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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Drivers of Atlantic Tropical Cyclogenesis: African Easterly Waves and the Environment

Abstract Tropical cyclone (TC) genesis requires favorable environmental conditions and an initial disturbance, which, in the North Atlantic, is often an African easterly wave (AEW). Although studies have examined how AEWs and the environment affect TC genesis, their relative importance is less understood. Here, we examine whether AEW strength or sea surface temperatures (SSTs) are the primary drivers of TC genesis. Regional model simulations were performed to address how increased AEW strength and SSTs affect the frequency of AEWs that develop into TCs in a year with below‐average TCs with AEW origins and SSTs. We found that environmental favorability plays a larger role than AEW strength in driving the frequency of TCs with AEW origins. Strengthening the AEWs did not affect the frequency of AEWs that develop into TCs due to low environmental favorability. Warmer SSTs led to increased environmental favorability and a statistically significant increase in TCs with AEW origins.

Bercos‐Hickey, Emily [Climate and Ecosystem Scienc↗
DOE OSTI2024

Velocity Dependence of Rate‐And‐State Friction in Granular Fault Gouge and Implications for Slow‐Slip Events

Abstract The standard rate‐and‐state friction (RSF) has extensively captured frictional behaviors, but it fails to explain the velocity dependence of frictional stability transition and widespread slow‐slip events (SSEs) in experiments and nature adequately. An alternative microphysical Chen‐Niemeijer‐Spiers (CNS) model can well describe the velocity dependence of frictional behaviors of granular gouges. Using the original CNS model, standard RSF parameters can be quantified microphysically. However, some micro‐parameters are not easy to estimate quantitatively, making it difficult to extrapolate to natural and experimental conditions. Here, we simplify the microphysically‐derived RSF parameters including direct effect a , evolution effect b , and critical slip distance D c , as well as equivalent values ( a eq , b eq , and D eq ). The simplified friction parameters directly illustrate their velocity dependence, namely the essentially constant a , a eq , and D c , negatively velocity‐dependent b and b eq , as well as varying D eq for different laws. They are roughly consistent with experimental results in various fault gouges. A modified CNS model is further derived from the original CNS model, establishing a direct link between the standard RSF and CNS models. The modified CNS model exhibits virtually identical frictional behaviors to the original CNS, but differs from the standard RSF at large velocity perturbations. Moreover, the linearized stability analysis indicates that the critical stiffness for the modified CNS model is velocity‐dependent. Compared with the standard RSF, the modified CNS model not only explains the velocity dependence of frictional stability transition, but also exhibits a more gradual transition for SSEs with a broader range of stiffness ratios.

Geochemistry & Geophysics↗
DOE OSTI2023

ISG-2: properties of the second International Simple Glass

Given the importance of glass materials to society, their durability when exposed to aqueous solutions is a critical area for research, particularly for vitrified radioactive wastes. This spurred an international team to fabricate a standardized composition based on waste immobilization glass called the International Simple Glass (ISG), which has been the subject of numerous experimental and computational studies focused on aqueous corrosion resistance. With the original batch of ISG nearly depleted, the international team designed and fabricated a standard glass material, ISG-2, where half the Ca in the original composition was replaced with Mg by mole. This paper presents information on both the ISG-2 composition and a new batch with the same nominal composition as the original ISG, designated ISG-1, including their homogeneity, their physical and thermal properties. The results of static alteration experiments are presented as well to provide a baseline for future aqueous corrosion performance investigations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Broadband X-ray burst spectroscopy of the fast-radio-burst-emitting Galactic magnetar

Magnetars are young, magnetically powered neutron stars that possess the strongest magnetic fields in the Universe. Fast radio bursts (FRBs) are extremely intense millisecond-long radio pulses of primarily extragalactic origin, and a leading attribution for their genesis focuses on magnetars. A hallmark signature of magnetars is their emission of bright, hard X-ray bursts of sub-second duration. On 27 April 2020, the Galactic magnetar SGR J1935+2154 emitted hundreds of X-ray bursts within a few hours. One of these temporally coincided with an FRB, the first known detection of an FRB from the Milky Way. Here, we present spectral and temporal analyses of 24 X-ray bursts emitted 13 hours prior to the FRB and seen simultaneously with the Neutron Star Interior Composition Explorer (NICER) mission of the National Aeronautics and Space Administration and with the Fermi Gamma-ray Burst Monitor (GBM) mission in their combined energy range of 0.2 keV to 30 MeV. These broadband spectra permit direct comparison with the spectrum of the FRB-associated X-ray burst (FRB-X). We demonstrate that all 24 NICER and GBM bursts are very similar temporally to the FRB-X, but strikingly different spectrally. The singularity of the FRB-X burst is perhaps indicative of an uncommon locale for its origin. We suggest that this event originated in quasi-polar open or closed magnetic field lines that extend to high altitudes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Unraveling the convoluted and dynamic interphasial mechanisms on Li metal anode

Accurate understanding of the chemistry of solid-electrolyte interphase (SEI) is key to developing new electrolytes for high-energy batteries using lithium metal (Li-0) anodes(1). SEI is generally believed to be formed by the reactions between Li-0 and electrolyte(2,3). However, our new study shows this is not the whole story. Through synchrotron-based X-ray diffraction and pair distribution function analysis, we reveal a much more convoluted formation mechanism of SEI, which receives considerable contributions from electrolyte, cathode, moisture and native surface species on Li-0, with highly dynamic nature during cycling. Using isotope labelling, we traced the origin of LiH to electrolyte solvent, moisture and a new source: the native surface species (LiOH) on pristine Li-0. When lithium accessibility is very limited as in the case of anode-free cells, LiOH develops into plate-shaped large crystals during cycling. Alternatively, when the lithium source is abundant, as in the case of Li||NMC811 cells, LiOH reacts with Li-0 to form LiH and Li2O. While the desired anion-derived LiF-rich SEI is typically found in the concentrated electrolytes or their derivatives, we found it can also be formed in low-concentration electrolyte via the crosstalk effect, emphasizing the importance of formation cycle protocol and opening up opportunities for low-cost electrolyte development.

Polzin, Bryant J.↗
DOE OSTI2020

Metabolic Profiling of Volatile Organic Compounds (VOCs) Emitted by the Pathogens Francisella tularensis and Bacillus anthracis in Liquid Culture

We conducted comprehensive (untargeted) metabolic profiling of volatile organic compounds (VOCs) emitted in culture by bacterial taxa Francisella tularensis (F. tularensis) subspecies novicida and Bacillus anthracis (B. anthracis) Sterne, surrogates for potential bacterial bioterrorism agents, as well as selective measurements of VOCs from their fully virulent counterparts, F. tularensis subspecies tularensis strain SCHU S4 and B. anthracis Ames. F. tularensis and B. anthracis were grown in liquid broth for time periods that covered logarithmic growth, stationary, and decline phases. VOCs emitted over the course of the growth phases were collected from the headspace above the cultures using solid phase microextraction (SPME) and were analyzed using gas chromatography-mass spectrometry (GC-MS). We developed criteria for distinguishing VOCs originating from bacteria versus background VOCs (originating from growth media only controls or sampling devices). Analyses of collected VOCs revealed methyl ketones, alcohols, esters, carboxylic acids, and nitrogen- and sulfur-containing compounds that were present in the bacterial cultures and absent (or present at only low abundance) in control samples indicating that these compounds originated from the bacteria. Distinct VOC profiles where observed for F. tularensis when compared with B. anthracis while the observed profiles of each of the two F. tularensis and B. anthracis strains exhibited some similarities. Furthermore, the relative abundance of VOCs was influenced by bacterial growth phase. These data illustrate the potential for VOC profiles to distinguish pathogens at the genus and species-level and to discriminate bacterial growth phases. The determination of VOC profiles lays the groundwork for non-invasive probes of bacterial metabolism and offers prospects for detection of microbe-specific VOC biomarkers from two potential biowarfare agents.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Intense alteration on early Mars revealed by high-aluminum rocks at Jezero crater

The NASA Perseverance rover discovered light-toned float rocks scattered across the surface of Jezero crater that are particularly rich in alumina ( ~ 35 wt% Al 2 O 3 ) and depleted in other major elements (except silica). These unique float rocks have heterogeneous mineralogy ranging from kaolinite/halloysite-bearing in hydrated samples, to spinel-bearing in dehydrated samples also containing a dehydrated Al-rich phase. Here we describe SuperCam and Mastcam-Z observations of the float rocks, including the first in situ identification of kaolinite or halloysite on another planet, and dehydrated phases including spinel and apparent partially dehydroxylated kaolinite. The presence of spinel in these samples is likely detrital in origin, surviving kaolinitization, pointing to an ultramafic origin. However, the association of low hydration with increased Al 2 O 3 abundances suggests heating-induced dehydration which could have occurred during the lithification or impact excavation of these rocks. Given the orbital context of kaolinite-bearing megabreccia in the Jezero crater rim, we propose an origin for these rocks involving intense aqueous alteration of the parent material, followed by dehydration/lithification potentially through impact processes, and dispersion into Jezero crater through flood or impact-related processes.

58 GEOSCIENCES↗
DOE OSTI2020

Mesoscopic analyses of the impact of morphology and operating conditions on the transport resistances in a proton-exchange-membrane fuel-cell catalyst layer

Exploring the origins of local transport resistance and characterizing the oxygen transport resistances in the catalyst layer (RCL) are critical for cost reduction. In this paper, a comprehensive mesoscopic model for simulating coupled transport processes of oxygen and water vapor for different structural parameters under different operating conditions in reconstructed microstructures is proposed. The local transport resistance is calculated after achieving the limiting current density and the effective diffusivity of oxygen. The results demonstrate that RCL increases greatly with decreasing platinum loading (LPt) and the transport resistances in other components of the cell dominate for high-loadings. Both the reduced oxygen permeation coefficient in the ionomer thin-film and the adsorption resistance account for the origins of local transport resistance. The local transport resistance increases with the bare carbon ratio for a constant LPt and Pt/C ratio due to the decreased effective ionomer surface, and increases with the I/C ratio due to the increased ionomer thickness and decreased Knudsen diffusivity. Due to the presence of liquid water, a slight decrease followed by an increase of the local transport resistance versus relative humidity is obtained. The contribution of ionomer thin-films to RCL is more sensitive to liquid saturation compared with that of pores. This journal is

Mu, YT↗
DOE OSTI2024

Advanced Permanent Magnet Generator Topologies Using Multimaterial Shape Optimization and 3D Printing: Preprint

A vast majority of utility-scale wind turbine generators in the United States are dependent on foreign- sourced rare-earth permanent magnets that are vulnerable to supply chain uncertainties. Many small wind original equipment manufacturers are motivated to pursue continuous improvements to the generator design to lower the material and production costs and improve performance by lowering cogging torque and increasing the efficiency. Traditional design and manufacturing offer limited opportunities. In this work, we demonstrate advanced design approaches for a 15-kW baseline wind turbine generator by making use of recent progress in three-dimensional (3D) printing of polymer- bonded magnets and, electrical and structural steel. We explore three methods of magnet parametrization using Bezier curves resulting in symmetric, asymmetric and multimaterial magnet designs. We employ a multiphysics approach combining parametric computer-aided design modeling, finite- element analysis and targeted sampling to identify novel designs with more opportunities for reducing rare-earth material, improving efficiency and minimizing cogging torque. The results show that asymmetric-pole design and multimaterial-pole designs offer a greater opportunity to minimize rare-earth magnet materials by up to 35% with similar performance as the baseline generator, suggesting newer opportunities with design freedom beyond traditional limits of symmetry and as allowed by 3D printing.

Bezier curves↗
DOE OSTI2023

Hunting for gamma-ray emission from fast radio bursts

Context. Fast radio bursts (FRBs) are a recently discovered class of GHz-band, ms-duration, Jansky-level-flux astrophysical transients. Although hundreds of models have been proposed so far for FRB progenitors (the most popular ones involve magnetars), their physical origin and emission mechanism are still a mystery, making them one of the most compelling problems in astrophysics. Aims. FRBs are caused by astrophysical processes that are not yet understood. Exploring their high-energy counterpart is crucial for constraining their origin and emission mechanism. Methods. Thanks to more than 13 years of gamma-ray data collected by the Large Area Telescope on board the Fermi Gamma-ray Space Telescope, and to more than 1000 FRB events (from 561 non-repeating and 22 repeating sources), one of the largest samples created thus far, we performed the largest and deepest search for high-energy emission from FRB sources to date (between 100 MeV and 1 TeV). In addition to the analysis involving individual FRB events on different timescales (from a few seconds up to several years), we performed, for the first time, a stacking analysis on the full sample of FRB events as well as a search for triplet photons in coincidence with the radio event. Results. We do not detect significant emission, reporting the most stringent constraints, on short timescales, for the FRB-like emission from SGR 1935+2154 with E γ <10 41 erg, corresponding to a factor η < 10 7 with respect to the emitted radio energy. Similarly, for the stacked signal of steady emission from all repeaters, the obtained upper limit (UL) on the FRBs luminosity (L γ < 1.6 × 10 43 erg s -1 is more than two orders of magnitude lower than those derived from the individual sources. Finally, no individual or triplet photons have been significantly associated with FRB events. We derived the LAT ms-sensitivity to be ~0.3 ph cm -2 s -1 and constrained the gamma-ray energy E γ,δT = 1 ms ≲ 10 47 (D L /150 Mpc) 2 erg, ruling out a gamma-ray-to-radio energy ratio greater than 10 9 on ms timescales. Conclusions. The results reported here represent the most stringent UL reported so far on the high-energy emission from FRBs on short and long time scales, as well as on cumulative emission and individual photon searches. While the origin of FRBs is still unclear, our work provides important constraints for FRB modelling, which might shed light on their emission mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Chiral propulsion: The method of effective boundary conditions

We propose to apply an “effective boundary condition” method to the problem of chiral propulsion. For the case of a rotating helix moving through a fluid at a low Reynolds number, the method amounts to replacing the original helix (in the limit of small pitch) by a cylinder, but with a special kind of partial slip boundary conditions replacing the non-slip boundary conditions on the original helix. These boundary conditions are constructed to reproduce far-field velocities of the original problem and are defined by a few parameters (slipping lengths) that can be extracted from a problem in planar rather than cylindrical geometry. We derive the chiral propulsion coefficients for spirals, helicoids, helically modulated cylinders and some of their generalizations using the introduced method. In the case of spirals, we compare our results with the ones derived by Lighthill and find a very good agreement. Here, the proposed method is general and can be applied to any helical shape in the limit of a small pitch. Furthermore, we have established that for a broad class of helical surfaces the dependence of the chiral propulsion on the helical angle θ is universal, x ~ cos θ sin 2θ with the maximal propulsion achieved at the universal angle θ m = tan –1 (1/√2) ≈ 35.26°.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Erratum: “DFTB+, a software package for efficient approximate density functional theory based atomistic simulations” [J. Chem. Phys. 152, 124101 (2020)]

The implementation of the GPU support in DFTB+, as described in Sec. III C of the original publication,1 was developed based on a previous unpublished implementation by Jacek Jakowski. In order to acknowledge his work on this first implementation, the authors of the original publication wish to include J. Jakowski as co-author. The scientific content of the original publication is not affected.

42 ENGINEERING↗
DOE OSTI2023

Optoelectronic and structural characterization of trapezoidal defects in 4H-SiC epilayers and the effect on MOSFET reliability

To this day, trapezoidal defects are found in clusters and high counts in wafers representing the industry standard in terms of material quality being produced. This study sheds light on the nature, origin, behavior, and impact of this defect on device yield and reliability. Trapezoidal defects in 4H-SiC epitaxial layers were investigated by photoluminescence (PL) imaging, scanning electron microscopy (SEM), cathodoluminescence spectrum imaging (CLSI), SEM electron beam induced current (EBIC) imaging, and by transmission electron microscopy (TEM) observation. The bar-shaped stacking faults were identified by the PL and CL measurements with a peak emission wavelength of 420 and 450 nm. An optoelectronic behavioral study based on the recombination enhanced dislocation glide mechanism revealed how expanding dislocations and stacking faults interact with each other. Combining the luminescence and microscopy results, the nature of the stacking faults was identified as being a combination of Shockley-type and Frank-type stacking faults. The TEM analysis showed that these defects originate from the substrate and the stacking sequences of some of the faults were determined as (…2, 4, 2…) and (…2, 3, 2…) in the Zhdanov's notation by high-resolution TEM. The origin of this defect is speculated based on our results and previous reports. The EBIC imaging showed that the high density of SFs in these towers is a strong site of carrier recombination, which presumably has an impact on the transfer characteristics of SiC devices. Furthermore, these defects have shown to impact metal oxide semiconductor field effect transistors electrical performance via an increase in the on-state resistance depending on the coverage percentage of the tower of defects in the active area of the device.

4H-SiC↗
DOE OSTI2023

Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state

We aim to improve upon the variational Monte Carlo (VMC) approach for excitations replacing the Jastrow factor by an auxiliary bosonic (AB) ground state and multiplying it by a fermionic component factor. The instantaneous change in imaginary time of an arbitrary excitation in the original interacting fermionic system is obtained by measuring observables via the ground-state distribution of walkers of an AB system that is subject to an auxiliary effective potential. The effective potential is used to (i) drive the AB system’s ground-state configuration space toward the configuration space of the excitations of the original fermionic system and (ii) subtract from a diffusion Monte Carlo (DMC) calculation contributions that can be included in conventional approximations, such as mean-field and configuration interaction (CI) methods. In this novel approach, the AB ground state is treated statistically in DMC, whereas the fermionic component of the original system is expanded in a basis. The excitation energies of the fermionic eigenstates are obtained by sampling a fermion–boson coupling term on the AB ground state. We show that this approach can take advantage of and correct for approximate eigenstates obtained via mean-field calculations or truncated interactions. We demonstrate that the AB ground-state factor incorporates the correlations missed by standard Jastrow factors, further reducing basis truncation errors. Relevant parts of the theory have been tested in soluble model systems and exhibit excellent agreement with exact analytical data and CI and VMC approaches. In particular, for limited basis set expansions and sufficient statistics, AB approaches outperform CI and VMC in terms of basis size for the same systems. The implementation of this method in current codes, despite being demanding, will be facilitated by reusing procedures already developed for calculating ground-state properties with DMC and excitations with VMC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The long road to ignition: An eyewitness account

This paper reviews the many twists and turns in the long journey that culminated in ignition in late 2022 using the laser heated indirect-drive approach to imploding DT filled targets at the National Ignition Facility (NIF), located at the Lawrence Livermore National Laboratory (LLNL). We describe the early origins of the Laser Program at LLNL and key developments such as the paradigm shifting birth of high energy density physics (HEDP) studies with lasers, changes in choice of laser wavelength, and the development of key diagnostics and computer codes. Fulfilling the requirements of the multi-faceted Nova Technical Contract was a necessary condition for the approval of the NIF, but more importantly, the end of the Cold War and the cessation of nuclear testing were key catalysts in that approval, along with the ready-and-waiting field of HEDP. The inherent flexibility of the field of laser driven inertial confinement fusion played a fundamental role in achieving success at the NIF. We describe how the ultimately successful ignition target design evolved from the original “point design” target, through the lessons of experiment. All key aspects of that original design changed: The capsule's materials and size were changed; the hohlraum's materials, size, laser entrance hole size, and gas fills were also all changed, as were the laser pulse shapes that go along with all those changes. The philosophy to globally optimize performance for stability (by raising the adiabat and thus lowering the implosion convergence) was also key, as was progress in target fabrication, and in increasing NIF's energy output. The persistence of the research staff and the steadfast backing of our supporters were also necessary elements in this success. We gratefully acknowledge seven decades of researcher endeavors and four decades of the dedicated efforts of many hundreds of personnel across the globe who have participated in NIF construction, operation, target fabrication, diagnostic, and theoretical advances that have culminated in ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Mycena genomes resolve the evolution of fungal bioluminescence

Mushroom-forming fungi in the order Agaricales represent an independent origin of bioluminescence in the tree of life; yet the diversity, evolutionary history, and timing of the origin of fungal luciferases remain elusive. We sequenced the genomes and transcriptomes of five bonnet mushroom species ( Mycena spp.), a diverse lineage comprising the majority of bioluminescent fungi. Two species with haploid genome assemblies ~150 Mb are among the largest in Agaricales, and we found that a variety of repeats between Mycena species were differentially mediated by DNA methylation. We show that bioluminescence evolved in the last common ancestor of mycenoid and the marasmioid clade of Agaricales and was maintained through at least 160 million years of evolution. Analyses of synteny across genomes of bioluminescent species resolved how the luciferase cluster was derived by duplication and translocation, frequently rearranged and lost in most Mycena species, but conserved in the Armillaria lineage. Luciferase cluster members were coexpressed across developmental stages, with the highest expression in fruiting body caps and stipes, suggesting fruiting-related adaptive functions. Our results contribute to understanding a de novo origin of bioluminescence and the corresponding gene cluster in a diverse group of enigmatic fungal species.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Decoupling between Shockley partials and stacking faults strengthens multiprincipal element alloys

We report that mechanical properties are fundamental to structural materials, where dislocations play a decisive role in describing their mechanical behavior. Although the high-yield stresses of multiprincipal element alloys (MPEAs) have received extensive attention in the last decade, the relation between their mechanistic origins remains elusive. Our multiscale study of density functional theory, atomistic simulations, and high-resolution microscopy shows that the excellent mechanical properties of MPEAs have diverse origins. The strengthening effects through Shockley partials and stacking faults can be decoupled in MPEAs, breaking the conventional wisdom that low stacking fault energies are coupled with wide partial dislocations. This study clarifies the mechanistic origins for the strengthening effects, laying the foundation for physics-informed predictive models for materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ubiquitous coexisting electron-mode couplings in high-temperature cuprate superconductors

In conventional superconductors, electron-phonon coupling plays a dominant role in generating superconductivity. In high-temperature cuprate superconductors, the existence of electron coupling with phonons and other boson modes and its role in producing high-temperature superconductivity remain unclear. The evidence of electron-boson coupling mainly comes from angle-resolved photoemission (ARPES) observations of ~70-meV nodal dispersion kink and ~40-meV antinodal kink. However, the reported results are sporadic and the nature of the involved bosons is still under debate. Here we report findings of ubiquitous two coexisting electron-mode couplings in cuprate superconductors. By taking ultrahigh-resolution laser-based ARPES measurements, we found that the electrons are coupled simultaneously with two sharp modes at ~70meV and ~40meV in different superconductors with different dopings, over the entire momentum space and at different temperatures above and below the superconducting transition temperature. These observations favor phonons as the origin of the modes coupled with electrons and the observed electron-mode couplings are unusual because the associated energy scales do not exhibit an obvious energy shift across the superconducting transition. We further find that the well-known “peak-dip-hump” structure, which has long been considered a hallmark of superconductivity, is also omnipresent and consists of “peak-double dip-double hump” finer structures that originate from electron coupling with two sharp modes. These results provide a unified picture for the ~70-meV and ~40-meV energy scales and their evolutions with momentum, doping and temperature. In conclusion, they provide key information to understand the origin of these energy scales and their role in generating anomalous normal state and high-temperature superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗