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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

H_Burn_Key2_Dshell_CCC: Pre-shot Report

The double shell implosion platform presents an opportunity to explore the dynamics of a burning plasma within a volumetric burn framework. The double shell campaign and the ICF program at Los Alamos National Laboratory (LANL) is focused on achieving burning plasma using an indirectly driven double shell implosion at the National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory (LLNL). Double shell implosion is aimed at achieving robust ignition with lower convergence, albeit introducing more engineering and physics complexity due to the intricacies of assembling the capsule. The double shell target is comprised of an outer aluminum ablator shell and an inner high-Z (made of molybdenum or tungsten) pusher shell, separated by a cushion of low-density foam. The outer shell undergoes ablation driven by hohlraum-generated x-rays, which compress the foam to immense pressures, reaching several gigabars. This creates a pressure reservoir that propels the high-Z metal pusher, compressing and heating the deuterium-tritium (DT) liquid fuel to significant densities and temperatures, thereby igniting the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Mass dependence of overshooting beneath convective envelopes

State of the art stellar evolution codes [Paxton et al., 2010, Demarque et al., 2004, Weiss and Schlattl, 2008, Siess et al., 2013, Christensen-Dalsgaard, 2008] evoke a diffusive process to model convective overshooting. The diffusion coefficient [Freytag et al., 1996, Pratt et al., 2017] used in the model can be set to change with the classification of the convective zone as non-burning, H-burning, He-burning, or metal-burning. It can also be set to change at defined evolutionary points, such as the bottom of the asymptotic giant branch, or during the third dredge up [Herwig, 2000, Lugaro et al., 2003]. Aside from these abrupt changes, the diffusion coefficient is typically locked to a percentage of the pressure scale height measured at the convective boundary. However, there is no theoretical reason for convective overshooting, or indeed other convective properties, to change in the same way that the pressure scale height changes as a star evolves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Solar fusion III: New data and theory for hydrogen-burning stars

In stars that lie on the main sequence in the Hertzsprung-Russell diagram, like our Sun, hydrogen is fused to helium in a number of nuclear reaction chains and series, such as the proton-proton chain and the carbon-nitrogen-oxygen cycles. Precisely determined thermonuclear rates of these reactions lie at the foundation of the standard solar model. This review, the third decadal evaluation of the nuclear physics of hydrogen-burning stars, is motivated by the great advances made in recent years by solar neutrino observatories, putting experimental knowledge of the proton-proton (𝑝⁢𝑝)-chain neutrino fluxes in the few-percent precision range. The basis of the review is a one-week community meeting held in July 2022 in Berkeley, California, and many subsequent digital meetings and exchanges. The relevant reactions of solar and stellar hydrogen burning are reviewed here from both theoretical and experimental perspectives. Recommendations for the state of the art of the astrophysical 𝑆 factor and its uncertainty are formulated for each of them. Furthermore, several other topics of paramount importance for the solar model are reviewed as well: recent and future neutrino experiments, electron screening, radiative opacities, and current and upcoming experimental facilities. In addition to reaction-specific recommendations, general recommendations are also formed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Populus VariantDB v3.2 facilitates CRISPR and functional genomics research

The success of CRISPR genome editing studies depends critically on the precision of guide RNA (gRNA) design. Sequence polymorphisms in outcrossing tree species pose design hazards that can render CRISPR genome editing ineffective. Despite recent advances in tree genome sequencing with haplotype resolution, sequence polymorphism information remains largely inaccessible to various functional genomics research efforts. The Populus VariantDB v3.2 addresses these challenges by providing a user-friendly search engine to query sequence polymorphisms of heterozygous genomes. The database accepts short sequences, such as gRNAs and primers, as input for searching against multiple poplar genomes, including hybrids, with customizable parameters. We provide examples to showcase the utilities of VariantDB in improving the precision of gRNA or primer design. The platform-agnostic nature of the probe search design makes Populus VariantDB v3.2 a versatile tool for the rapidly evolving CRISPR field and other sequence-sensitive functional genomics applications. The database schema is expandable and can accommodate additional tree genomes to broaden its user base.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Axisymmetric Eigenmodes Excited by Alpha Particle Energy Gradients in JET D-T Plasmas

Axisymmetric Alfvén eigenmodes have been observed at the plasma edge in deuterium-tritium (D-T) tokamak plasmas externally heated only by neutral beam injection in JET. The modes were detected only in D-T plasmas, not in pure D plasmas, indicating excitation by fusion-born 𝛼 particles. The presence of the axisymmetric mode suggests that the modes were driven by positive energy gradients in the 𝛼 particle distribution rather than radial gradients. The modes are driven by counter-current passing 𝛼 particles with large orbit widths, allowing core-born 𝛼 particles to interact with modes at the plasma edge. This reveals an excitation mechanism arising from positive energy gradients produced by the minimum energy required to confine particles at the edge, relevant to all burning plasmas.

Oliver, H. J. C. [United Kingdom Atomic Energy Aut↗
DOE OSTI2024

Efficient Leaching of Metal Ions from Spent Li-Ion Battery Combined Electrode Coatings Using Hydroxy Acid Mixtures and Regeneration of Lithium Nickel Manganese Cobalt Oxide

Extensive use of Li-ion batteries in electric vehicles, electronics, and other energy storage applications has resulted in a need to recycle valuable metals Li, Mn, Ni, and Co in these devices. In this work, an aqueous mixture of glycolic and lactic acid is shown as an excellent leaching agent to recover these critical metals from spent Li-ion laptop batteries combined with cathode and anode coatings without adding hydrogen peroxide or other reducing agents. An aqueous acid mixture of 0.15 M in glycolic and 0.35 M in lactic acid showed the highest leaching efficiencies of 100, 100, 100, and 89% for Li, Ni, Mn, and Co, respectively, in an experiment at 120 °C for 6 h. Subsequently, the chelate solution was evaporated to give a mixed metal-hydroxy acid chelate gel. Pyrolysis of the dried chelate gel at 800 °C for 15 h could be used to burn off hydroxy acids, regenerating lithium nickel manganese cobalt oxide, and the novel method presented to avoid the precipitation of metals as hydroxide or carbonates. The Li, Ni, Mn, and Co ratio of regenerated lithium nickel manganese cobalt oxide is comparable to this metal ratio in pyrolyzed electrode coating and showed similar powder X-ray diffractograms, suggesting the suitability of α-hydroxy carboxylic acid mixtures as leaching agents and ligands in regeneration of mixed metal oxide via pyrolysis of the dried chelate gel.

Electrochemistry↗
DOE OSTI2026

Manganese Oxidation during Vegetation Burning

Redox recycling of manganese (Mn) plays a key role in organic matter decomposition and nutrient cycling in terrestrial vegetated ecosystems, and it is expected to be changed by fires. This study revealed how Mn is oxidized during vegetation burning, by characterizing the chemical speciation of Mn in fire ash from wildland fires and laboratory burning and evaluating the factors governing its average oxidation state (AOS) and speciation. Manganese in wildland fire ash from different ecosystems showed variable AOS that ranges from 2.5 to 3.3. Laboratory burning experiments showed that Mn oxidation was primarily controlled by fire thermal intensity (temperature × duration) and burning completeness. As heating time increased from 5 min to 5 h at 550 and 700 °C, Mn AOS in the lab-burned vegetation ash increased from 2.7 to 4.0 and the oxidation rate was faster at higher temperature. Diverse Mn species can present in wildland fire ash and differ structurally from biogenic Mn oxides. The oxidized Mn species enable fire ash to mediate oxidative degradation of catechol, demonstrating its potential in mediating organic matter decomposition. This study revealed a new paradigm of Mn redox recycling, as compared to the microbe-mediated Mn redox cycling in the absence of fires.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Real-time avoidance of the L-mode and H-mode density limit via machine-learned stability metrics

Reliable operation of burning plasma tokamaks will require robust control strategies to avoid macroscopic instability limits such as the L-mode and H-mode density limits (LDL, HDL). In this work, we explore closed-loop avoidance of these phenomena at DIII-D using machine-learned risk metrics. Feedback control is implemented via the ‘DL Supervisor’ scheme, which regulates the chosen risk metric by reducing the density target or increasing NBI heating in real-time. Using the LDL 25 risk metric, the LDL is reproducibly suppressed. We also introduce an HDL risk metric in this study, HDL 25 , which reduces the False Positive Rate by 2x compared to the Greenwald fraction. Applying this scaling to a plasma current ramp-down, we successfully avoid an HDL-driven H/L back-transition. These experiments constitute the first demonstration of real-time DL avoidance using machine-learned risk metrics. These instability metrics outline a path to safer high-density operation, more reliable ramp-down scenarios, and improved off-normal control for next-step devices such as ITER and SPARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Implementation of new mixture rules has a substantial impact on combustion predictions for H 2 and NH 3

Complex-forming reactions comprise a substantial fraction of all important combustion reactions and are central to combustion behavior. Despite being often called “pressure-dependent” reactions, their rate constants depend on not only the pressure but also the composition. While modern combustion codes allow arbitrarily high accuracy in treating pressure dependence, recent work has consistently demonstrated dramatic failures of essentially all available treatments of mixture dependence. In situations where mixture dependence is treated at all, it is inevitably treated through specification of pressure-dependent rate constants for a set of pure bath gases, which are then combined to estimate the rate constant in a mixture via a “mixture rule.” While there had been a generally unquestioning confidence in these mixture rules, they had, in reality, been scarcely tested until the last decade, when comparisons against master equation calculations revealed order-of-magnitude errors for important pressure-dependent reactions. New mixture rules, based on the reduced pressure, have recently been proposed and shown to reproduce master equation calculations for broad classes of complex-forming reactions very accurately. Here, in this work, we present an implementation of one such new mixture rule (“LMR-R”) in Cantera and then use it to enable simulations that use new high-accuracy ab initio data for individual bath gases (for the first time, since codes previously could not accommodate the complex bath gas dependence). Demonstrations focus on combustion of H 2 and NH 3 , where (1) high-accuracy ab initio data are available and (2) the impact is expected to be large due to the high fractions of efficient colliders (e.g., H 2 O and NH 3 ) in the burned and unburned gases. Indeed, we find the impact of this treatment to be substantial and may explain previous modeling difficulties for these important carbon-free fuels, particularly for NH 3 , whose extraordinarily high third-body efficiency (~20) is often omitted from kinetic models.

Ammonia↗
DOE OSTI2024

Experimental Investigations into the Corrosion of Alloy 625 Using NaCl-PuCl3 Molten Salt in a Natural Circulation Microloop

Molten salt reactors (MSRs) can potentially revolutionize the nuclear industry by providing a path to a near-zero nuclear waste fuel cycle, contributing to more sustainable energy sources. As a plethora of MSR developers in the United States work toward an aggressive commercialization timeline, many of their fueled-salts—notably, chloride-based compositions—have limited operational testing with nuclear material. Licensing and operating these reactors require an understanding of corrosion effects on reactor materials of construction under operational conditions. The TerraPower Molten Chloride Fast Reactor (MCFR) is a liquid-fueled chloride-salt fast reactor which has received notable interest from the utility sector based on its desirable economic characteristics. The reactor operates at low pressure but does not require the use of highly reactive chemicals, leading to a reduced use of concrete and steel during construction. Additionally, liquid fuel allows for inherently stable behavior and natural circulation during a loss-of-site-power scenario. MCFR can be refueled while operating which makes it compatible with variable generation sources such as wind and solar. MCFR is a breed-and-burn in-situ reactor that does not implement any chemical processing or separations in the fuel cycle. Only mechanical filtration of noble metals and off-gassing of noble gases are utilized while the actinides stay mixed with the fuel at all times. The MCFR will require technology development to reach commercialization. With a breed-and-burn in-situ reactor like MCFR, the transmutation of fertile U-238 to fissile Pu-239 allows for much greater fuel utilization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Prediction of performance and turbulence in ITER burning plasmas via nonlinear gyrokinetic profile prediction

Burning plasma performance, transport, and the effect of hydrogen isotope (H, D, D-T fuel mix) on confinement has been predicted for ITER baseline scenario (IBS) conditions using nonlinear gyrokinetic profile predictions. Accelerated by surrogate modeling (Rodriguez-Fernandez et al 2022 Nucl. Fusion 62 076036), high fidelity, nonlinear gyrokinetic simulations performed with the CGYRO code (Candy et al 2016 J. Comput. Phys. 324 73), were used to predict profiles of T i , T e , and n e while including the effects of alpha heating, auxiliary power (NBI + ECH), collisional energy exchange, and radiation losses inside of $r/a$ = 0.9. Predicted profiles and resulting energy confinement are found to produce fusion power and gain that are approximately consistent with mission goals ($P_\textrm{fusion} = 500$ MW at Q = 10) for the baseline scenario and exhibit energy confinement that is within 1σ of the H-mode energy confinement scaling. The power of the surrogate modeling technique is demonstrated through the prediction of alternative ITER scenarios with reduced computational cost. These scenarios include conditions with maximized fusion gain and an investigation of potential resonant magnetic perturbation (RMP) effects on performance with a minimal number of gyrokinetic profile iterations required (3–6). These predictions highlight the stiff ITG nature of the core turbulence predicted in the ITER baseline and demonstrate that $Q \gt$ 17 conditions may be accessible by reducing auxiliary input power while operating in IBS conditions. Prediction of full kinetic profiles allowed for the projection of hydrogen isotope effects around ITER baseline conditions. The gyrokinetic fuel ion species was varied from H, D, and 50/50 D-T and kinetic profiles were predicted. Results indicate that a weak or negligible isotope effect will be observed to arise from core turbulence in IBS conditions. The resulting energy confinement, turbulence, and density peaking, and the implications for ITER operations will be discussed.

gyrokinetics↗
DOE OSTI2025

The new ITER baseline, research plan and open R&D issues

A new baseline (NB) has been proposed by the ITER Project to ensure a robust achievement of the Projects’ goals, in view of past challenges including delays incurred due to the Covid-19 pandemic, technical challenges in completing first-of-a-kind components and in nuclear licensing. The NB includes modifications to the configuration of the ITER device and its ancillaries (e.g. change from beryllium to tungsten as first wall material, modification of the heating and current drive mix, etc.) as well as additional testing of components (e.g. toroidal field coils) or phased installation (start with inertially cooled first wall before later installation of the final actively water-cooled components) to minimise operational risks. In the NB, the ITER research plan (IRP) will be divided into three main phases: (a) start of research operation, with 40 MW of ECH and 10 MW of ICH, which will focus on the demonstration of 15 MA operation in L-mode, commissioning of all required systems, including disruption mitigation, and the demonstration of H-mode plasma operation in deuterium; (b) DT-1, with 60–67 MW of ECH, 33 MW of neutral beam injection (NBI) and 10–20 MW of ICH, which will demonstrate robust operation in high confinement H-mode plasmas in DT up to Q ⩾ 10 and for burn durations of 300–500 s within an accumulated neutron fluence of ∼1% of the ITER machine’s lifetime total, and; (c) DT-2, with up to 67 MW of ECH, up to 49.5 MW of NBI and up to 20 MW of ICH, with the ITER tokamak and ancillaries in their final configuration to demonstrate routine operation in DT plasmas at high Q and the Q ⩾ 5 long-pulse and steady-state scenarios to the final neutron fluence and to perform R&D on nuclear fusion reactor issues. The logic, physics basis, modelling and experimental evaluations carried out to support the NB and the associated IRP are described. These include the impact of the tungsten wall on plasma scenarios and associated risk mitigation measures, as well as the optimisation of the tokamak components and ancillaries to minimise Project risks. Open R&D issues related to these evaluations and mitigation measures are also described together with experimental, modelling and validation activities required to address them.

ITER↗
DOE OSTI2025

EP 250108a/SN 2025kg: Observations of the Most Nearby Broad-line Type Ic Supernova Following an Einstein Probe Fast X-Ray Transient

With a small sample of fast X-ray transients (FXTs) with multiwavelength counterparts discovered to date, their progenitors and connections to γ-ray bursts (GRBs) and supernovae (SNe) remain ambiguous. Here, we present photometric and spectroscopic observations of SN 2025kg, the SN counterpart to the FXT EP 250108a. At z = 0.17641, this is the closest known SN discovered following an Einstein Probe (EP) FXT. We show that SN 2025kg’s optical spectra reveal the hallmark features of a broad-lined Type Ic SN. Its light-curve evolution and expansion velocities are comparable to those of GRB-SNe, including SN 1998bw, and two past FXT-SNe. We present JWST/NIRSpec spectroscopy taken around SN 2025kg’s maximum light, and find weak absorption due to He I 1.0830 μm and 2.0581 μm and a broad, unidentified emission feature at ∼4–4.5 μm. Further, we observe broadened Hα in optical data at 42.5 days that is not detected at other epochs, indicating interaction with H-rich material. From its light curve, we derive a 56 Ni mass of 0.2–0.6 M ⊙ . Together with our companion Letter, our broadband data are consistent with a trapped or low-energy (≲10 51 erg) jet-driven explosion from a collapsar with a zero-age main-sequence mass of 15–30 M ⊙ . Finally, we show that the sample of EP FXT-SNe supports past estimates that low-luminosity jets seen through FXTs are more common than successful (GRB) jets, and that similar FXT-like signatures are likely present in at least a few percent of the brightest Type Ic-BL SNe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Microstructure and bonding between calcium aluminate cement‐containing gahnite–alumina matrix and refractory aggregates

Calcium aluminate cement enhances the thermomechanical properties of refractory castables through the formation of acicular calcium hexaluminate (CaO·6Al 2 O 3 ), Ca 2 Mg 2 Al 28 O 46 (CAM-I), and CaMg 2 Al 16 O 27 (CAM-II) phases in MgO- or MgAl 2 O 4 -containing castables. The compatibility of CA 6 with gahnite (ZnAl 2 O 4 ), and acicular Ca 2 Zn 2 Al 28 O 46 (CAZ-I) and CaZn 2 Al 16 O 27 (CAZ-II) phases formation have been previously reported. Here, in this work, the interaction between a CAC binder containing ZnAl 2 O 4 -Al 2 O 3 matrix with commonly used refractory aggregates such as tabular alumina (TA), alumina-rich (AR90, AR78) and stoichiometric (SM72) MgAl 2 O 4 spinels, and fused and dead-burned magnesia (FM, DBM, respectively) were investigated at 1650°C for 5 h. Microstructural analysis, using digital microscopy, scanning electron microscopy, and energy dispersive spectroscopy, revealed the formation of acicular CaZn 0.18 Al 11.82 O 18.91 , CAZ-I and CAZ-II grains, and strong interfacial bonding between the matrix and TA and spinel aggregates. FM and DBM were found to debond from the matrix. Thick interface layers were observed between the matrix and all the aggregates but TA. Null hypothesis significance testing (NHST) shows that the difference in the number of acicular grains between the interface zone and the bulk matrix (Z) is statistically significant for AR90/Z, SM72/Z, FM/Z, and DBM/Z interfaces, but not significant for TA/Z and AR78/Z. The role of the aggregates’ chemistry on the interfacial bonding and microstructure evolution is discussed.

Ramteke, Rajat Durgesh [Univ. of Alabama, Birmingh↗
DOE OSTI2025

Measurement report: Extreme heat and wildfire emissions enhance volatile organic compounds in a temperate forest

Climate extremes are projected to cause unprecedented deviations in the emission and transformation of volatile organic compounds (VOCs), which trigger feedback mechanisms that will impact the atmospheric oxidation and formation of aerosols and clouds. However, the response of VOCs to future conditions such as extreme heat and wildfire events is still uncertain. This study explored the modification of the mixing ratio and distribution of several anthropogenic and biogenic VOCs in a temperate oak–hickory–juniper forest as a response to increased temperature and transported biomass burning plumes. A chemical ionization mass spectrometer was deployed on a tower at a height of 32 m in rural central Missouri, United States, for the continuous and in situ measurement of VOCs from June to August of 2023. The maximum observed temperature in the region was 38 °C, and during multiple episodes the temperature remained above 32 °C for several hours. Biogenic VOCs such as isoprene and monoterpene followed closely the temperature daily profile but at varying rates, whereas anthropogenic VOCs were insensitive to elevated temperature. During the measurement period, wildfire emissions were transported to the site and substantially increased the mixing ratios of acetonitrile and benzene, which are produced from burning of biomass. An in-depth analysis of the mass spectra revealed more than 250 minor compounds, such as formamide and methylglyoxal. Extreme heat and presence of wildfire plumes modified the overall volatility, reactivity, O : C, and H : C ratios of the extended list of VOCs. The calculated OH reactivities during extreme temperature condition and transport of biomass burning plumes were 106.37±4.27 and 106.22±5.15 s −1 , respectively, which are substantially higher than background level of 98.78±1.16 s −1 . Multivariate analysis also clustered the compounds into five factors, which highlighted the sources of the unaccounted-for VOCs. Ultimately, results here underscore the effect of extreme heat and wildfire emissions on the overall chemical properties VOC in a temperate forest.

Salvador, Christian Mark [Oak Ridge National Labor↗
DOE OSTI2025

Generalizable, fast, and accurate DeepQSPR with fastprop

Abstract Quantitative Structure–Property Relationship studies (QSPR), often referred to interchangeably as QSAR, seek to establish a mapping between molecular structure and an arbitrary target property. Historically this was done on a target-by-target basis with new descriptors being devised to specifically map to a given target. Today software packages exist that calculate thousands of these descriptors, enabling general modeling typically with classical and machine learning methods. Also present today are learned representation methods in which deep learning models generate a target-specific representation during training. The former requires less training data and offers improved speed and interpretability while the latter offers excellent generality, while the intersection of the two remains under-explored. This paper introduces , a software package and general Deep-QSPR framework that combines a cogent set of molecular descriptors with deep learning to achieve state-of-the-art performance on datasets ranging from tens to tens of thousands of molecules. provides both a user-friendly Command Line Interface and highly interoperable set of Python modules for the training and deployment of feedforward neural networks for property prediction. This approach yields improvements in speed and interpretability over existing methods while statistically equaling or exceeding their performance across most of the tested benchmarks. is designed with Research Software Engineering best practices and is free and open source, hosted at github.com/jacksonburns/fastprop.

Burns, Jackson W. (ORCID:0000000206579426)↗