deposition of tin debris on the sensitive collection mirror. Especially difficult to stop are high energy (up to 10 keV) highly charged tin ions created in the plasma. Existing solutions include the use of stopping gas, electric fields, and magnetic fields. One common configuration consists of a magnetic field perpendicular to the EUV emission direction, but such a system can result in ion populations that are trapped rather than removed. Here we investigate a previously unconsidered mitigation geometry consisting of a magnetic null by performing full-orbit integration of the ion trajectories in an EUV system with realistic dimensions and optimize the coil locations for the null configuration. The magnetic null prevents a fraction of ions from hitting the mirror comparable to that of the perpendicular field, but does not trap any ions due to the chaotic nature of ion trajectories that pass close to the null. This technology can potentially improve LPP-based EUV photolithography system efficiency and lifetime and may allow for a different, more efficient formulation of buffer gas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Refined interpretation of electron temperature response to neutral beam injection at DIII-D

Accurate particle and power deposition profiles of neutral beam injection (NBI) are essential to transport studies, and that information is usually acquired through Monte Carlo simulations with a given collisional model. The deposition process of the energetic beam particles leads to the informative electron temperature (T e ) evolution trajectory, which can be captured by electron cyclotron emission (ECE) system due to its good spatial and temporal resolution. Previously, some work has been done to interpret the T e responses to the pulsed NBI as a linear heating source with Fourier-based techniques, although that approach fell short when the fast ion slowing-down time becomes significant (~100 ms). It has been observed in DIII-D that the modulated NBI pulses (10–50 Hz) reduce local core T e values ~0.1 keV through cold electron dilution in high-T e (>2 keV) plasmas alongside accumulative heating. Here, a novel approach to interpret the T e response to NBI was developed by linearizing and modeling the detailed T e evolution trajectory using coherently averaged ECE data based on the different time scales of the terms in the local power and particle balance equations. The technique does not require absolute calibrations of ECE and is independent of collisional models. The resulting beam deposition profiles show good consistency and reasonable agreement with Monte Carlo calculations based on the atomic data from the Atomic Data and Analysis Structure (ADAS). Local electron density response measured by Thomson scattering (TS) also suggests the same features when the beam pulse is large enough for that diagnostic to resolve. The remaining discrepancies are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗