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DOE OSTI2026

Equilibrium and non-equilibrium effects in high pressure phase transformations of carbon

The behavior of carbon in the range 1–100 GPa and 1–10 kK is central to problems in planetary interiors, inertial confinement fusion targets, and high-pressure synthesis of carbon-based materials, but experiments in this regime are difficult and often provide only indirect constraints on phase behavior. As a result, phase boundary loci, structure, and limits of metastability at high pressure remain uncertain. In this work, machine-learning enhanced atomistic simulations are used to address this knowledge gap. We determine the melt line up to 100 GPa, the graphite-diamond phase boundary up to the melt line, and analyze structure of the coexisting phases. We show that the coexisting liquid evolves smoothly with pressure without evidence for a first-order liquid–liquid transition. Orientation-resolved graphite melting simulations indicate that basal-plane interfaces develop a dewetting layer and undergo layer-by-layer melting, producing kinetic hysteresis and an apparent orientation dependence of the melt line. Non-equilibrium quenches from the melt are used to construct a kinetically limiting graphite–diamond phase boundary for rapid quenches from above the melt line, and show that graphite is metastable at pressures of up to ≈ 25 GPa. These results provide bounds on equilibrium and metastable behavior in carbon relevant for interpreting high-pressure experiments and for designing synthesis pathways to specific carbon microstructures.

Lyu, Yanjun [Department of Materials Science and E↗

NASA NTRSDate not supplied

Mesh Deformation Boundary Conditions for Three-Dimensional Ablation Solvers

A method for determining boundary node displacements for three-dimensional ablation solvers is developed. The approach is applicable to a wide range of mesh motion algorithms used to determine internal node displacements. The method leverages radial basis functions to analytically define the geometry to which the boundary nodes should be constrained. Constrained optimization, elasticity, and spring analogy solvers are utilized to redistribute the nodes on the evolved geometry surface while maintaining mesh quality. The method is implemented in the CHarring Ablator Response (CHAR) code, and a realistic demonstration case is presented on the Boundary Layer Transition (BOLT) flight experiment configuration. The method is shown to be robust for highly-curved geometries with large domain deformations.

Adam J Amar↗

NASA NTRS1985

Evolution of a curved vortex filament into a vortex ring

The deformation of a hairpin-shaped vortex filament under self-induction and in the presence of shear is studied numerically using the Biot-Savart law. It is shown that the tip region of an elongated hairpin vortex evolves into a vortex ring and that the presence of mean shear impedes the process. Evolution of a finite-thickness vortex sheet under self-induction is also investigated using the Navier-Stokes equations. The layer evolves into a hairpin vortex which in turn produces a vortex ring of high Reynolds stress content. These results indicate a mechanism for the generation of ring vortices in turbulent shear flows, and a link between the experimental and numerical observation of hairpin vortices and the observation of ring vortices in the outer regions of turbulent boundary layers.

Moin, P.↗

NASA NTRS1986

Evolution of a curved vortex filament into a vortex ring

Moin, P.↗

NASA NTRS1994

Auroral activity associated with Kelvin-Helmholtz instability at the inner edge of the low-latitude boundary layer

Auroral activity occurred in the late afternoon sector (approx. 16 MLT) in the northern hemisphere during the passage at Earth of an interplanetary magnetic cloud on January 14, 1988. The auroral activity consisted of a very dynamic display which was preceded and followed by quiet auroral displays. During the quiet displays, discrete rayed arcs aligned along the geomagnetic L shells were observed. In the active stage, rapidly evolving spiral forms centered on magnetic zenith were evident. The activity persisted for many minutes and was characterized by the absence of directed motion. They were strongly suggestive of intense filaments of upward field-aligned currents embedded in the large-scale region 1 current system. Distortions of the flux ropes as they connect from the equatorial magnetosphere to the ionosphere were witnessed. We assess as possible generating mechanisms three nonlocal sources known to be associated with field-aligned currents. Of these, partial compressions of the magnetosphere due to variations of solar wind dynamic pressure seem an unlikely source. The possibility that the auroral forms are due to reconnection is investigated but is excluded because the active aurora were observed on the closed field line region just equatorward of the convection reversal boundary. To support this conclusion further, we apply recent results on the mapping of ionospheric regions to the equatorial plane based on the Tsyganenko 1989 model (Kaufmann et al., 1993). We find that for comparable magnetic activity the aurora map to the equatorial plane at X(sub GSM) = approx. 3 R(sub E) and approx. 2 R(sub E) inward of the magnetopause, that is, the inner edge of the boundary layer close to dusk. Since the auroral forms are manifestly associated with magnetic field shear, a vortical motion at the equatorial end of the flux rope is indicated, making the Kelvin-Helmholtz instability acting at the inner edge of the low-latitude boundary layer the most probable generating source.

Farrugia, C. J.↗

NASA NTRS2015

A-Train Based Observational Metrics for Model Evaluation in Extratropical Cyclones

Extratropical cyclones contribute most of the precipitation in the midlatitudes, i.e. up to 70 during winter in the northern hemisphere, and can generate flooding, extreme winds, blizzards and have large socio-economic impacts. As such, it is important that general circulation models (GCMs) accurately represent these systems so their evolution in a warming climate can be understood. However, there are still uncertainties on whether warming will increase their frequency of occurrence, their intensity and how much rain or snow they bring. Part of the issue is that models have trouble representing their strength, but models also have biases in the amount of clouds and precipitation they produce. This is caused by potential issues in various aspects of the models: convection, boundary layer, and cloud scheme to only mention a few. In order to pinpoint which aspects of the models need improvement for a better representation of extratropical cyclone precipitation and cloudiness, we will present A-train based observational metrics: cyclone-centered, warm and cold frontal composites of cloud amount and type, precipitation rate and frequency of occurrence. Using the same method to extract similar fields from the model, we will present an evaluation of the GISS-ModelE2 and the IPSL-LMDZ-5B models, based on their AR5 and more recent versions. The AR5 version of the GISS model underestimates cloud cover in extratropical cyclones while the IPSL AR5 version overestimates it. In addition, we will show how the observed CloudSat-CALIPSO cloud vertical distribution across cold fronts changes with moisture amount and cyclone strength, and test if the two models successfully represent these changes. We will also show how CloudSat-CALIPSO derived cloud type (i.e. convective vs. stratiform) evolves across warm fronts as cyclones age, and again how this is represented in the models. Our third process-based analysis concerns cumulus clouds in the post-cold frontal region and how their amount relates to the stability of the boundary layer. This test uses Aqua cloud and vertical atmospheric profiles and when applied to the model output can help assess the accuracy of the convection, boundary layer and cloud scheme.

Convection clouds↗

DOE OSTI2026

Irradiation-Induced Structural Disorder and Its Influence on the Mechanical Response of Polycrystalline MoS2

Molybdenum disulfide (MoS2) thin films are widely used as dry-film lubricants and protective coatings in aerospace and other radiation-exposed environments. Conventional synthesis routes produce polycrystalline films whose grain boundaries and other native defects cause their mechanical and tribological behavior to differ substantially from that of ideal single crystals. Under irradiation, these films progressively evolve from polycrystalline structures, composed of layered MoS2 grains, into highly disordered and eventually amorphous structures, altering both their tribological performance and mechanical integrity. Here, we employ reactive atomistic simulations to investigate irradiation-driven structural evolution in bulk polycrystalline MoS2. Using controlled primary knock-on atom (PKA) events, we characterize the progressive transition from a polycrystalline microstructure to an amorphous network by tracking defect accumulation and structural disorder. We then establish how this transition modifies the dominant deformation mechanisms and the temperature-dependent tensile response. Specifically, irradiation suppresses interlayer sliding and delamination, mechanisms which facilitate the deformation of the pristine polycrystal, resulting in defect-induced hardening. Broadly, our results establish direct process–structure–property relationships linking irradiation-induced defect accumulation, microstructural evolution, deformation mechanisms, and mechanical behavior, providing an atomistic framework for understanding the structural integrity and long-term reliability of irradiated MoS2 coatings.

Moore, Daniel [Sandia National Laboratories (SNL)]↗

NASA NTRS1994

Direct simulation of a self-similar plane wake

Direct simulations of two time-developing turbulent wakes have been performed. Initial conditions for the simulations were obtained from two realizations of a direct simulation of a turbulent boundary layer at momentum thickness Reynolds number 670. In addition, extra two dimensional disturbances were added in one of the cases to mimic two dimensional forcing. The unforced wake is allowed to evolve long enough to attain self similarity. The mass-flux Reynolds number (equivalent to the momentum thickness Reynolds number in spatially developing wakes) is 2000, which is high enough for a short k(exp -5/3) range to be evident in the streamwise one dimensional velocity spectrum. Several turbulence statistics have been computed by averaging in space and over the self-similar period in time. The growth rate in the unforced flow is low compared to experiments, but when this growth-rate difference is accounted for, the statistics of the unforced case are in reasonable agreement with experiments. However, the forced case is significantly different. The growth rate, turbulence Reynolds number, and turbulence intensities are as much as ten times larger in the forced case. In addition, the forced flow exhibits large-scale structures similar to those observed in transitional wakes, while the unforced flow does not.

Moser, Robert D.↗

NASA NTRS1993

Applying and validating the RANS-3D flow-solver for evaluating a subsonic serpentine diffuser geometry

Subsonic inlet ducts for advanced, high-performance aircraft are evolving towards complex three-dimensional shapes for reasons of overall integration and weight. These factors lead to diffuser geometries that may sacrifice inlet performance, unless careful attention to design details and boundary layer management techniques are employed. The ability of viscous computational fluid dynamic (CFD) analysis of such geometries to aid the aircraft configurator in this complex design problem is herein examined. The RANS-3D Reynolds-Averaged Navier-Stokes solver is applied to model the complex flowfield occurring in a representative diffuser geometry and the solutions are compared to experimental results from a static test of the inlet duct. The computational results are shown to compare very favorably with experimental results over a range of mass flow rates, including those involving large amounts of separation in the diffuser. In addition, a novel grid topology is presented, and two turbulence models are evaluated in this study as part of the RANS-3D code.

Fletcher, Michael J.↗

DOE OSTI2024

Asynchronicity in opposed-piston RCMs: Does it matter?

Rapid Compression Machines (RCMs) are widely utilized to study combustion phenomena at engine-relevant conditions, and significant efforts are typically made to create a quiescent environment, particularly for investigations of autoignition chemistry. Opposed-piston configurations can be advantageous due to shorter compression times and reduced surface area to volume ratios. Each side must be actuated simultaneously, but this can be challenging in practice. These devices, like most RCMs, utilize hydraulics for actuation, speed control and arrestation of the piston at the end of the stroke; there is no mechanical control or linkage of the two piston trajectories. To quantify the magnitudes and effects of piston asynchronous behavior, this work employs both detailed experimental measurements and, for the first time, high-fidelity, Direct Numerical Simulation (DNS). The boundary conditions are carefully considered applying insight from high-resolution linear variable differential transformer (LVDT) measurements of the piston trajectory and a zero-dimensional kinematics model of the piston-shaft assembly. Sufficient resolution in the piston crevice region is used. The complicated fluid dynamical behavior that can evolve during piston compression and the ensuing delay processes due to offset timings from t offset = 0-10 ms is elucidated. It is found that near t offset = 6 ms and beyond, the boundary layer on the face of the first-seating piston can be sufficiently perturbed, due initially to reemergence of gas from the crevice of the firstseating piston, so that the adiabatic core can become degraded at long ignition delay times. Substantial mixing of colder gas into the interior of the reaction chamber can alter the measurements, similar to effects previously observed for improper piston crevice configuration. In conclusion, experimental techniques to mitigate asynchronous behavior are discussed and demonstrated.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1994

Direct simulation of a self-similar plane wake

Direct simulations of two time-developing turbulent wakes have been performed. Initial conditions for the simulations were obtained from two realizations of a direct simulation of a turbulent boundary layer at momentum thickness Reynolds number 670. In addition, extra two-dimensional disturbances were added in one of the cases to mimic two-dimensional forcing. The unforced wake is allowed to evolve long enough to attain self-similarity. The mass-flux Reynolds number (equivalent to the momentum thickness Reynolds number in spatially developing wakes) is 2000, which is high enough for a short kappa(exp -5/3) range to be evident in the streamwise one-dimensional velocity spectrum. Several turbulence statistics have been computed by averaging in space and over the self-similar period in time. The growth rate in the unforced flow is low compared to experiments, but when this growth-rate difference is accounted for, the statistics of the unforced case are in reasonable agreement with experiments. However, the forced case is significantly different. The growth rate, turbulence Reynolds number, and turbulence intensities are as much as ten times larger in the forced case. In addition, the forced flow exhibits large-scale structures similar to those observed in transitional wakes, while the unforced flow does not.

Moser, Robert D.↗

NASA NTRSDate not supplied

Automated Tracking of Shallow Maritime Clouds on Geostationary Imagery to Extract Lifecycle Characteristics

Shallow moist convection is ubiquitous throughout the tropics and represents a key player in boundary layer processes. Satellites have provided many statistics on shallow clouds, such as size, structure, and geographical coverage, from static views of recurring cloud fields. But determining why certain cloud features appear and persist for different periods requires a time-evolving view of their behaviors. Geostationary satellites provide a unique opportunity to follow the time evolution of individual convective features, given their enhanced spatial and temporal sampling. A cloud-tracking tool was developed to identify properties of cloud lifecycle from the NASA Cloud, Aerosol, and Monsoon Processes Philippines Experiment (CAMP2EX) field campaign of 2019. The mission conducted intensive sampling of shallow cumulus in the West Pacific Ocean, in tandem with Rapid Scan imagery from the Advanced Himawari Imager (AHI) on the Japan Meteorological Agency’s (JMA) Himawari-8 satellite. Shallow cumulus was segmented according to thresholds in 0.5-km visible reflectance and with blurring techniques. Despite being limited to daytime hours, the segmentations yielded the best resolution possible for capturing cloud initiation and decay. The tracking procedure is based on a computer vision package that includes Kalman filters for motion prediction, object overlap search, and the Hungarian (or Kuhn-Munkres) matching algorithm for track designation. AHI radiances available within the tracked cloud boundaries are assembled to form individual spectral histories. The resulting catalog provides thousands of cloud histories for domains measuring only a few degrees in latitude and longitude. We present an overview of the cloud-tracking tool, strategies to identify development stages from cloud tracks, and preliminary results that document cumulus lifecycle properties from satellite. The application of AHI 0.5-km reflectance has both strengths and limitations when attempting to track lifecycles of the smallest resolvable clouds. We show that by aggregating cloud tracks from a few case studies of CAMP2EX, we can discern differences in cloud lifetime and development according to ensembles selected from areas of interest. The results demonstrate an ability to quantify lifetimes and assess rates of change in cloud characteristics that are likely controlled by the surrounding environment and meteorology.

Cloud Tracking↗

NASA NTRSDate not supplied

Automated Tracking of Shallow Maritime Clouds on Geostationary Imagery to Extract Lifecycle Characteristics

Shallow moist convection is ubiquitous throughout the tropics and represents a key player in boundary layer processes. Satellites have provided valuable insight on shallow clouds, such as size, structure, and geographical coverage, from static views of recurring cloud fields. But determining why certain cloud features appear and persist for different periods requires a time-evolving view of their behaviors. Geostationary satellites provide a unique opportunity to follow the time evolution of individual convective features, given their enhanced spatial and temporal sampling. A cloud-tracking tool was developed to identify properties of cloud lifecycle from the NASA Cloud, Aerosol, and Monsoon Processes Philippines Experiment (CAMP2EX) field campaign of 2019. The mission conducted intensive sampling of shallow cumulus in the West Pacific Ocean, in tandem with Rapid Scan imagery from the Advanced Himawari Imager (AHI) on the Japan Meteorological Agency’s (JMA) Himawari-8 satellite. Shallow cumulus were segmented according to thresholds in 0.5-km visible reflectance and with blurring techniques. Despite being limited to daytime hours, the segmentations yielded the best resolution available for capturing cloud initiation, growth, and decay. The tracking procedure is based on a computer vision package that includes Kalman filters for motion prediction, object overlap search, and the Hungarian (or Kuhn-Munkres) matching algorithm for track designation. AHI radiances available within the tracked cloud boundaries are assembled to form individual spectral histories. The resulting catalog provides thousands of cloud histories for domains measuring only a few degrees in latitude and longitude. We present an overview of the cloud-tracking tool and its results for cloud fields sampled throughout CAMP2EX by the airborne P-3. Cloud tracks were selected from about 10 flights to form ensembles, specific groups of tracks occurring in a region with airborne sampling. Cloud lifecycle properties, including duration and maximum area, are calculated for all ensemble members, and analyzed for cloud behavior and P-3 coincidences. By following this strategy, we quantitatively assess the degree of airborne sampling for specific cloud classes defined by the lifecycle calculations. We can summarize which cloud classes had more sampling, the stage of development during sampling, and general differences in character (e.g., isolated congestus vs. cold-pool producer).

Cloud Tracking↗

NASA NTRS1994

Multiwavelength search for protoplanetary disks

Infrared emission of circumstellar dust was observed for almost one hundred T Tauri stars. This dust is interpreted to be part of a protoplanetary disk orbiting the central star. T Tauri stars are young stellar objects and evolve into solar type stars. Planets are believed to form in these disks. The spectral energy distribution of a disk depends on its temperature profile. Different disk regions emit at different wavelengths. The disk-star boundary layer is hot and emits H(alpha) radiation. Inner disk regions at around 1 AU with a temperature of a few hundred Kelvin can be probed in near infrared wavelength regimes. Outer disk regions at around 100 AU distance from the star are colder and emit far infrared and sub-millimeter radiation. Also, X-ray emission from the stellar surface can reveal information on disk properties. Emission from the stellar surface and the boundary layer may be shielded by circumstellar gas and dust. T Tauri stars with low H(alpha) emission, i.e. no boundary layer, show stronger X-ray emission than classical T Tauri stars, because the inner disk regions of weak emission-line T Tauri stars may be clear of material. In this paper, first ROSAT all sky survey results on the X-ray emission of T Tauri stars and correlations between X-ray luminosity and properties of T Tauri disks are presented. Due to atmospheric absorption, X-ray and most infrared observations cannot be carried out on Earth, but from Earth orbiting satellites (e.g. IRAS, ROSAT, ISO) or from lunar based observatories, which would have special advantages such as a stable environment.

Neuhaeuser, Ralph↗

NASA NTRS1978

The characteristics of evolving mesoscale systems over mountainous terrain as revealed by radar and PAM

The paper deals with measurements made within the South Park area (which is located near Denver, Colorado, and is a natural genesis area for cumulus clouds) in July and August 1977, using powered aircraft, sailplanes, rawinsondes, boundary layer profilers, acoustic sounders, micrometeorological towers, lidar, research radar, triple-Doppler radar, and a square grid of surface meteorological stations. Extensive analysis revealed a very complex picture of thunderstorm-scale, large-mesoscale, and synoptic-scale interactions.

George, R. L.↗

NASA NTRS1988

Time-accurate simulations of a shear layer forced at a single frequency

Calculations are presented for the forced shear layer studied experimentally by Oster and Wygnanski, and Weisbrot. Two different computational approaches are examined: Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). The DNS approach solves the full three dimensional Navier-Stokes equations for a temporally evolving mixing layer, while the LES approach solves the two dimensional Navier-Stokes equations with a subgrid scale turbulence model. While the comparison between these calculations and experimental data was hampered by a lack of information on the inflow boundary conditions, the calculations are shown to qualitatively agree with several aspects of the experiment. The sensitivity of these calculations to factors such as mesh refinement and Reynolds number is illustrated.

Claus, R. W.↗

NASA NTRS2016

On the Evolution of the Inner Disk Radius with Flux in the Neutron Star Low-mass X-Ray Binary Serpens X-1

We analyze the latest Suzaku observation of the bright neutron star (NS) low-mass X-ray binary Serpens X-1 taken in 2013 October and 2014 April. The observation was taken using the burst mode and only suffered mild pile-up effects. A broad iron line is clearly detected in the X-ray spectrum. We test different models and find that the iron line is asymmetric and best interpreted by relativistic reflection. The relativistically broadened iron line is generally believed to originate from the innermost regions of the accretion disk, where strong gravity causes a series of special and general relativistic effects. The iron line profile indicates an inner radius of approx. 8 R(sub G), which gives an upper limit on the size of the NS. The asymmetric iron line has been observed in a number of previous observations, which gives several inner radius measurements at different flux states. We find that the inner radius of Serpens X-1 does not evolve significantly over the range of L/L(sub Edd) approx. 0.4-0.6, and the lack of flux dependence of the inner radius implies that the accretion disk may be truncated outside of the innermost stable circular orbit by the boundary layer, rather than the stellar magnetic field.

accretion disks↗

NASA NTRS1986

Diatoms in comets

The fossil record of the microscopic algae classified as diatoms suggests they were injected to earth at the Cretaceous boundary. Not only could diatoms remain viable in the cometary environment, but also many species might replicate in illuminated surface layers or early interior layers of cometary ice. Presumably they reached the solar system on an interstellar comet as an already-evolved assemblage of organisms. Diatoms might cause color changes to comet nuclei while their outgassing decays and revives around highly elliptical orbits. Just as for interstellar absorption, high-resolution IR observations are capable of distinguishing whether the 10-micron feature arises from siliceous diatom material or mineral silicates. The 10-30-micron band and the UV 220-nm region can also provide evidence of biological material.

Hoover, R.↗