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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Active Site Dynamics in Molybdenum-Based Silica-Supported Olefin Metathesis Catalysts: Site Renewal and Decay Beyond the Chauvin Cycle

Heterogeneous olefin metathesis catalysts exhibit low active site densities and unpredictable kinetics due to dynamic active site formation and decay processes. Here, in this study, we establish a quantitative framework that captures active site generation, renewal, and decay in olefin metathesis over silica-supported molybdenum oxide catalysts, enabling a mechanistic explanation of catalytic behavior and strategies to achieve high, stable activity. Steady-state active site titrations reveal that 2,3-dimethyl-butene isomers (4MEs) cofeeding increases active site density by up to 4.3-fold, directly correlating with enhanced metathesis rates. Spectroscopic studies demonstrate that 4MEs facilitate Mo(VI) reduction to Mo(IV) and interact strongly with surface Si–OH groups, generating labile protons that promote active site formation via a 1,2-proton shift mechanism. Kinetic modeling indicates that ethylene acts as a decay promoter, shifting kinetic control away from the Chauvin cycle and suppressing metathesis activity. Comparative studies on catalysts with varying Mo loading reveal that promotion is most effective for dispersed molybdate species, with a decline at higher Mo loadings. These findings provide a unified mechanistic framework for heterogeneous olefin metathesis, offering new strategies to enhance active site accessibility, mitigate deactivation, and optimize catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

$|\Delta \mathcal{B}| =2$: A State of the Field, and Looking Forward--A brief status report of theoretical and experimental physics opportunities

The origin of the matter-antimatter asymmetry apparently obligates the laws of physics to include some mechanism of baryon number ($\mathcal{B}$) violation. Searches for interactions violating $\mathcal{B}$ and baryon-minus-lepton number $\mathcal{(B-L)}$ represent a rich and underutilized opportunity. These are complementary to the existing, broad program of searches for $\mathcal{L}$-violating modes such as neutrinoless double $\beta$-decay which could provide deeper understandings of the plausibility of leptogenesis, or $\mathcal{B}$-violating, $\mathcal{(B-L)}$-conserving processes such as proton decay. In particular, a low-scale, post-sphaleron violation mechanism of $\mathcal{(B-L)}$ could provide a \textit{testable} form of baryogenesis. Though theoretically compelling, searches for such $\mathcal{(B-L)}$-violating processes like $\Delta\mathcal{B}=2$ dinucleon decay and $n\rightarrow\bar{n}$ remain relatively underexplored experimentally compared to other rare processes. By taking advantage of upcoming facilities such as the Deep Underground Neutrino Experiment and the European Spallation Source, this gap can be addressed with new intranuclear and free searches for neutron transformations with very high sensitivity, perhaps greater than three orders of magnitude higher than previous experimental searches. This proceedings reports on recent theoretical and experimental advances and sensitivities of next-generation searches for neutron transformations were detailed as part of the Amherst Center for Fundamental Interactions Workshop, "Theoretical Innovations for Future Experiments Regarding Baryon Number Violation," directly coordinated with the Rare Processes and Precision Measurements Frontier.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

No evidence for a strong decrease of planetesimal accretion in old white dwarfs

ABSTRACT A large fraction of white dwarfs are accreting or have recently accreted rocky material from their planetary systems, thereby ‘polluting’ their atmospheres with elements heavier than helium. In recent years, the quest for mechanisms that can deliver planetesimals to the immediate vicinity of their central white dwarfs has stimulated a flurry of modelling efforts. The observed time evolution of the accretion rates of white dwarfs through their multi-Gyr lifetime is a crucial test for dynamical models of evolved planetary systems. Recent studies of cool white dwarf samples have identified a significant decrease of the mass accretion rates of cool, old white dwarfs over Gyr time-scales. Here, we revisit those results using updated white dwarf models and larger samples of old polluted H- and He-atmosphere white dwarfs. We find no compelling evidence for a strong decrease of their time-averaged mass accretion rates for cooling times between 1 and 8 Gyr. Over this period, the mass accretion rates decrease by no more than a factor of the order of 10, which is one order of magnitude smaller than the decay rate found in recent works. Our results require mechanisms that can efficiently and consistently deliver planetesimals inside the Roche radius of white dwarfs over at least 8 Gyr.

Blouin, Simon (ORCID:0000000296321436)↗
DOE OSTI2023

Baryogenesis from decaying magnetic helicity in axiogenesis

Generating axion dark matter through the kinetic misalignment mechanism implies the generation of large asymmetries for Standard Model fermions in the early universe. Even if these asymmetries are washed out at later times, they can trigger a chiral plasma instability in the early universe. Similarly, a direct coupling of the axion with the hypercharge gauge field can trigger a tachyonic instability. These instabilities produce helical magnetic fields, which are preserved until the electroweak phase transition. At the electroweak phase transition, these become a source of baryon asymmetry, which can be much more efficient than the original axiogenesis proposal. We discuss constraints on axion dark matter production from the overproduction of the baryon asymmetry as well as a minimal, albeit fine-tuned setup, where both the correct dark matter abundance and baryon asymmetry can be achieved. For a given axion decay constant, this leads to a sharp prediction for the mass of the radial direction of the Peccei Quinn field, which is a soft mass scale in supersymmetric theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

A supersymmetric theory of baryogenesis and sterile sneutrino dark matter from B mesons

Low-scale baryogenesis and dark matter generation can occur via the production of neutral B mesons at MeV temperatures in the early Universe, which undergo CP-violating oscillations and subsequently decay into a dark sector. In this work, we discuss the consequences of realizing this mechanism in a supersymmetric model with an unbroken U(1) R symmetry which is identified with baryon number. B mesons decay into a dark sector through a baryon number conserving operator mediated by TeV scale squarks and a GeV scale Dirac bino. The dark sector particles can be identified with sterile neutrinos and their superpartners in a type-I seesaw framework for neutrino masses. The sterile sneutrinos are sufficiently long lived and constitute the dark matter. The produced matter-antimatter asymmetry is directly related to observables measurable at B factories and hadron colliders, the most relevant of which are the semileptonic-leptonic asymmetries in neutral B meson systems and the inclusive branching fraction of B mesons into hadrons and missing energy. We discuss model independent constraints on these experimental observables before quoting predictions made in the supersymmetric context. Constraints from astrophysics, neutrino physics and flavor observables are studied, as are potential LHC signals with a focus on novel long lived particle searches which are directly linked to properties of the dark sector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Effects cascade debris and helium bubbles on the strength of aged plutonium

The radioactive decay of aging Pu is dominated by α-decay. This persistent α-decay produces crystalline defects in the form of dislocation loops and helium bubbles that evolve with time. Comparable defects are produced in other metallic alloys when subject to neutron irradiation, and these defects are known to modify the plastic deformation of irradiated materials. Models have been developed for these irradiated materials and validated against experimental confirmations of yield strength and the concomitant microstructural evolution. In this paper, we deploy those previously developed models and apply their mechanics to plutonium aging.

Chemical elements↗
DOE OSTI2026

Constraining capture cross sections using proton inelastic scattering as a surrogate reaction

The surrogate reaction method is an alternative to direct measurements of compound nuclear reaction cross sections. We introduce theory tools for extracting capture cross sections from experiments that use proton inelastic scattering as a surrogate reaction mechanism. This makes it possible to constrain compound nucleus decay models which are typically the largest source of uncertainty in capture cross section calculations. This letter describes the theory developments that were used to simultaneously infer 89 Y(p, γ) and 89 Zr(n, γ) cross sections from 90 Zr(p, p′γ) surrogate measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Preliminary Analysis of Source Physics Experiment Explosion-Triggered Microseismicity Using the Back-Projection Method

A series of four chemical explosions were detonated in a deep borehole within the Yucca Flat Dry Alluvium Geology (DAG) at the Nevada National Security Site between 2018 and 2019. The two larger chemical explosions of 50 tons (DAG-2) and 10 tons (DAG-4) TNT equivalent yield triggered energetic aftershock sequences numbering 1392 and 347 microearthquakes, respectively, within the first 10 days. No significant aftershock activity was observed for the two smaller 1-ton explosions (DAG-1 and DAG-3). Here, we used a back-projection method based on travel-time migration and stacking of signal-to-noise ratio traces to detect, associate and locate aftershocks from a subset of 22-geophones within a larger 2 urn:x-wiley:21699313:media:jgrb54910:jgrb54910-math-0001 2 km seismic array surrounding the borehole. The aftershocks located within 300 m of the borehole and the depths were above the working points of 300 and 50 m depths of DAG-2 and DAG-4, respectively, ruling out triggering slip on geologic faults or disturbances beneath neighboring collapse craters. DAG-2 and DAG-4 aftershocks decayed at similar rates, with power-law exponents of p = 1.48 and p = 1.49, respectively. These decay rates are comparable to aftershocks sequences triggered by earthquakes and historical nuclear explosions at Yucca Flat. A smooth power-law aftershock decay within the first 10 days suggests a triggering mechanism from explosion generated stress relaxation due to the diffusion of high gas pressures in the cavity and radial fractures. A more random and episodic aftershock rate would be expected due to cavity collapse or falling rubble in chimney formation.

58 GEOSCIENCES↗
DOE OSTI2026

Numerical Simulation of a Natural Convection–Driven Air-Cooled Reactor Cavity Cooling System Experiment

Ensuring the efficient removal of decay heat from the reactor vessel is essential for the safety of advanced reactor technologies. Several Generation-IV concepts incorporate variations in the reactor vessel cooling systems to achieve this objective. High-temperature gas-cooled reactors utilize a reactor cavity cooling system (RCCS), a passive ex-vessel system designed to operate without active components or external power during accident conditions. The RCCS removes decay heat primarily through radiative and convective heat transfer mechanisms. Here, this study presents a comprehensive validation of a computational fluid dynamics Reynolds-averaged Navier-Stokes model for the University of Wisconsin-Madison air-cooled RCCS facility. Validation was conducted for both high- and low-power natural convection cases under a uniform heating profile. Near-wall resolution was found to be critical for accurately modeling natural convection in the RCCS; employing an all-𝑦 + wall treatment resulted in wall temperature discrepancies exceeding 50 °⁢𝐶 compared to a wall-resolved mesh. Thermal-hydraulic behaviors under natural and forced convection conditions were compared within the heated cavity and RCCS. A turbulence model sensitivity analysis indicated that low-Reynolds number k-ɛ, k-ω shear stress transport (SST), and Reynolds stress transport models produce similar wall temperature predictions. A buoyancy modeling sensitivity study revealed that the Boussinesq approximation significantly underpredicted thermal-hydraulic behavior in the RCCS. Based on these findings, modeling recommendations are provided. The validated data set along with identified sensitivities refine the modeling of natural convection in the RCCS. The information produced by this study supports RCCS design, optimization, and safety evaluations, enabling the calibration and verification of reduced-order thermal-hydraulic models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

A puzzle solved after two decades: SN 2002gh among the brightest of superluminous supernovae

ABSTRACT We present optical photometry and spectroscopy of the superluminous SN 2002gh from maximum light to +204 d, obtained as part of the Carnegie Type II Supernova (CATS) project. SN 2002gh is among the most luminous discovered supernovae ever, yet it remained unnoticed for nearly two decades. Using Dark Energy Camera archival images we identify the potential supernova (SN) host galaxy as a faint dwarf galaxy, presumably having low metallicity, and in an apparent merging process with other nearby dwarf galaxies. We show that SN 2002gh is among the brightest hydrogen-poor SLSNe with MV = −22.40 ± 0.02, with an estimated peak bolometric luminosity of 2.6 ± 0.1 × 1044 erg s−1. We discount the decay of radioactive nickel as the main SN power mechanism, and assuming that the SN is powered by the spin-down of a magnetar we obtain two alternative solutions. The first case, is characterized by significant magnetar power leakage, and Mej between 0.6 and 3.2 M⊙, Pspin = 3.2 ms, and B = 5 × 1013 G. The second case does not require power leakage, resulting in a huge ejecta mass of about 30 M⊙, a fast spin period of Pspin ∼ 1 ms, and B ∼ 1.6 × 1014 G. We estimate a zero-age main-sequence mass between 14 and 25 M⊙ for the first case and of about 135 M⊙ for the second case. The latter case would place the SN progenitor among the most massive stars observed to explode as an SN.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Strong and Weak C P Tests in Sequential Decays of Polarized Σ 0 Hyperons

The J / ψ , ψ ( 3686 ) → Σ 0 Σ ¯ 0 processes and subsequent decays are studied using the world’s largest J / ψ and ψ ( 3686 ) data samples collected with the BESIII detector. The parity-violating decay parameters of the decays Σ 0 → Λ γ and Σ ¯ 0 → Λ ¯ γ , α Σ 0 = − 0.0017 ± 0.0021 ± 0.0018 and α ¯ Σ 0 = 0.0021 ± 0.0020 ± 0.0022 , are measured for the first time. The strong C P symmetry is tested in the decays of the Σ 0 hyperons for the first time by measuring the asymmetry A C P Σ = α Σ 0 + α ¯ Σ 0 = ( 0.4 ± 2.9 ± 1.3 ) × 10 − 3 . The weak C P test is performed in the subsequent decays of their daughter particles Λ and Λ ¯ . Also for the first time, the transverse polarizations of the Σ 0 hyperons in J / ψ and ψ ( 3686 ) decays are observed with opposite directions, and the ratios between the S -wave and D -wave contributions of the J / ψ , ψ ( 3686 ) → Σ 0 Σ ¯ 0 decays are obtained. These results are crucial to understand the decay dynamics of the charmonium states and the production mechanism of the Σ 0 − Σ ¯ 0 pairs. Published by the American Physical Society 2024

Physics↗
DOE OSTI2025

Parametric coincidence in the baryon to dark matter ratio from Affleck-Dine baryogenesis and UV freeze-in dark matter

We highlight that the observed concurrence between the baryon and dark matter relic densities can be explained via a parametric coincidence between two distinct production mechanisms: Affleck-Dine baryogenesis and dark matter UV freeze-in. In the Affleck-Dine mechanism, the baryon asymmetry is naturally proportional to the inflationary reheating temperature 𝑇 rh , which also plays a critical role in setting the relic abundance of UV freeze-in dark matter. Since Affleck-Dine baryogenesis requires flat directions in the potential, the framework is inherently supersymmetric, offering compelling UV freeze-in dark matter candidates such as the gravitino. We outline scenarios in which 𝑇 rh simultaneously determines both relic abundances, resulting in a baryon-to-dark matter ratio of order unity that is largely insensitive to 𝑇 rh . We also discuss the conditions required to avoid Q-ball formation or dark matter production by other mechanisms, such as next-to-lightest supersymmetric particle decays, to preserve the parametric coincidence between baryon and dark matter abundances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Charmonium Transport in Heavy-Ion Collisions at the LHC

We provide an update on our semi-classical transport approach for quarkonium production in high-energy heavy-ion collisions, focusing on 𝐽/𝜓 and 𝜓(2𝑆) mesons in 5.02 TeV Pb-Pb collisions at the Large Hadron Collider (LHC) at both forward and mid-rapidity. In particular, we employ the most recent charm-production cross sections reported in pp collisions, which are pivotal for the magnitude of the regeneration contribution, and their modifications due to cold-nuclear-matter (CNM) effects. Multi-differential observables are calculated in terms of nuclear modification factors as a function of centrality, transverse momentum, and rapidity, including the contributions from feeddown from bottom hadron decays. For our predictions for 𝜓(2𝑆) production, the mechanism of sequential regeneration relative to the more strongly bound 𝐽/𝜓 meson plays an important role in interpreting recent ALICE data.

Astronomy & Astrophysics↗
DOE OSTI2021

Long-range model of vibrational autoionization in core-nonpenetrating Rydberg states of NO

In high orbital angular momentum (ℓ ≥ 3) Rydberg states, the centrifugal barrier hinders the close approach of the Rydberg electron to the ion-core. As a result, these core-nonpenetrating Rydberg states can be well described by a simplified model in which the Rydberg electron is only weakly perturbed by the long-range electric properties (i.e., multipole moments and polarizabilities) of the ion-core. We have used a long-range model to describe the vibrational autoionization dynamics of high-ℓ Rydberg states of nitric oxide (NO). In particular, our model explains the extensive angular momentum exchange between the ion-core and the Rydberg electron that had been previously observed in vibrational autoionization of f (ℓ = 3) Rydberg states. These results shed light on a long-standing mechanistic question around these previous observations and support a direct, vibrational mechanism of autoionization over an indirect, predissociation-mediated mechanism. In addition, our model correctly predicts newly measured total decay rates of g (ℓ = 4) Rydberg states because for ℓ ≥ 4, the non-radiative decay is dominated by autoionization rather than predissociation. We examine the predicted NO + ion rotational state distributions generated by vibrational autoionization of g states and discuss applications of our model to achieve quantum state selection in the production of molecular ions.

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

Fine-scale cation dynamics and control by Rhodonia placenta and Pleurotus ostreatus during wood decay

Fungi are the primary decomposers of wood across the globe. They redistribute the vast pool of wood carbon to other parts of the carbon cycle using mechanisms that also have intriguing potential in bioconversion and biotechnology applications. To make a living in the relatively sparse microenvironment of wood, these filamentous fungi must import many of their needs, including cations. Understanding the timing of cation import can help us validate the functions of cations in wood decay and create a clearer understanding of these complex wood degradation mechanisms. In this study, we resolved cation timing dynamics across space for two fungi (brown rot fungus Rhodonia placenta and white rot fungus Pleurotus ostreatus) using a wood wafer system. We found some expected patterns of the cation dynamics for both fungi, and a clear role for iron at the early stages of brown rot decay. On the other hand, the lack of an increase in manganese during initial white rot decay was surprising. Unexpectedly, we also saw a spike in copper during early brown rot decay that demands more investigation as a potential player in the brown rot mechanism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Implications of the weak gravity conjecture for de Sitter space decay by flux discharge

We examine the implications of the weak gravity conjecture for the mechanisms for discharging cosmological constant via membrane nucleations. Once screening fluxes and membranes which source them enter, and weak gravity bounds are enforced, a generic de Sitter space must be unstable. We show that when all the flux terms which screen and discharge the cosmological constant are dominated by quadratic and higher order terms, the bounds from weak gravity conjecture and naturalness lead toward anthropic outcomes. In contrast, when the flux sectors are dominated by linear flux terms, anthropics may be avoided, and the cosmological constant may naturally decay toward smallest possible values. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2023

Flavor-changing light bosons with accidental longevity

We consider a model with a complex scalar field that couples to (e, μ) or (μ, τ) within the “longevity” window: [|m l 1 – m l 2 |, m l 1 + m l 2 ] in which l 1 and l 2 are the two different charged leptons. Within such a mass window, even a relatively large coupling (e.g. of the size commensurate with the current accuracy/discrepancy in the muon g – 2 experiment) leads to long lifetimes and macroscopic propagation distance between production and decay points. We propose to exploit several existing neutrino experiments and one future experiment to probe the parameter space of this model. For the μ – e sector, we exploit the muonium decay branching ratio and the production and decay sequence at the LSND experiment, excluding the parametric region suggested by g μ – 2 anomaly. For the τ – μ sector, we analyze three main production mechanisms of scalars at beam dump experiments: the Drell-Yan process, the heavy meson decay, and the muon scattering. We explore the constraints from the past CHARM and NuTeV experiments, and evaluate sensitivity for the proposed beam dump experiment, SHiP. The latter can thoroughly probe the parameter space relevant for the g μ – 2 anomaly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Higgs boson decay to charmonia via $\mathcal{c}$-quark fragmentation

We calculate the decay branching fractions of the Higgs boson to $J/ψ$ and $n_c$ via the charm-quark fragmentation mechanism for the color-singlet and color-octet states in the framework of non-relativistic QCD. The decay rates are governed by the charm-quark Yukawa coupling, unlike the decay H → $J/ψ$ +γ, which is dominated by the $γ^*- J/ψ$ mixing. We find that the decay branching fractions can be about 2 x 10 -5 for H →$c\bar c$ + $J/ψ$, and 6 x 10 -5 for H →$c\bar c$ + $n-c$. We comment on the perspective of searching for the Higgs boson to $J/ψ$ transition at the High-Luminosity LHC for testing the charm-quark Yukawa coupling.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗