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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Continuum gyrokinetic simulations of edge plasmas in single-null geometries

The first continuum gyrokinetic calculations of electrostatic ion scale turbulence are presented for the case of a diverted tokamak geometry. The simulation model solves the long-wavelength limit of the full-F gyrokinetic equation for ion species coupled to the quasi-neutrality equation for electrostatic potential variations, where a fluid model is used for an electron response. Furthermore, in order to facilitate simulations of highly-anisotropic microturbulence in the presence of strong magnetic shear and a magnetic X-point, a numerical algorithm utilizing a locally field-aligned multiblock coordinate system has been developed and implemented in the 5D finite-volume code COGENT. In this approach, the toroidal direction is divided into blocks, such that within each block, the cells are field-aligned and a non-matching grid interface is allowed at block boundaries. The toroidal angle corresponds to the “coarse” field-aligned coordinate, whereas the poloidal cross section, comprised of the radial and poloidal directions, is finely gridded to resolve short-scale perpendicular turbulence structures and to support accurate re-mapping (interpolation) at block boundaries. The 5D simulations explore cross-separatrix ion scale turbulence in the presence of a self-consistent radial electric field and address the effects of magnetic-shear stabilization in the X-point region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A Closed Bay-Breeze Circulation and Its Lifecycle From TRACER With a New Orienteering Tape Recorder Diagram

A closed bay-breeze circulation (BBC) followed by a gulf-breeze front (GBF) was observed on 10 September 2022 during the Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) TRACER campaign. Using high-resolution X-band Scanning Cloud Radar (XSACR) and a newly developed orienteering tape recorder diagram, the study analyzed radar reflectivity and Doppler velocity to identify anomalies and track the evolution of these circulations. The BBC, a mesoscale system approximately 30-km long, 30-km wide, and 2-km deep, formed from enhanced horizontal convective rolls along the Galveston Bay coast, progressing northwestward under a 6 m s−1 onshore flow anomaly and reaching 1.5 km depth with return flow aloft. The inland penetration speed was 2 m s−1, driven by an observed 6-9 K land-water temperature contrast. The GBF, coupled to the BBC, intensified with additional southerly flow, penetrating further inland after the BBC collapsed. Passing over the TRACER field site, both fronts significantly impacted boundary layer thermodynamics, dynamics, and aerosol concentration. The BBC event exhibited four lifecycle stages-formation, development, maturation, and dissipation-driven by solar heating, wind field rotation, and interactions with convective eddies and the GBF. This study provides insights into the inland evolution of coastal breeze circulations and their interactions with environmental processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Effects of Strain and Strain Rate on Dynamic Grain Growth and Subgrain Evolution During Plastic Deformation of an Interstitial-Free Steel at 850 ° C

Here, the effects of strain and strain rate on dynamic grain growth (DGG) and subgrain evolution are reported for an interstitial-free steel deformed at 850 ° C. Microstructures produced during tension tests at true-strain rates of 10 -4 and to 10 -3 s -1 true strains ranging from 0.02 to 0.2 were preserved following deformation. These were characterized using electron backscatter diffraction (EBSD), including the application of spherical harmonic transform indexing to produce high-angular-resolution EBSD (HR-EBSD) data. HR-EBSD data resolved the small misorientation angles of subgrain boundaries while imaging much larger data fields than possible with previously available techniques. The resulting data confirmed that steady-state flow stress is inversely proportional to the average subgrain size and that subgrain boundary misorientation angle increases with strain. The following new observations are reported. The rate of DGG increased with respect to time but decreased with respect to strain as strain rate increased. This behavior is rationalized through a simple model using separate rate parameters for the effects of time and strain. Subgrain size was not constant during steady-state deformation, but decreased slowly with increasing strain. Subgrain size distributions and subgrain boundary misorientation angle distributions were measured, and both remained approximately log-normal during steady-state deformation. Subgrain evolution demonstrated no dependence on parent grain size, crystallographic orientation, or Taylor factor. These new data suggest that steady-state flow stress is more likely controlled by the dislocation density internal to subgrains than by the spacing between subgrain boundaries.

dynamic grain growth↗
DOE OSTI2025

Informed unsupervised machine learning analysis of dislocation microstructure from high-resolution differential aperture X-ray structural microscopy data

This study leverages high-resolution differential-aperture X-ray structural microscopy (DAXM) to probe the local dislocation structure in deformed 304L-stainless steel at small strain, by measuring the lattice rotation and deviatoric elastic strain with a sub-micron resolution. For a single grain in a polycrystalline specimen, the measured lattice rotation field over the measured volume exhibited a multimodal distribution while the deviatoric elastic strain showed a single-mode distribution. An unsupervised Cauchy mixture machine learning model was developed to resolve the multimodal distribution of the lattice rotation. By mapping the lattice rotation data associated with each Cauchy peak in the model back onto the measured volume, we identify contiguous regions of the crystal rotated near the average values corresponding to the peaks of the overall rotation distribution. These regions represent the grain subdivision in the microstructure. Finally, the dislocation density tensor was also computed and its norm was laid over the rotation field to detect the subgrain boundaries. This step provided a validation of the Cauchy mixture model for the analysis of the lattice rotation distribution. The current study highlights the integration of advanced X-ray microscopy techniques with data-driven analysis methods to uncover detailed microstructure scales in deformed crystals.

Machine learning; Lattice rotation; High-energy X-↗
DOE OSTI2024

Acoustic and electrical properties of Fe-Ti oxides with application to the deep lunar mantle

The overturn of titanium-rich mantle cumulates has been invoked to explain the structure and dynamics of the Moon. These dense cumulates are stable at the core-mantle boundary (CMB) and could explain field observations inferred from geophysical studies. Here, we report acoustic and electrical experiments on natural ilmenite-rutile aggregates up to 4.5 GPa and 1920 K. Seismic velocities show a weak pressure and temperature dependence, with Vs ~ 4.2 (+/-0.2) km/s and Vp ~8.0 (+/-0.2) km/s at the CMB conditions. Conductivity increases by a factor of 10 4 from 373 to 1920 K and is >10(3) S/m above 1573 K. Seismic and electrical models for the lunar mantle based on our results, considering mixtures of Fe-Ti oxides and olivine, indicate that field velocity and conductivity estimates are reproduced satisfactorily with 3-16 vol.% Fe-Ti oxides and 20 vol.% melt. Interactions between a Ti-rich, melt-bearing layer and the adjacent core likely affect the cooling and magnetic history of the Moon.

58 GEOSCIENCES↗
DOE OSTI2026

A mechanistic, multiscale model for predicting Pd penetration in TRISO fuels using BISON

TRistructural ISOtropic (TRISO) particles use silicon carbide (SiC) as the primary structural member and barrier against metallic fission product (FP) release. palladiums (PDs), produced by fission in the fuel kernel, can diffuse to and chemically interact with the SiC layer, degrading its structural integrity and ability to contain radioactive FPs. Existing temperature-dependent correlations for predicting Pd penetration rely on experimental data with significant scatter due to varying conditions, potentially complicating ongoing fuel qualification and licensing efforts for advanced reactors that would subject TRISO fuels to operating conditions outside of those examined in the experiments. A mechanistic model of Pd production, transport, and reaction is developed in this work to better understand and predict PD attack of SiC in TRISO particles. molecular dynamicss (MDs) simulations are utilized to calculate the Pd diffusivity in SiC grain bulk and grain boundaries. A mesoscale phase-field diffusion model, informed by the MD diffusivities, is used to develop a reduced order model (ROM) for the effect of SiC microstructure on the Pd penetration rate. The engineering scale BISON model calculates Pd production and transport, utilizing the ROM to predict penetration rates consistent with experimental data. This novel mechanistic ROM captures the effect of temperature, microstructure, and irradiation history on Pd penetration. In conclusion, these new capabilities are expected to support ongoing qualification and licensing efforts associated with near-term TRISO-fueled reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Resistive wall mode stability and resonant field amplification in MAST high beta plasma

The n=1 (n is the toroidal mode number) resistive wall mode (RWM) instability and the resonant field amplification (RFA) due to a stable RWM response are numerically investigated for a MAST high-pressure plasma scenario, utilizing the MARS-F (Liu Y.Q. et al 2000 Phys. Plasmas 7 3681) and MARS-K (Liu Y.Q. et al 2008 Phys. Plasmas 15 112503) codes, for the purpose of understanding the potential RWM behavior in MAST-U plasmas. Ideal kink stability analysis identifies a target plasma, with parameters similar to that of the reference equilibrium reconstructed from a MAST high-pressure discharge, that accesses the RWM regime. The unstable n=1 RWM for the target equilibrium is subject to strong damping by the plasma toroidal flow and/or the drift kinetic effects from thermal particles. As a result, the mode is found to be stable under the experimental flow conditions, or even without flow stabilization if drift kinetic stabilization is included. The stability prediction is robust against variation of the assumed resistive wall minor radius. Active magneto-hydrodynamic (MHD) spectroscopy modeling, using the magnetic coils designed for controlling the edge localized modes (ELMs) in MAST-U as the antenna, shows strong resonant field amplification due to a stable RWM response in the target plasma. Maximal amplification, of 6-7 times larger than the applied vacuum field within the plasma, is obtained assuming a coil phasing of 120-180 degrees between the upper and lower rows of the ELM control coils. The MHD-kinetic hybrid model predicts generally higher RFA than the fluid model, in particular near the low-field and high-field sides of the plasma boundary surface. Furthermore, the MARS-F/K modeling thus shows that the RWM in MAST-U is subject to strong flow and kinetic stabilization, but can nevertheless be detected by active MHD spectroscopy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Materials challenges and opportunities for quantum computing hardware

Combatting noise on the platform The potential of quantum computers to solve problems that are intractable for classical computers has driven advances in hardware fabrication. In practice, the main challenge in realizing quantum computers is that general, many-particle quantum states are highly sensitive to noise, which inevitably causes errors in quantum algorithms. Some noise sources are inherent to the current materials platforms. de Leon et al. review some of the materials challenges for five platforms for quantum computers and propose directions for their solution. Science , this issue p. eabb2823

Science & Technology - Other Topics↗
DOE OSTI2021

Radiosonde Observations of Environments Supporting Deep Moist Convection Initiation during RELAMPAGO-CACTI

The Remote Sensing of Electrification, Lightning, and Mesoscale/Microscale Processes with Adaptive Ground Observations (RELAMPAGO) and Cloud, Aerosol, and Complex Terrain Interactions (CACTI) projects deployed a high-spatiotemporal-resolution radiosonde network to examine environments supporting deep convection in the complex terrain of central Argentina. This study aims to characterize atmospheric profiles most representative of the near-cloud environment (in time and space) to identify the mesoscale ingredients affecting storm initiation and growth. Spatiotemporal autocorrelation analysis of the soundings reveals that there is considerable environmental heterogeneity, with boundary layer thermodynamic and kinematic fields becoming statistically uncorrelated on scales of 1–2 h and 30 km. Using this as guidance, we examine a variety of environmental parameters derived from soundings collected within close proximity (30 km in space and 30 min in time) of 44 events over 9 days where the atmosphere either: 1) supported the initiation of sustained precipitating convection, 2) yielded weak and short-lived precipitating convection, or 3) produced no precipitating convection in disagreement with numerical forecasts from convection-allowing models (i.e., Null events). There are large statistical differences between the Null event environments and those supporting any convective precipitation. Null event profiles contained larger convective available potential energy, but had low free-tropospheric relative humidity, higher freezing levels, and evidence of limited horizontal convergence near the terrain at low levels that likely suppressed deep convective growth. Here, we also present evidence from the radiosonde and satellite measurements that flow–terrain interactions may yield gravity wave activity that affects CI outcome.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Failure Analysis–Informed Risk Assessment Framework for Geological Carbon Storage Using Numerical Simulation and Machine Learning

Geological carbon storage (GCS) is recognized as a critical technology for achieving large-scale reductions in anthropogenic carbon dioxide (CO 2 ) emissions. Ensuring long-term containment and safety requires robust risk assessment frameworks that account for geological uncertainty and identify potential failure scenarios. Among various indicators, the area of review (AoR) serves as a key metric for evaluating storage performance, regulatory compliance, and monitoring design, as it delineates the spatial extent impacted by pressure buildup and plume migration. However, conventional AoR-based risk assessments typically perturb parameters within narrow uncertainty bounds, potentially overlooking rare but high-impact events arising from extreme geological conditions. In this study, we present a failure analysis–informed risk assessment framework for large-scale GCS projects to improve site prescreening and monitoring design. A suite of 300 numerical simulations was generated using stochastic geological models that vary five key parameters: net-to-gross ratio, anisotropy azimuth, porosity multiplier, permeability multiplier, and vertical-to-horizontal permeability ratio. Among these, 200 realizations represent normal geological uncertainty, while 100 additional cases explore extreme yet plausible conditions for failure-case analysis. The AoR was simulated and computed from pressure and CO 2 saturation fields, where the baseline AoR boundary, representing the extent predicted under typical geological uncertainty, was defined as the union of 200 normal-range simulations, and failure was identified when extreme-range cases exceeded this baseline. Results show that incorporating broader parameter uncertainty produces significantly larger AoR extents, underscoring the potential underestimation of risk under conventional uncertainty ranges. Furthermore, spatial probability maps derived from failure-induced AoR exceedance identify regions requiring enhanced monitoring attention. Various machine learning (ML)–based classifiers were developed to predict failure occurrence from geological parameters, with the random forest model achieving the highest performance (F1-score of 0.986). Consistent findings from correlation coefficient, feature importance, and Sobol sensitivity analyses reveal that low net-to-gross ratios and permeability multipliers are the dominant risk drivers, reflecting reduced reservoir connectivity and limited pressure dissipation. Altogether, these results provide a novel framework for risk-informed site prescreening and monitoring design that explicitly considers rare but high-impact geological scenarios in GCS projects.

25 ENERGY STORAGE↗
DOE OSTI2020

Impact of boundary layer simulation on predicting radioactive pollutant dispersion: a case study for HANARO Research Reactor using the WRF-MMIF-CALPUFF modeling system

Wind plays an important role in cases of unexpected radioactive pollutant dispersion, deciding distribution and concentration of the leaked substance. The accurate prediction of wind has been challenging in numerical weather prediction models, especially near the surface because of the complex interaction between turbulent flow and topographic effect. As such, in this study, we investigated the characteristics of atmospheric dispersion of radioactive material (i.e. 137 Cs) according to the simulated boundary layer around the HANARO research nuclear reactor in Korea using the Weather Research and Forecasting (WRF)-Mesoscale Model Interface (MMIF)-California Puff (CALPUFF) model system. We examined the impacts of orographic drag on wind field, stability calculation methods, and planetary boundary layer parameterizations on the dispersion of radioactive material under a radioactive leaking scenario. We found that inclusion of the orographic drag effect in the WRF model improved the wind prediction most significantly over the complex terrain area, leading the model system to estimate the radioactive concentration near the reactor more conservatively. We also emphasized the importance of the stability calculation method and employing the skillful boundary layer parameterization to ensure more accurate low atmospheric conditions, in order to simulate more feasible spatial distribution of the radioactive dispersion in leaking scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Atomic-scale manipulation of polar domain boundaries in monolayer ferroelectric In 2 Se 3

Domain boundaries have been intensively investigated in bulk ferroelectric materials and two-dimensional materials. Many methods such as electrical, mechanical and optical approaches have been utilized to probe and manipulate domain boundaries. So far most research focuses on the initial and final states of domain boundaries before and after manipulation, while the microscopic understanding of the evolution of domain boundaries remains elusive. In this paper, we report controllable manipulation of the domain boundaries in two-dimensional ferroelectric In 2 Se 3 with atomic precision using scanning tunneling microscopy. We show that the movements of the domain boundaries can be driven by the electric field from a scanning tunneling microscope tip and proceed by the collective shifting of atoms at the domain boundaries. Our density functional theory calculations reveal the energy path and evolution of the domain boundary movement. The results provide deep insight into domain boundaries in two-dimensional ferroelectric materials and will inspire inventive applications of these materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Covariant phase space with boundaries

The covariant phase space method of Iyer, Lee, Wald, and Zoupas gives an elegant way to understand the Hamiltonian dynamics of Lagrangian field theories without breaking covariance. The original literature however does not systematically treat total derivatives and boundary terms, which has led to some confusion about how exactly to apply the formalism in the presence of boundaries. In particular the original construction of the canonical Hamiltonian relies on the assumed existence of a certain boundary quantity “B”, whose physical interpretation has not been clear. We here give an algorithmic procedure for applying the covariant phase space formalism to field theories with spatial boundaries, from which the term in the Hamiltonian involving B emerges naturally. Our procedure also produces an additional boundary term, which was not present in the original literature and which so far has only appeared implicitly in specific examples, and which is already nonvanishing even in general relativity with sufficiently permissive boundary conditions. The only requirement we impose is that at solutions of the equations of motion the action is stationary modulo future/past boundary terms under arbitrary variations obeying the spatial boundary conditions; from this the symplectic structure and the Hamiltonian for any diffeomorphism that preserves the theory are unambiguously constructed. We show in examples that the Hamiltonian so constructed agrees with previous results. We also show that the Poisson bracket on covariant phase space directly coincides with the Peierls bracket, without any need for non-covariant intermediate steps, and we discuss possible implications for the entropy of dynamical black hole horizons.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Quantum simulation of an extended Dicke model with a magnetic solid

Abstract The Dicke model describes the cooperative interaction of an ensemble of two-level atoms with a single-mode photonic field and exhibits a quantum phase transition as a function of light–matter coupling strength. Extending this model by incorporating short-range atom–atom interactions makes the problem intractable but is expected to produce new physical phenomena and phases. Here, we simulate such an extended Dicke model using a crystal of ErFeO 3 , where the role of atoms (photons) is played by Er 3+ spins (Fe 3+ magnons). Through terahertz spectroscopy and magnetocaloric effect measurements as a function of temperature and magnetic field, we demonstrated the existence of a novel atomically ordered phase in addition to the superradiant and normal phases that are expected from the standard Dicke model. Further, we elucidated the nature of the phase boundaries in the temperature–magnetic-field phase diagram, identifying both first-order and second-order phase transitions. These results lay the foundation for studying multiatomic quantum optics models using well-characterized many-body solid-state systems.

Marquez Peraca, Nicolas↗
DOE OSTI2021

Dynamic Mode Decomposition of Random Pressure Fields over Bluff Bodies

Fluctuating surface pressures on a bluff body exposed to a boundary layer flow generally are characterized as a spatiotemporally varying random field. In this paper, a dynamic mode decomposition (DMD) was applied to extract dominant features embedded in these random pressure fields. Utilizing an unsupervised machine learning algorithm, spatial modes and their temporal variations were grouped into different clusters at scales, e.g., macro, meso, and micro. A proper orthogonal decomposition (POD) of the experimental data was carried out to observe commonalities and distinctive perspectives each decomposition offers. Here, a comprehensive examination of the DMD/POD for their convergence criteria, data sufficiency, and modal components analysis was conducted. The physical interpretation of the spatiotemporal pressure field based on these decomposition schemes was discussed. At different scales, the DMD modes can capture the evolution of aerodynamic features, e.g., convection of vortices (or vortex tubes) and other structures. The distribution of energy among these three broad scales also reflects an energy cascade in pressure fluctuations akin to turbulence.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

What Are the Similarities and Differences in Marine Boundary Layer Cloud and Drizzle Microphysical Properties During the ACE–ENA and MARCUS Field Campaigns?

This study compares macrophysical and microphysical properties of single-layered, liquid-dominant MBL clouds from the Measurements of Aerosols, Radiation, and Clouds over the Southern Ocean (MARCUS) (above 60°S) and the ARM East North Atlantic (ENA) site during the Aerosol and Cloud Experiments in Eastern North Atlantic (ACE-ENA) field campaign. A total of 1,136 (16.5% of clouds) and 6,034 5-min cloud samples are selected from MARCUS and ARM ENA in this study. MARCUS clouds have higher cloud-top heights, thicker cloud layers, larger liquid water path, and colder cloud temperatures than ENA. Thinner, warmer MBL clouds at ENA can contain higher layer-mean liquid water content due to higher cloud and ocean surface temperatures along with greater precipitable water vapor (PWV). MARCUS has a higher drizzle frequency rate (71.8%) than ENA (45.1%). Retrieved cloud and drizzle microphysical properties from each field campaign show key differences. MARCUS clouds feature smaller cloud droplets, whereas ENA clouds have larger cloud droplets, especially at the upper region of the cloud. From cloud top to cloud base, drizzle drop sizes increase while number concentrations decrease. Drizzle drop radius and number concentration decrease from cloud base to drizzle base due to net evaporation, and MARCUS' lower specific humidity leads to a higher drizzle base than ENA. In conclusion, the broader surface pressure and lower tropospheric stability (LTS) distributions during MARCUS have demonstrated that there are different synoptic patterns for selected cases during MARCUS with less PWV, while ENA is dominated by high pressure systems with nearly doubled PWV.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Double brane holographic model dual to 2d ICFTs

A minimal single brane holographic model can be used as a dual to 2d conformal interfaces (ICFTs) to calculate the transmission coefficient T of energy transported across the defect as well as boundary entropy log g, the additional entanglement entropy for some sub-region that encloses the defect. Both T and log g are uniquely determined by the tension characterizing the brane. In contrast, in field theory defects typically the transmission coefficient can be dialed from 0 to 1 independently for each allowed value of log g. To address this discrepancy, we look at a double brane (3-region bulk) holographic model. Merger of two single brane interfaces creates genuinely new interfaces which indeed allow a range of accessible transmission coefficients for a fixed value of log g. In particular, the T = 0 limit of two completely decoupled BCFTs can be achieved.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗