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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 721 records · Page 40
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NASA NTRS1979

Some TEM observations of Al2O3 scales formed on NiCrAl alloys

The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids were observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. The voids resulted from an excess number of oxygen vacancies near the oxidemetal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidation of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al, Cr)2O3 and Ni(Al, Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationship between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

Smialek, J.↗
NASA NTRS1979

Some TEM observations of Al2O3 scales formed on NiCrAl alloys

The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids have been observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. It was postulated that the voids resulted from an excess number of oxygen vacancies near the oxide-metal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidations of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al,Cr)2O3 and Ni(Al,Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationships between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

Smialek, J.↗
DOE OSTI2025

A Practical Framework for Simulating Time-Resolved Spectroscopy Based on a Real-Time Dyson Expansion

Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on subfemtosecond time scales. The interpretation of experimental results is often enhanced by parallel numerical studies, which can provide insight and validation for experimental hypotheses. However, developing a theoretical framework for simulating time-resolved spectra remains a significant challenge. The most suitable approach involves the many-body nonequilibrium Green's function formalism, which accounts for crucial dynamical many-body correlations during time evolution. While these dynamical correlations are essential for observing emergent behavior in time-resolved spectra, they also render the formalism prohibitively expensive for large-scale simulations. Substantial effort has been devoted to reducing this computational cost─through approximations and numerical techniques─while preserving the key dynamical correlations. The ultimate goal is to enable first-principles simulations of time-dependent systems ranging from small molecules to large, periodic, multidimensional solids. Here, in this perspective, we outline key challenges in developing practical simulations for time-resolved spectroscopy, with a particular focus on Green's function methodologies. We highlight a recent advancement toward a scalable framework: the real-time Dyson expansion (RT-DE) [Phys. Rev. Lett. 2024, 133, 226902]. We introduce the theoretical foundation of RT-DE and discuss strategies for improving scalability, which have already enabled simulations of system sizes beyond the reach of previous fully dynamical approaches. We conclude with an outlook on future directions for extending RT-DE to first-principles studies of dynamically correlated, nonequilibrium systems.

Reeves, Cian C. [Univ. of California, Santa Barbar↗
NASA NTRS2007

Influences of Local Sea-Surface Temperatures and Large-scale Dynamics on Monthly Precipitation Inferred from Two 10-year GCM-Simulations

Two parallel sets of 10-year long: January 1, 1982 to December 31, 1991, simulations were made with the finite volume General Circulation Model (fvGCM) in which the model integrations were forced with prescribed sea-surface temperature fields (SSTs) available as two separate SST-datasets. One dataset contained naturally varying monthly SSTs for the chosen period, and the oth& had the 12-monthly mean SSTs for the same period. Plots of evaporation, precipitation, and atmosphere-column moisture convergence, binned by l C SST intervals show that except for the tropics, the precipitation is more strongly constrained by large-scale dynamics as opposed to local SST. Binning data by SST naturally provided an ensemble average of data contributed from disparate locations with same SST; such averages could be expected to mitigate all location related influences. However, the plots revealed: i) evaporation, vertical velocity, and precipitation are very robust and remarkably similar for each of the two simulations and even for the data from 1987-ENSO-year simulation; ii) while the evaporation increased monotonically with SST up to about 27 C, the precipitation did not; iii) precipitation correlated much better with the column vertical velocity as opposed to SST suggesting that the influence of dynamical circulation including non-local SSTs is stronger than local-SSTs. The precipitation fields were doubly binned with respect to SST and boundary-layer mass and/or moisture convergence. The analysis discerned the rate of change of precipitation with local SST as a sum of partial derivative of precipitation with local SST plus partial derivative of precipitation with boundary layer moisture convergence multiplied by the rate of change of boundary-layer moisture convergence with SST (see Eqn. 3 of Section 4.5). This analysis is mathematically rigorous as well as provides a quantitative measure of the influence of local SST on the local precipitation. The results were recast to examine the dependence of local rainfall on local SSTs; it was discernible only in the tropics. Our methodology can be used for computing relationship between any forcing function and its effect(s) on a chosen field.

Sud, Y. C.↗
DOE OSTI2020

PREEMPT: Scalable Epidemic Interventions Using Submodular Optimization on Multi-GPU Systems

Preventing and slowing the spread of epidemics is achieved through techniques such as vaccination and social distancing. Given practical limitations on the number of vaccines and cost of administration, optimization becomes a necessity. Previous approaches using mathematical programming methods have shown to be effective but are limited by computational costs. In this work, we make several contributions: First, we present a new approach for intervention via maximizing the influence of vaccinated nodes on the network. We call this method \preempt. Next, we prove submodular properties associated with the objective function of our method so that it aids in construction of an efficient greedy approximation strategy. Consequently, we present a new parallel algorithm based on greedy hill climbing for \preempt, and present an efficient parallel implementation for distributed CPU-GPU heterogeneous platforms. Our results demonstrate that \preempt{} is able to achieve a significant reduction (up to 6.75$\times$) in the percentage of people infected on a city-scale network. We also show strong scaling results of \preempt{} on 128 nodes of the Summit supercomputer. Our parallel implementation is able to significantly reduce time to solution, from hours to minutes on large networks. This work represents a first-of-its-kind effort in parallelizing greedy hill climbing and applying it toward devising effective interventions for epidemics.

Minutoli, Marco↗
NASA NTRS2015

Development of a Grid-Independent Geos-Chem Chemical Transport Model (v9-02) as an Atmospheric Chemistry Module for Earth System Models

The GEOS-Chem global chemical transport model (CTM), used by a large atmospheric chemistry research community, has been re-engineered to also serve as an atmospheric chemistry module for Earth system models (ESMs). This was done using an Earth System Modeling Framework (ESMF) interface that operates independently of the GEOSChem scientific code, permitting the exact same GEOSChem code to be used as an ESM module or as a standalone CTM. In this manner, the continual stream of updates contributed by the CTM user community is automatically passed on to the ESM module, which remains state of science and referenced to the latest version of the standard GEOS-Chem CTM. A major step in this re-engineering was to make GEOS-Chem grid independent, i.e., capable of using any geophysical grid specified at run time. GEOS-Chem data sockets were also created for communication between modules and with external ESM code. The grid-independent, ESMF-compatible GEOS-Chem is now the standard version of the GEOS-Chem CTM. It has been implemented as an atmospheric chemistry module into the NASA GEOS- 5 ESM. The coupled GEOS-5-GEOS-Chem system was tested for scalability and performance with a tropospheric oxidant-aerosol simulation (120 coupled species, 66 transported tracers) using 48-240 cores and message-passing interface (MPI) distributed-memory parallelization. Numerical experiments demonstrate that the GEOS-Chem chemistry module scales efficiently for the number of cores tested, with no degradation as the number of cores increases. Although inclusion of atmospheric chemistry in ESMs is computationally expensive, the excellent scalability of the chemistry module means that the relative cost goes down with increasing number of cores in a massively parallel environment.

CTM↗
DOE OSTI2024

Development of a half-meter scale Traveling-Wave (TW) SRF cavity

Traveling-wave technology can push the accelerator field gradient of niobium SRF cavity to 70MV/m or higher beyond the fundamental limit of 50~60MV/m in Standing-Wave regime. The 1st demonstration of TW resonance excitation in a proof-of-principle 3-cell SRF cavity in 2K liquid helium was successfully carried out at Fermilab in collaboration with Euclid Techlabs. In parallel with that, the RF design process of 0.5~1 meter scale TW cavity was begun at Fermilab for advancing TW technologies necessary more for future accelerator-scale one. Considering the physical dimensions of existing SRF facilities (for fabrication, processing, and cryogenic testing) and the lessons learned from the 3-cell, Fermilab has proposed a preliminary RF design of a half-meter scale TW SRF cavity. It consists of a 7-cell structure and a power feedback waveguide (WG) loop with new RF configurations to control TW resonance. Here we report a preliminary RF design, development plans, and activities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Comparative Analysis of Radial and Random Microstructures of Mesophase Pitch Carbon Fibers

Carbon fibers (CF) with radial and random microstructures are produced. Here, these fibers are subjected to identical treatment before being mechanically tested and analyzed with Weibull analysis, with the results revealing a statistically significant difference in tensile strengths of 2.23 GPa for random CF and 1.69 GPa for radial CF. Raman mapping probed the crystalline structure perpendicular to the fiber axis and found a uniform structure, while wide‐angle X‐ray diffraction showed a significant difference of 7.5 Å in the crystallites’ basal lengths parallel to the fiber. Small‐angle X‐ray scattering is completed parallel to the fiber for the first time. A cross‐section Guinier plot of the 1D azimuthal integration is generated assuming symmetric scattering, and the parallel scatterers are found to have a similar length scale to the crystallite's length, validating the testing method. Finally, transmission electron microscopy is completed on the longitudinal cross‐section of each fiber. The radial carbon fiber is found to have a core–shell structure, as evidenced further by fast Fourier transform images. Through all studies, it is shown that the structure developed during mesophase pitch spinning altered the microstructure, thus impacting the mechanical properties, confirming a direct relationship between processing, structure, and properties.

Scherschel, Alexander [Univ. of Virginia, Charlott↗
DOE OSTI2021

Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities

Here, we present a framework for calibration of parameters in elastoplastic constitutive models that is based on the use of automatic differentiation (AD). The model calibration problem is posed as a partial differential equation-constrained optimization problem where a finite element (FE) model of the coupled equilibrium equation and constitutive model evolution equations serves as the constraint. The objective function quantifies the mismatch between the displacement predicted by the FE model and full-field digital image correlation data, and the optimization problem is solved using gradient-based optimization algorithms. Forward and adjoint sensitivities are used to compute the gradient at considerably less cost than its calculation from finite difference approximations. Through the use of AD, we need only to write the constraints in terms of AD objects, where all of the derivatives required for the forward and inverse problems are obtained by appropriately seeding and evaluating these quantities. We present three numerical examples that verify the correctness of the gradient, demonstrate the AD approach's parallel computation capabilities via application to a large-scale FE model, and highlight the formulation's ease of extensibility to other classes of constitutive models.

42 ENGINEERING↗
DOE OSTI2020

Flattening of the tokamak current profile by a fast magnetic reconnection with implications for the solar corona

During tokamak disruptions, the profile of the net parallel current is observed to flatten on a time scale that is so fast that it must be due to a fast magnetic reconnection. After a fast magnetic reconnection has broken magnetic surfaces, a single magnetic field line covers an entire volume and not just a magnetic surface. The current profile, given by K ≡ μ 0 j | | / B , relaxes to a constant within that volume by Alfven waves propagating along the chaotic magnetic field lines. The time scale for this relaxation determines the commonly observed disruption phenomena of a current spike and a sudden drop in the plasma internal inductance. An efficient method for studying this relaxation is derived, which allows a better understanding of the information encoded in the current spike and the associated sudden drop in the plasma internal inductance. Implications for coronal heating are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Similarity for downscaled kinetic simulations of electrostatic plasmas: Reconciling the large system size with small Debye length

A simple similarity has been proposed for kinetic (e.g., particle-in-cell) simulations of plasma transport that can effectively address the long-standing challenge of reconciling the tiny Debye length with the vast system size. This applies to both transport in unmagnetized plasma and parallel transport in magnetized plasmas, where the characteristics length scales are given by the Debye length, collisional mean free paths, and the system or gradient lengths. The controlled scaled variables are the configuration space, x/L, and an artificial Coulomb Logarithm, L ln Λ, for collisions, while the scaled time, t/L, and electric field, LE, are automatic outcomes. The similarity properties are examined, demonstrating that the macroscopic transport physics is preserved through a similarity transformation while keeping the microscopic physics at its original scale of Debye length. To showcase the utility of this approach, two examples of 1D plasma transport problems were simulated using the VPIC code: the plasma thermal quench in tokamaks [Li et al., Nuclear Fusion 63, 066030 (2023)] and the plasma sheath in the high-recycling regime [Li et al., Physics of Plasmas 30, 063505 (2023)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

New scaling and nuclear structure aspects in heavy-ion fusion reactions

Three new behaviors have been found in comparisons of fusion cross sections for different collision systems. root (1) Replacing the energy E with a scaling one, E scal = (E-V g )/($\sqrt{2}$W g ), is successful for washing out the Coulomb interaction in the spectra of fusion cross sections, where V g and W g are barrier height and width of the single-Gaussian barrier distribution model. (2) In a representation of σE vs the scaling energy, E scal , all data sets display in parallel. Here, the ratio for sigma E from any two fusion systems over the whole range is a constant value. That behavior is also studied in another representation, in which the data sets display as parallel horizontal lines for any heavy-ion fusion system. (3) The constant ratio value is the ratio of parameter products, $R^2_gW_g$, of the two systems; where R g is the barrier radius obtained in the single-Gaussian barrier distribution model. Moreover, when comparing neighboring collision systems at the same E scal , the ratio of sigma is near a constant value within a few percent over the whole range. Thus a quantitative comparison for the fusion enhancement for neighboring systems is developed. The present finding could be beneficial for predicting unmeasured fusion cross sections.

Jiang, C. L. [Argonne National Laboratory (ANL), A↗
DOE OSTI2021

Oineus v1.0

A library for multi-threaded computation of persistence diagrams. The algorithm for computing persistence diagrams in a lock-free manner was published in the 'Towards Lock-free Persistent Homology' (D. Morozov, A. Nigmetov, Brief Announcement: SPAA 2020); it scales better than the only other shared-memory parallel implementation of persistent homology computation PHAT. Library includes python bindings to compute persistence diagrams and their vectorizations for lower-star filtrations on grid data. It is intended to be used by scientists working on Topological Data Analysis and its applications in different areas.

Nigmetov, Arnur↗
NASA NTRS1974

Boundary and object detection in real world images

A solution to the problem of automatic location of objects in digital pictures by computer is presented. A self-scaling local edge detector which can be applied in parallel on a picture is described. Clustering algorithms and boundary following algorithms which are sequential in nature process the edge data to locate images of objects.

Yakimovsky, Y.↗
NASA NTRS1974

A photographic study of flow condensation in 1-g and zero-gravity environments

The test articles investigated include two full-scale radiator/condenser panels and a system of three parallel-connected fused quartz tubes. Testing was performed initially on the ground, with both horizontal and inclined flow passage orientations, and additionally in an aircraft flying 0-g trajectories. The photographic observations were made with two high speed cameras and a low speed camera. The flow regimes observed are compared with those predicted by the Baker chart (1954). The Baker chart is well in accord with physical reality in the annular flow region. However, a stratified-annular flow regime observed has no counterpart in the Baker categorization.

Keshock, E. G.↗
NASA NTRS1981

Spherical harmonic representation of the main geomagnetic field for world charting and investigations of some fundamental problems of physics and geophysics

Quiet-day data from MAGSAT were examined for effects which might test the validity of Maxwell's equations. Both external and toroidal fields which might represent a violation of the equations appear to exist, well within the associated errors. The external field might be associated with the ring current, and varies of a time-scale of one day or less. Its orientation is parallel to the geomagnetic dipole. The toriodal field can be confused with an orientation in error (in yaw). It the toroidal field really exists, its can be related to either ionospheric currents, or to toroidal fields in the Earth's core in accordance with Einstein's unified field theory, or to both.

Barraclough, D. R.↗
NASA NTRS1983

Transient brightenings of interconnecting loops. III Interpretation

Two alternative interpretations of the sudden X-ray brightenings observed in loops that interconnect active regions are presented. A fast tearing mode may be excited in those newly formed interconnecting loops within which sufficient magnetic free energy is stored to drive the mode. Alternatively, anomalous Joule heating driven by an inductive electric field parallel to the magnetic field, varying on a time scale of order of a minute, may cause the brightenings. It is suggested that it is plausible that the fast tearing mode may be the cause of brightenings in the young newly formed interconnecting loops, whereas the anomalous Joule heating might occur in old loop connections when an exteral disturbance propagates through them.

Spicer, D. S.↗
NASA NTRS1983

The disturbance flow field produced by an evolving vortex

The flow field of a vortex in a viscous shear flow is found by constructing a uniformly valid asymptotic expansion consisting of an inner solution field represented, to lowest order, by a two dimensional, nonliner, inviscid Stuart vortex and an outer solution field represented, to lowest order, by either a two dimensional parallel or self similar viscous flow. The technique involves scaling both the transverse and streamwise coordinates in the vicinity of the vortex as well as allowing for a slow variation of the outer viscous flow. Criteria are established for both the size of the vortical structure and proximity to the boundary surfaces. The composite solution is a consistent mathematical picture of the flow field at a fixed streamwise location as the vortical structure evolves past this point. Such a formulation is also useful in the specification of boundary or initial conditions in numerical fluid dynamic calculations, where an inconsistent setting of these conditions leads to spurious results for rather long computation times.

Gatski, T. B.↗