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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 OSTI2024

Deployment and performance of a Low-Energy-Threshold Skipper-CCD inside a nuclear reactor

Charge Coupled Devices (CCD) are being used for reactor neutrino experiments and have already demonstrated their potential in constraining new physics models. The prospect of a Skipper-CCD experiment looking for standard and beyond standard model (BSM) physics in a nuclear reactor has been evaluated for different benchmark scenarios. Here, we report the first installation of a 2-g Skipper-CCD inside the containment building of a 2 GW th nuclear power plant and analyze its performance throughout its first 18 months of operation. The sensor was successfully deployed at Atucha II, in Argentina, 12 meters away from the center of the reactor core. We discuss the challenges involved in the commissioning of the detector and present data acquired during reactor ON and reactor OFF periods, with the sensor functioning with a sub-electron readout noise of 0.17 e - . Based on an exposure of 56.8 g day reactor ON and two reactor OFF data sets with a total exposure of 118.1 g day we characterize the system and evaluate the sensitivity to CEvNS. We achieved a background rate of 33 kdru and a low threshold of 45 eV ee . The ongoing efforts to improve sensitivities to CEvNS and BSM interaction are also discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Lowering the Energy Threshold of the CUORE Experiment: Benefits in the Surface Alpha Events Reconstruction

CUORE is a tonne-scale cryogenic experiment located at the Laboratori Nazionali del Gran Sasso that exploits bolometric technique to search for neutrinoless double beta decay of 130 Te. Thanks to its very low background and large mass, CUORE is also a powerful tool to study a broad class of phenomena, such as solar axions and WIMP scattering. The ability to conduct such sensitive searches crucially depends on the energy threshold, which has to be kept as low as possible. Here, we show how the trigger algorithm affects the sensitivity to low-energy phenomena and the interpretation of the energy spectrum. In particular, we focus on the impact that the trigger algorithm has on the identification of the coincidence events among different crystals and, consequently, on the reconstruction of the background.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Oxide nucleation via threshold-driven volume instability in Ni oxidation

Oxide nucleation dictates the onset of metal oxidation, yet the atomistic pathways bridging initial oxygen adsorption to bulk phase transformation remain elusive. Here, we utilize in-situ atomic-resolution imaging to directly capture the nucleation of nickel oxide, revealing a threshold-driven, cooperative transformation of Ni into NiO. Our observations identify a distinct incubation period during which oxygen progressively accumulates in subsurface layers. Once a critical concentration and penetration depth are reached, a collective lattice reconfiguration is triggered, abruptly converting multiple Ni layers into NiO. Atomistic simulations corroborate this mechanism, identifying a cooperative lattice instability induced by subsurface oxygen saturation. These results establish subsurface oxygen incorporation as the missing mechanistic link between surface adsorption and three-dimensional oxide formation, providing an atomistic framework to understand and control reactive phase transformations in materials synthesis, catalysis, and degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fermentative conversion of unpretreated plant biomass: A thermophilic threshold for indigenous microbial growth

Here, naturally occurring, microbial contaminants were found in plant biomasses from common bioenergy crops and agricultural wastes. Unexpectedly, indigenous thermophilic microbes were abundant, raising the question of whether they impact thermophilic consolidated bioprocessing fermentations that convert biomass directly into useful bioproducts. Candidate microbial platforms for biomass conversion, Acetivibrio thermocellus (basionym Clostridium thermocellum; T opt 60 °C) and Caldicellulosiruptor bescii (T opt 78 °C), each degraded a wide variety of plant biomasses, but only A. thermocellus was significantly affected by the presence of indigenous microbial populations harbored by the biomass. Indigenous microbial growth was eliminated at ≥75 °C, conditions where C. bescii thrives, but where A. thermocellus cannot survive. Therefore, 75 °C is the thermophilic threshold to avoid sterilizing pre-treatments on the biomass that prevents native microbes from competing with engineered microbes and forming undesirable by-products. Thermophiles that naturally grow at and above 75 °C offer specific advantages as platform microorganisms for biomass conversion into fuels and chemicals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Thickness threshold study of polyaniline-based lightning strike protection coating for carbon/glass fiber reinforced polymer composites

Different polyaniline (PANI) based lightning strike protection (LSP) coating thicknesses were tested against simulated lightning strike tests to evaluate the threshold thickness of the coating. A series of lightning strike tests were performed on carbon/glass fiber reinforced polymer (CFRP/GFRP) composites subjected to simulated lightning currents ranging from 40 to 100 kA. Five LSP-coated specimens were considered herein: two CFRP and three GFRP composites. A minimum of ~ 345 μm thick PANI-based LSP coating on CFRP and GFRP composites under a 40 kA peak current retained 83 % and 100 % residual strength, respectively. Additionally, GFRP specimens tested against 60 and 100 kA peak currents exhibited 100 % residual strength. Finally, this study proposes that a PANI-based LSP coating is suitable for protecting GFRP composites, while the careful design is necessary for CFRP composites to avoid any catastrophic failure.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Estimation of post-burst vibration-induced fuel dispersal thresholds following LOCA-simulant testing

The nuclear industry intends to increase burnup past the regulatory limit of 62 GWd/MTU, and to be successful, the dispersal behavior of fragmented high-burnup fuel during loss-of-coolant accidents must be better understood. Part of this behavior is fuel fragmentation, relocation, and dispersal. This work reports on testing concerning the dispersal of fuel from rods following burst and pressure blowdown through the burst. The Fuel Relocation Induced by Accident Recovery (FRIAR) system was used to examine surrogate material and pre-burst cladding specimens to evaluate the effects of vibrational loading, mixture composition, and burst size on post-burst dispersal. Vibrational loading resulted in maximum dispersal around 15 Hz when the loading was performed with peak-to-peak oscillation amplitudes at 0.5 and 1 mm. Here, under this aggressive vibrational loading, dispersal was found to become significant as burst widths increased to approximately 5 mm and larger. However, below 4 mm widths, little material dispersed out of the opening, even at 1 mm amplitudes and for more dispersive mixtures (smaller average fragments). At and above 7 mm widths, dispersal was rapid for all mixtures. Finally, dispersal in the threshold region (4–5 mm wide bursts) strongly depended on the mixture. For mixtures with large fragments, dispersal was minimized to a few fragments, as the large fragments proved to be effective at minimizing dispersal. Conversely, mixtures with smaller fragments showed increased dispersal in this region.

Burst geometry↗
DOE OSTI2026

Quasielastic $\overrightarrow{^{3}He}$ $(\overrightarrow{e},e′)$ asymmetry in the threshold region with a longitudinally polarized target

We report on the measurements of the double-spin asymmetry from electron- 3 He scattering in the threshold region of two- and three-body breakup of 3 He for 4-momentum transfer values of 0.1 and 0.2 (GeV/c) 2 . The measurement was done at Jefferson Lab using a polarized 3 He target with its spin aligned parallel to the beam direction. This asymmetry is sensitive to a combination of spin-dependent response functions not previously measured and may highlight differences in two body forces, meson-exchange currents and final-state interactions. The results of this measurement serve as a test of our understanding of few-body systems. When compared with calculations from plane wave impulse approximation and Faddeev calculations, we found that the latter, which use modern nuclear potentials and prescriptions for meson-exchange currents, demonstrate an overall good agreement with data.

Few-body nuclei↗
DOE OSTI2021

Electrochemical properties of poly(ethylene oxide) electrolytes above the entanglement threshold

The ion transport in electrolytes depends on three transport coefficients, conductivity (κ), salt diffusion coefficient (D), and the cation transference number with respect to the solvent velocity ($t_+^0$), and the thermodynamic factor ($T_f$). Current methods for determining these parameters involve four separate experiments, and the coupled nature of the equations used to determine them generally results in large experimental uncertainty. We present data obtained from 64 independent polymer electrolytes comprising poly(ethylene oxide) (PEO) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt. The molecular weights of PEO ranged from 5 to 275 kg mol -1 ; these samples are all above the entanglement threshold. We minimize the experimental uncertainty in transport and thermodynamic measurements by exploiting the fact that ion transport in entangled polymer electrolytes should be independent of molecular weight. The dependence of $κ, D, t_+^0$, and $T_f$ as a function of salt concentration in the range 0.035 ≤ r ≤ 0.30 are presented with a 95% confidence interval, where r is the molar ratio of lithium ions to ethylene oxide monomer units. While κ, D, and $T_f$ are all positive as required by thermodynamic constraints, there is no constraint on the sign of $t_+^0$. We find that $t_+^0$ is negative in the salt concentration range of 0.093 ≤ r ≤ 0.189.

25 ENERGY STORAGE↗
DOE OSTI2023

Vessel Rupture Thresholds for Vessel–Bubble Interactions Using an Earthworm Vasculature Model

Intravenous microbubble oscillation in the presence of ultrasound has the potential to yield a wide range of therapeutic benefits. However, the likelihood of vessel damage caused by mechanical effects has not been quantified as a function of the numerous important parameters in therapeutic ultrasound procedures. In this study, we examined the effects of microbubbles injected into the vasculature of the earthworm. It was found that the elastic properties of earthworm blood vessels are similar to those of arteries in older humans, and that earthworms are well suited to the large number of experiments necessary to investigate safety of procedures involving microbubble oscillation in sonicated vessels. Microbubbles were infused into earthworm vessels, and the rupture time during sonication was recorded as a function of ultrasound frequency, pulse repetition frequency and acoustic pressure. A modified mechanical index (MMI) was defined that successfully captured the trends in rupture probability and rupture time for the different parameter values, creating a database of vessel rupture thresholds. In the absence of bubbles, the product of MMI squared and rupture time was approximately constant, indicating a possible radiation-force effect. Here, the MMI was an effective correlating parameter in the presence of bubbles, though the mathematical dependence is not yet apparent. The results of the study are expected to be valuable in designing more refined studies in vertebrate models, as well as informing computational models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Ion-temperature- and density-gradient-driven instabilities and turbulence in Wendelstein 7-X close to the stability threshold

Electrostatic gyrokinetic instabilities and turbulence in the Wendelstein 7-X stellarator are studied. Particular attention is paid to the ion-temperature-gradient (ITG) instability and its character close to marginal stability [Floquet-type turbulence (Zocco et al., Phys. Rev. E, vol. 106, 2022, p. L013202) with no electron temperature gradient]. The flux tube version of the δƒ code stella (Barnes et al., J. Comput. Phys., vol. 391, 2019, pp. 365–380) is used to run linear and nonlinear gyrokinetic simulations with kinetic electrons. The nature of the dominant instability depends on the wavelength perpendicular to the magnetic field, and the results are conveniently displayed in stability diagrams that take this dependence into account. This approach highlights the presence of universal instabilities, which are less unstable but have longer wavelengths than other modes. A quasi-linear estimate of the heat flux suggests they are relevant for transport. Close to the stability threshold, the linear eigenmodes and turbulence form highly extended structures along the computational domain if the magnetic shear is small. Numerical experiments and diagnostics are undertaken to assess the resulting radial localisation of the turbulence, which affects the interaction of the latter with zonal flows. Increasing the amplitude of the magnetic shear (e.g.through current drive) has a stabilising effect on the turbulence and, thus, reduces the nonlinear energy transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Threshold Ionization Spectroscopy and Theoretical Calculations of LnO (Ln = La and Ce)

Mass-analyzed threshold ionization (MATI) spectroscopy was used to measure the vibronic spectra of LnO (Ln = La and Ce). Single-reference coupled cluster and relativistic multireference configuration calculations were carried out to compare with the measured vibronic energies. The spectrum of LaO displays a single vibronic band system, while that of CeO shows multiple ones. The ionization energies of LaO and CeO are measured as 5.2446 (6) and 5.3332(6) eV, respectively, which are a hundredfold improvement over the literature values. The vibrational energies of the neutral molecule and corresponding ion reveal the charge effect on the metal-oxygen bond of both species. The single band system in the spectrum of LaO arises from the transition of the ground state of the neutral molecule with the La(6s 1 )O(2p 6 ) valence configuration to the ground state of the singly charged ion with the La(6s o )O(2p 6 ) configuration. Here, the multiple band systems in the spectrum of CeO are attributed to the spin-orbit coupling for the Ce(4f 1 6s 1 )O(2p 6 ) configuration of the neutral molecule and an excited state for the Ce(4f 1 )O(2p 6 ) configuration of the ion.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Threshold Collision-Induced Dissociation of Hydrated Thorium(IV) Trihydroxide Cation: Experimental and Theoretical Investigation of the Binding Energies for Th(OH) 3 + (H 2 O) n Complexes ( n = 1–4)

Threshold collision-induced dissociation of Th(OH) 3 + (H 2 O) n Complexes ( n = 1–4) with xenon was performed using a guided ion beam tandem mass spectrometer. The primary dissociation pathway for all complexes is a loss of a single water molecule followed by the sequential loss of additional water molecules at higher collision energies. Here, the data were analyzed using a statistical model after accounting for lifetime effects and reactant internal and kinetic energy distributions to obtain 0 K bond dissociation energies (BDEs). These were also converted using rigid rotor/harmonic oscillator approximations to yield thermodynamic values at room temperature. The 0 K BDEs of H 2 O ligands to Th(OH) 3 + (IV) are experimentally determined for the first time as 106 ± 6, 89 ± 6, 76 ± 4, and 51 ± 4 kJ/mol for the first, second, third, and fourth water ligand added. These values agree reasonably well with values calculated at the B3LYP, B3PW91, and PBE0 levels of theory with aug-cc-pVQZ basis sets, whereas B3LYP-GD3BJ, MP2, and CCSD(T) single point energies with (without) counterpoise corrections systematically overestimate the bond energies by about 15 (20), 19 (25), and (18) kJ/mol, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Permittivity Threshold and Thermodynamics of Integer Charge-Transfer Complexation for an Organic Donor–Acceptor Pair

Molecular or chemical-based charge doping provides a means to change the properties (e.g. conductivity) of a material through a complete or partial transfer of charge between its constituents. Understanding how local material environment impacts this process is thus important for controlling the properties of organic materials. This paper presents spectroscopic investigations of molecular charge transfer interactions between a pair of common charge-doping and -transporting materials (2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane, F4TCNQ, and N,N’-Diphenyl-N-N’-di-p-tolylbenzene-1,4-diamine, MPDA). Equilibrium constants associated with charge transfer were determined for donor-acceptor pairs dissolved in a series of solvents covering a range of values of permittivity. A threshold for highly favorable charge separation was observed to occur at a permittivity of ~8-9, with more and less favorable charge separation observed in solvents of higher and lower permittivity, respectively, but with chloroform (permittivity=4.81) exhibiting an anomalously favorable charge separation. Temperature-dependent studies were undertaken to assess the thermodynamics of charge separation. In 1,2- dichloroethane (permittivity=10.36) and chlorobenzene (permittivity=5.62), charge transfer was observed to be both enthalpically and entropically favorable. Charge separation in chloroform is exothermic and entropically disfavored, indicating that specific, inner-shell solvent-solute interactions stabilize the charge-separated complex and result in a net increase in local solution structure. Furthermore, our results provide insight on how modification to the chemical environment may be utilized to support stable charge transfer for molecular doping applications and requiring only modest changes in local permittivity.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Sensitivity of the Shock Initiation Threshold of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) to Nuclear Quantum Effects

Approximating the dynamics of atomic nuclei with classical equations of motion in molecular dynamics (MD) simulations causes an overprediction of the specific heat and omits zero-point energy which can have a crucial effect on predictions of the response of materials under dynamical loading. We use quantum and classical thermostats in reactive MD simulations to characterize the effect of energy distribution on the initiation and decomposition of the explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) under shock and thermal loading. Shock simulations using the multiscale shock technique (MSST) show that nuclear quantum effects not only increase the temperature rise during dynamical loading but also lower the shock temperature corresponding to the threshold for initiation of chemical reactions. The lower specific heat and presence of zero point energy contribute approximately equally to these effects. Thermal decomposition simulations show that nuclear quantum effects lower the activation barrier associated with reaction compared to classical simulations. Here, comparing quantum and classical simulations as a function of average kinetic energy shows that classical baths result in faster kinetics as compared with quantum ones; we explore the molecular origins of this observation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

13 C Radiofrequency Amplification by Stimulated Emission of Radiation Threshold Sensing of Chemical Reactions

Conventional nuclear magnetic resonance (NMR) enables detection of chemicals and their transformations by exciting nuclear spin ensembles with a radio-frequency pulse followed by detection of the precessing spins at their characteristic frequencies. The detected frequencies report on chemical reactions in real time and the signal amplitudes scale with concentrations of products and reactants. Here, we employ Radiofrequency Amplification by Stimulated Emission of Radiation (RASER), a quantum phenomenon producing coherent emission of 13 C signals, to detect chemical transformations. The 13 C signals are emitted by the negatively hyperpolarized biomolecules without external radio frequency pulses and without any background signal from other, nonhyperpolarized spins in the ensemble. Here, we studied the hydrolysis of hyperpolarized ethyl-[1- 13 C]acetate to hyperpolarized [1- 13 C]acetate, which was analyzed as a model system by conventional NMR and 13 C RASER. The chemical transformation of 13 C RASER-active species leads to complete and abrupt disappearance of reactant signals and delayed, abrupt reappearance of a frequency-shifted RASER signal without destroying 13 C polarization. Further, the experimentally observed “quantum” RASER threshold is supported by simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Thresholds for Atmospheric Convection in Amazonian Rainforests

The Amazon rainforest is known as the “Green Ocean” for its maritime-like convection and cloud microphysics during the wet season. Although previous studies suggest the dominant thermodynamic processes involved in deep convection may differ between land and ocean, a comprehensive understanding of the thermodynamics of Amazonian convection is lacking. Using 404,971 daytime precipitating cloud profiles from the CloudSat satellite, we observe a regime transition from congestus dominance to cumulonimbus dominance when convective available potential energy exceeds a threshold in Amazonia and also in shrublands, but not in oceanic regions. In addition, the cloud regime transition is linked to boundary layer moisture in the two continental regions, while it is linked to lower-free-tropospheric moisture in the oceanic region. As the dry season progresses in Amazonia and modifies the free-tropospheric stability, a moderate plant water stress and increased incoming solar energy facilitate the initiation of deep convection and the onset of the wet season.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

CAPE Threshold for Lightning Over the Tropical Ocean

Here, we investigate the relationship between convective available potential energy (CAPE), precipitation, the number and size of storms and overshooting tops, and lightning stroke density ($\mathcal{f}$) over the Central America region. While $\mathcal{f}$ increases almost linearly with CAPE 1/2 over land, $\mathcal{f}$ is nearly muted over the ocean when CAPE is small. In the high-CAPE regime, on the contrary, oceanic storms produce as many lightning flashes as land storms. We show that individual oceanic storms are smaller and contain fewer overshooting tops compared to land storms, although the difference exists across low- and high-CAPE regimes. While $\mathcal{f}$ increases as individual storm size increases, the storm size required to produce lightning appears to be disproportionately high in the low-CAPE regime, likely due to the stronger entrainment effect. The entrainment effect on $\mathcal{f}$ in the low-CAPE regime appears to be much weaker over land. Applying the CAPE threshold for lightning over the ocean to the CAPE-based lightning parameterization scheme of Romps et al. (2014), https://doi.org/10.1126/science.1259100 improves its performance, in particular, at representing the land-sea contrast in $\mathcal{f}$.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Climate and hydraulic traits interact to set thresholds for liana viability

Lianas, or woody vines, and trees dominate the canopy of tropical forests and comprise the majority of tropical aboveground carbon storage. These growth forms respond differently to contemporary variation in climate and resource availability, but their responses to future climate change are poorly understood because there are very few predictive ecosystem models representing lianas. We compile a database of liana functional traits (846 species) and use it to parameterize a mechanistic model of liana-tree competition. The substantial difference between liana and tree hydraulic conductivity represents a critical source of inter-growth form variation. Here, we show that lianas are many times more sensitive to drying atmospheric conditions than trees as a result of this trait difference. Further, we use our competition model and projections of tropical hydroclimate based on Representative Concentration Pathway 4.5 to show that lianas are more susceptible to reaching a hydraulic threshold for viability by 2100.

54 ENVIRONMENTAL SCIENCES↗