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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Pair production as a probe for the dynamics of nuclear fission and α decay

Electron-positron pairs can be produced via the Schwinger mechanism in the presence of strong electric fields. In particular, the fields involved in α decay and nuclear fission are strong enough to produce them. The energy of the e⁺⁢e⁻ pair is related to the relative distance and velocity of the daughter nuclei. Thus, the energy distribution of the produced pairs can give information about the dynamics of the fission and α-decay processes. A neck model of nuclear fission is used to illustrate how the pairs can be used as a probe of the dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Proton decays in 16 Ne and 18 Mg and isospin-symmetry breaking in carbon isotopes and isotones

We report that proton-rich nuclei possess unique properties in the nuclear chart. Due to the presence of both continuum coupling and Coulomb interaction, phenomena such as halos, Thomas-Ehrman shift, and proton emissions can occur. Relevant experimental data are difficult to obtain, so that theoretical calculations are needed to understand nuclei at drip lines and to guide experimentalists. In particular, the 16 Ne and 18 Mg isotopes are supposed to be one-proton and/or two-proton emitting nuclei, but associated experimental data are either incomplete or even unavailable. Consequently, we performed Gamow shell model calculations of carbon isotones bearing A = 15 - 18 . Isospin-symmetry breaking occurring in carbon isotones and isotopes is also discussed. It is hereby shown that the mixed effects of continuum coupling and Coulomb interaction at drip lines generate complex patterns in isospin multiplets. Added to that, it is possible to determine the one-proton and two-proton widths of 16 Ne and 18 Mg . Obtained decay patterns are in agreement with those obtained in previous experimental and theoretical works. Moreover, to our knowledge, this is the first theoretical calculation of binding energy and partial decay widths of 18 Mg in a configuration interaction picture.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Enhancement of α -particle formation near Sn 100

The superfluid tunneling model is applied to the calculation of ground-state-to-ground-state α decay in the even-even neutron-deficient Te-Ba nuclei. Here, we show that there is a larger α-particle formation probability in nuclei of this region above 100 Sn when compared to analogous nuclei above 208 Pb. This is consistent with the expected systematic variation of the pair gap Δ as a function of mass number. Finally, the recent experimental data on the α decay of the N=Z nuclei 104 Te and 108 Xe are shown to leave open the possibility of enhanced α-particle formation involving nucleon correlations beyond the standard treatment of like-nucleon pairing, which is the mechanism suggested as underlying "superallowed" α decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Tensor force role in β decays analyzed within the Gogny-interaction shell model

The half-life of the famous C 14 β decay is anomalously long, with different mechanisms: the tensor force, cross-shell mixing, and three-body forces, proposed to explain the cancellations that lead to a small transition matrix element. In this study, we revisit and analyze the role of the tensor force for the β decay of C 14 as well as of neighboring isotopes. We add a tensor force to the Gogny interaction, and derive an effective Hamiltonian for shell-model calculations. The calculations were carried out in a p – s d model space to investigate cross-shell effects. Furthermore, we decompose the wave functions according to the total orbital angular momentum L in order to analyze the effects of the tensor force and cross-shell mixing. The inclusion of the tensor force significantly improves the shell-model calculations of the β -decay properties of carbon isotopes. In particular, the anomalously slow β decay of C 14 can be explained by the isospin T = 0 part of the tensor force, which changes the components of N 14 with the orbital angular momentum L = 0 , 1 , and results in a dramatic suppression of the Gamow-Teller transition strength. At the same time, the description of other nearby β decays are improved. Decomposition of wave function into L components illuminates how the tensor force modifies nuclear wave functions, in particular suppression of β -decay matrix elements. Cross-shell mixing also has a visible impact on the β -decay strength. Inclusion of the tensor force does not seem to significantly change, however, binding energies of the nuclei within the phenomenological interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Humidity-Dependent Electrostatic Charge Decay on Dielectric Surface in Enclosed Volumes

Electrostatic surface charge decay is investigated to determine loss mechanisms, the effect of humidity, enclosure size, and material. This work focuses on charging dielectric and metal surfaces close to the electrical breakdown threshold in atmospheric air under humid and dry conditions. After initial charging to a maximum potential of roughly 30 kV, the associated surface charge is allowed to decay because of recombining with ions from the natural background, resulting in decay times ranging from minutes to hours to days. Spheres with a radius of 50 mm consisting of varying materials (PTFE and metal as referenced later) are charged and tested at relative humidity levels, RH, of 10%, 35%, and 64%. It was found that the ion-ion pair production rate and the enclosure size affected the measured charge decay rate. The impact of air convection on charge decay in the open air (no enclosure) is discussed. The humidity increased the rate of charge decay on the metal and dielectric spheres. For example, in the first 25 minutes after charging, the total charge on the PTFE sphere decreased to 66%or 50% from its initial value in the 10% and 35% RH tests, respectively. An equivalent generation rate is found for the ions in the enclosure, with 10 and 24 ion pairs cm −3 s −1 being generated at a 5% and 49% relative humidity, respectively.

42 ENGINEERING↗
DOE OSTI2023

Controlling electric and magnetic Purcell effects in phosphorene via strain engineering

Here, we investigate the spontaneous emission lifetime of a quantum emitter near a substrate coated with phosphorene under the influence of uniaxial strain. We consider both electric dipole and magnetic dipole-mediated spontaneous transitions from the excited to the ground state. The modeling of phosphorene is performed by employing a tight-binding model that goes beyond the usual low energy description. We demonstrate that both electric and magnetic decay rates can be strongly tuned by the application of uniform strain, ranging from a near-total suppression of the Purcell effect to a remarkable enhancement of more than 1300% due to the high flexibility associated with the puckered lattice structure of phosphorene. We also unveil the use of strain as a mechanism to tailor the most probable decay pathways of the emitted quanta. Our results show that uniaxially strained phosphorene is an efficient and versatile material platform for the active control of light-matter interactions thanks to its extraordinary optomechanical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Photoproduction of pion pairs at high energy and small angles

Here, we explore the photoproduction mechanisms for charged and neutral pion pairs off a heavy nucleus at threshold. We calculate the production of charged pairs in the Coulomb field of the nucleus in the Born approximation using explicit expressions for the differential cross sections and their connection with the total cross section σ(γγ→π + π - ). The production of σ mesons at threshold and their subsequent decay into pions is an important mechanism and is investigated quantitatively in a framework that can be used for both charged and neutral pions. σ mesons can be produced via electromagnetic (photon exchange) or strong (ω exchange) interactions. For neutral pions, another production mechanism consists of the two-step process where charged pions are produced first and then charge exchange into two neutral pions. Differential and total cross sections are computed for each production mechanism.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Experimental and theoretical studies of the doubly substituted methyl-ethyl Criegee intermediate: Infrared action spectroscopy and unimolecular decay to OH radical products

In this work the infrared (IR) action spectrum of the doubly substituted methyl-ethyl Criegee intermediate (MECI) is observed in the CH stretch overtone region with detection of OH products. The MECI exhibits four conformers, all of which undergo unimolecular decay via a 1,4 H-atom transfer mechanism, followed by the rapid release of OH products. Conformers with different orientations of the carbonyl oxide group with respect to the methyl and ethyl substituents (i.e., anti and syn ) decay via distinct transition state barriers (16.1 kcal mol –1 and 15.4 kcal mol –1 , respectively). The observed IR action spectrum is in good agreement with the predicted anharmonic IR absorption spectrum, but exhibits significant congestion, which is attributed to couplings between spectroscopic bright states and nearby dark states. Energy-dependent OH appearance rates are measured upon IR excitation of the strongest features in the IR action spectrum and are found to be on the order of 10 6 –10 7 s –1 . The experimental rates are in good agreement with computed Rice–Ramsperger–Kassel–Marcus rates for the unimolecular decay of MECI at these energies, which incorporate quantum mechanical tunneling and sophisticated hindered rotor treatments, as well as high-level theoretical calculations of the TS barrier heights, rovibrational properties, and torsional barriers associated with the MECI conformers. Master equation modeling is used to predict thermal rates for the unimolecular decay of anti - and syn -MECI of 473 s –1 and 660 s –1 , respectively. Comparison with other previously studied Criegee intermediate systems provides insights into substituent effects on unimolecular decay under both energy-dependent and thermal conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Probing autoionization decay lifetimes of the 4d−16ℓ core-excited states in xenon using attosecond noncollinear four-wave-mixing spectroscopy

The decay of core-excited states is a sensitive probe of autoionization dynamics and correlation effects in many-electron systems, occurring on ultrafast timescales. Xenon, with its dense manifold of autoionizing resonances that can be coupled with near-infrared light, provides a platform to investigate these processes. In this work, the autoionization decay lifetimes of 4d-16ℓ (ℓ = s, p, d, …) core-excited states in xenon atoms are probed with extreme ultraviolet (XUV) attosecond noncollinear four-wave-mixing (FWM) spectroscopy. The 4d{5/2,3/2}-16p XUV-bright states (optically dipole-allowed) exhibit decay lifetimes of ∼6 fs, which is consistent with spectator-type decay. In contrast, the 4d{5/2,3/2}-16s and 4d{5/2,3/2}-16d XUV-dark states (optically dipole forbidden) show longer decay lifetimes of ∼20 fs. Photoionization calculations confirm that all core-hole states with 4d character should decay via spectator channels in ≤6 fs, suggesting that the apparently longer dark-state decay times arise from an alternative mechanism. A few-level simulation of the FWM process shows that the inclusion of a nearby, longer-lived dark state can mimic the experimental FWM signal, suggesting population cycling with a second electronic state with non-4d character. Ab initio calculations support the presence of such multielectron excited states in the 60-70 eV range. These results demonstrate that FWM signals can encode coupled-state dynamics when probing complex systems, highlighting the importance of combining theoretical and experimental approaches to disentangle accurate core-level decay pathways and lifetimes.

Puskar, Nicolette G↗
DOE OSTI2024

Quantum entanglement and Bell inequality violation in semi-leptonic top decays

Abstract Quantum entanglement is a fundamental property of quantum mechanics. Recently, studies have explored entanglement in the$$ t\overline{t} $$ t t ¯ system at the Large Hadron Collider (LHC) when both the top quark and anti-top quark decay leptonically. Entanglement is detected via correlations between the polarizations of the top and anti-top and these polarizations are measured through the angles of the decay products of the top and anti-top. In this work, we propose searching for evidence of quantum entanglement in the semi-leptonic decay channel where the final state includes one lepton, one neutrino, twob-flavor tagged jets, and two light jets from theWdecay. We find that this channel is both easier to reconstruct and has a larger effective quantity of data than the fully leptonic channel. As a result, the semi-leptonic channel is 60% more sensitive to quantum entanglement and a factor of 3 more sensitive to Bell inequality violation, compared to the leptonic channel. In 139 fb −1 (3 ab −1 ) of data at the LHC (HL-LHC), it should be feasible to measure entanglement at a precision of ≲ 3% (0.7%). Detecting Bell inequality violation, on the other hand, is more challenging. With 300 fb −1 (3 ab −1 ) of integrated luminosity at the LHC Run-3 (HL-LHC), we expect a sensitivity of 1.3σ(4.1σ). In our study, we utilize a realistic parametric fitting procedure to optimally recover the true angular distributions from detector effects. Compared to unfolding this procedure yields more stable results.

Physics↗
DOE OSTI2021

Nonradiative relaxation dynamics in the [Au 25- n Ag n (SH) 18 ] -1 ( n = 1, 12, 25) thiolate-protected nanoclusters

Evaluation of the electron-nuclear dynamics and relaxation mechanisms of gold and silver nanoclusters and their alloys is important for future photocatalytic, light harvesting, and photoluminescence applications of these systems. In this work, the effect of silver doping on the nonradiative excited state relaxation dynamics of the atomically precise thiolate-protected gold nanocluster [Au 25- n Ag n (SH) 18 ] –1 ( n = 1, 12, 25) is studied theoretically. Time-dependent density functional theory is used to study excited states lying in the energy range 0.0–2.5 eV. The fewest switches surface hopping method with decoherence correction was used to investigate the dynamics of these states. The HOMO–LUMO gap increases significantly upon doping of 12 silver atoms but decreases for the pure silver nanocluster. Doped clusters show a different response for ground state population increase lifetimes and excited state population decay times in comparison to the undoped system. The ground state recovery times of the S 1 –S 6 states in the first excited peak were found to be longer for [Au 13 Ag 12 (SH) 18 ] –1 than the corresponding recovery times of other studied nanoclusters, suggesting that this partially doped nanocluster is best for preserving electrons in an excited state. The decay time constants were in the range of 2.0–20 ps for the six lowest energy excited states. Among the higher excited states, S 7 has the slowest decay time constant although it occurs more quickly than S 1 decay. Overall, these clusters follow common decay time constant trends and relaxation mechanisms due to the similarities in their electronic structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Resolving Conflicting Physical and Biochemical Feedbacks to Climate in Response to Long-Term Warming

The goal of the research was to increase our understanding of the microbial mechanisms that control soil organic matter decay in the context of a changing climate. We hypothesized that a major source of carbon respired after long-term soil warming is recalcitrant soil C mineralized by microbes. We found that long-term warming was associated with decreased fungal communities but not bacterial communities, with bacterial communities in organic horizon soils significantly affected by warming. Molecular analysis indicated that this community shift was towards a more oligotrophic community, consistent with previously observed decreased in soil organic matter quality and quantity. We further hypothesized that low labile C resulting from long-term warming has selected for a microbial community that is better able to mineralize recalcitrant C. Analysis of soil communities and individual isolates physiology showed that long-term warming caused bacteria to have increased potential lignolytic activitiy as well as increased carbohydrate degradation potential. This increased ability to degrade recalcitrant soil organic matter is suggested as a mechanism for accelerated soil carbon loss with long-term warming. Soil warming was shown to have little change in transcriptional activity or proteins levels of the enzymes related to recalcitrant C, and little change in the temperature sensitivity of enzyme activity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

OC6 Phase Ia: CFD Simulations of the Free-Decay Motion of the DeepCwind Semisubmersible

Currently, the design of floating offshore wind systems is primarily based on mid-fidelity models with empirical drag forces. The tuning of the model coefficients requires data from either experiments or high-fidelity simulations. As part of the OC6 (Offshore Code Comparison Collaboration, Continued, with Correlation, and unCertainty (OC6) is a project under the International Energy Agency Wind Task 30 framework) project, the present investigation explores the latter option. A verification and validation study of computational fluid dynamics (CFD) models of the DeepCwind semisubmersible undergoing free-decay motion is performed. Several institutions provided CFD results for validation against the OC6 experimental campaign. The objective is to evaluate whether the CFD setups of the participants can provide valid estimates of the hydrodynamic damping coefficients needed by mid-fidelity models. The linear and quadratic damping coefficients and the equivalent damping ratio are chosen as metrics for validation. Large numerical uncertainties are estimated for the linear and quadratic damping coefficients; however, the equivalent damping ratios are more consistently predicted with lower uncertainty. Some difference is observed between the experimental and CFD surge-decay motion, which is caused by mechanical damping not considered in the simulations that likely originated from the mooring setup, including a Coulomb-friction-type force. Overall, the simulations and the experiment show reasonable agreement, thus demonstrating the feasibility of using CFD simulations to tune mid-fidelity models.

17 WIND ENERGY↗
DOE OSTI2021

Nucleon clustering at kinetic freezeout of heavy-ion collisions via path-integral Monte Carlo

Clustering of the four-nucleon system at kinetic freezeout conditions is studied using path-integral Monte Carlo techniques. This method seeks to improve upon previous calculations which relied on approximate semiclassical methods or few-body quantum mechanics. Estimates are given for the decay probabilities of the 4N system into various light nuclei decay channels and the strength of spatial correlations is characterized. Additionally, a simple model is presented to describe the impact of this clustering on nucleon multiplicity distributions. Additionally, the effects of a possible modification of the inter-nucleon interaction due to the close critical line (and hypothetical QCD critical point) on the clustering are also studied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Revealing nanomechanical deformation at the interface and degradation in all-thin-film inorganic electrochromic devices

Recently, progress in electrochromic (EC) devices has been made in optimizing electrode and device configurations and performance. However, the ion insertion/de-insertion induced charge transfer (CT) nanomechanical effect has remained unexplored, i.e., repetitive electrode size changes at the nanoscale and stress/strain generated during electrochemical cycling, which is the focus of this work due to its intimate correlation with the elastic and plastic deformation at the interface. Considering the intervalence electrons, excellent electrochemical kinetics, and dramatic color changes, tungsten oxide (WO 3 ) and nickel oxide (NiO) films are configured as the EC cathode and anode materials, respectively, within a full device. Upon extended cycles (>10 000), the void generation and delamination that occurred at the interface account for performance decay. Encouraged by the findings, nanoindentation mechanical tests and electrical kelvin probe force microscopy were employed to investigate the CT induced effects at the interface. There is a dramatic increase of up to 45% in the elastic Young's modulus in colored/charged WO 3 at ~40 mC cm -2 . Here, the correlation between CT and synergistic mechanical effect is interpreted by the Lippman equation. Interestingly, despite the charged state (colored; lithiated) with a relatively flat morphology bringing an ~3.4 times higher electrostatic surface potential, the electrical work function unexpectedly decreases, arising from the dominant effect of the dipole layer potential over the chemical potential. The interatomic cohesive energy and equilibrium distance increase bury the seeds for mechanical deformation in the long run. This work provides fundamental insights into electro-chemo mechanics and interdisciplinary concerted interfacial effects at the nano/atomic level. The dependence of surface potential, stress, work function, and cohesive energy on electrochemical kinetics has been interpreted.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermal Fluid Modeling Approaches in SAM for High Temperature Gas-Cooled Reactor Applications

This paper provides an overview of the unique modeling and simulation challenges and needs in the system and safety analysis of two common types of High Temperature Gas-cooled Reactor (HTGR) designs. The challenges are associated with the complex core geometry configurations and the change of the dominant heat removal mechanisms between normal operating conditions and decay heat removal transients. This requires that simulation tools utilize models with reasonable length scales and capture both the localized heat transfer and the core-scale heat transfer at the same time. To meet such analysis needs, different methodologies were developed. In conclusion, this includes adopting existing methods and further developing/improving them, as well as proposing innovative methods that leverage advanced computational frameworks such as the Multiphysics Object Oriented Simulation Environment (MOOSE).

HTGR↗
DOE OSTI2024

Investigation of cosmic ray impact on transmon qubits with different materials through fast decay detection at Fermilab’s SQMS laboratory

Noise sources affecting superconducting qubits, such as cosmic rays and ambient gamma radiation, have garnered attention for their potential impact. These radiations deposit energy in the qubit's substrate, generating high-energy phonons that break Cooper pairs, leading to the formation of quasi-particles. When these quasi-particles tunnel across Josephson junctions, they induce qubit de-excitation, causing relaxation errors. In this study, we employ a fast feedback mechanism for performing qubit reset to detect decay events with high time resolution. This capability along with frequency multiplexed readout allows us to explore error correlations across time and space. Transmon qubits, manufactured within the Superconducting Quantum Materials and Systems (SQMS) center [1], are investigated at the above-ground lab. We study the impact of cosmic rays on qubits with different encapsulations, geometries, and locations on the same or different chips. We present preliminary findings and discuss the implications for the performance of contemporary quantum hardware.

Roy, Tanay↗
DOE OSTI2022

Decay of the Λ(1405) hyperon to Σ 0 π 0 measured at GlueX

Among the light baryons, the J π = 1/2 - Λ(1405) hyperon is an important special case as it sits just below the $N\bar{K}$ threshold and decays almost exclusively to Σ π . Some long-standing hypotheses for Λ(1405) are that it could be a $N\bar{K}$ bound state or a Σ π continuum resonance. It may also be considered as a simple quark-model resonance, the P -wave companion of the Λ(1520). In recent years chiral unitary models have suggested that there are two isospin zero poles present in this mass region, and that the “line shape" of the Λ(1405) depends to what extent each of the two poles are stimulated in a given reaction. Below the $N\bar{K}$ threshold, the Λ(1405) decays to the three Σ π charge combinations. The Σ 0 π 0 mode is purely I = 0 and it is uncontaminated by complications arising from I = 1 scattering processes contributing to the reaction mechanism in the Σ + π - and Σ - π + decays. It is also not affected from production and decay of the nearby Σ 0 (1385) hyperon. The GlueX experiment at Jefferson Lab has been used to study the Λ(1405) → Σ 0 π 0 decay mode. We focus on the preliminary results of dσ/dM Σ 0 π 0 and fits to the line shape of the Λ(1405) region in the -( t - t min ) range 0 - 1.5 GeV 2 from analyzing the reaction γp → K + Λ * using the data collected during the first phase of the GlueX program.

Wickramaarachchi, Nilanga↗