Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “BOUND STATE”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

High-spin states in 60 Cu and implications for states in the mirror nucleus 60 Ga

High-spin states in 60 Cu are investigated on the basis of reaction-channel-selected 𝛾-ray spectroscopy. Data stem from three experiments that used the same fusion-evaporation reaction at similar beam energies. The Gammasphere 𝛾-ray spectrometer was combined with the Microball CsI(Tl) detector array and sets of liquid-scintillator neutron detectors which allowed us to identify and tag on evaporated light charged particles and neutrons, respectively. A level scheme is proposed which comprises more than 300 𝛾-ray transitions connecting more than 100 excited states. Predictions from cranked Nilsson-Strutinsky calculations describe the observed high-spin collective structures in 60 Cu. Predictions of shell-model calculations are probed with a suite of low- to medium-spin states of both parities. Taking into account isospin-symmetry-breaking terms in these calculations, a case study of the yrast line of the weakly bound mirror nucleus 60 Ga is presented.

Rudolph, Dirk [Lund University (Sweden)] (ORCID:00↗
DOE OSTI2024

Resonance plasmonic coupling: selective enhancement of band edge emission over trap state emission of CdSe quantum dots

The photoluminescence properties of quantum dots (QDs) are often enhanced by eliminating surface trap states through chemical methods. Alternatively, a physical approach is presented here for improving photoluminescence purity in QDs by employing frequency-specific plasmon resonance coupling. Emitter-bound plasmonic hybrids are designed by electrostatically binding negatively charged QDs in water to positively charged gold nanoparticles having a thin polymer coating. Herein, two types of QDs are used: (i) bare CdSe, which exhibits both band edge and trap state emission, and (ii) CdSe overcoated with a ZnS shell (CdSe/ZnS) devoid of trap state emission. Tuning the extinction spectrum of the plasmonic system to match the band edge emission of CdSe enables the selective enhancement of band edge emission over trap state emission. Excellent match in the extinction spectrum of the gold nanoparticle with both, experimentally calculated photoluminescence enhancement factor and theoretically calculated radiative rate enhancement signifies the role of frequency-specific plasmon resonance coupling. Plasmon-coupled photoluminescence of CdSe/ZnS is further investigated by varying the number density of emitter on the surface of plasmonic nanoparticle. An enhancement in the photoluminescence is observed at a lower emitter density of CdSe/ZnS and the photoluminescence enhancement factor closely follows the plasmon resonance. However, photoluminescence quenching occurs with an increase in CdSe/ZnS due to plasmon-assisted nonradiative energy transfer between nearby QDs, as indicated by a red shift in the PL maximum. These studies establish that resonance plasmonic coupling is a convenient physical strategy for tuning the intrinsic photoluminescence properties of QDs for various optoelectronic applications.

Paul, Livin↗
DOE OSTI2022

Mirror nucleon removal reactions in p-shell nuclei

Nucleon removal reactions have been shown to be an effective tool for studying the single particle structure of nuclei. This work continues efforts to experimentally probe and benchmark the reaction and structure models used to calculate the removal reaction cross sections when using microscopic nuclear structure inputs. Here, three different single nucleon removal reactions were performed, from p -shell nuclei with masses A = 7, 9, and 10. The residual nuclei from the reactions were detected in coincidence with γ rays to determine partial cross sections to individual final states. The eikonal direct-reaction model is combined with overlap functions and residual nucleus densities from microscopic, variational Monte Carlo calculations to provide consistent nuclear structure input to the partial cross section calculations. Comparisons of measured and calculated cross sections, including for mirror reactions, are presented. The analysis of the partial cross sections leading to the ground states shows a similar behavior to the one observed from analyses of inclusive cross sections using shell model nuclear structure input: the theoretical description of the removal process is in better agreement with the data when removing weakly bound nucleons, than when removing well-bound ones. The two mirror reaction pairs presented here show consistent results between the respective members of the pairs. The results obtained for the population of the excited states, however, show a systematically different trend that appears connected to the structure part of the calculation. Additional cases are needed to better understand the respective roles of structure and dynamical effects in the deviations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Fluctuations in Extractable Work Bound the Charging Power of Quantum Batteries

We study the connection between the charging power of quantum batteries and the fluctuations of the extractable work. We prove that in order to have a non-zero rate of change of the extractable work, the state of the battery cannot be an eigenstate of a ‘free energy operator’, which characterizes the free energy of a system. We do so by proving that fluctuations in the free energy operator upper bound the charging power of a quantum battery. Our findings also suggest that quantum coherence in the battery enhances the charging process, which we illustrate on a toy model of a heat engine.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Dynamic Power Network State Estimation with Asynchronous Measurements

The operation of distribution networks is becoming increasingly volatile, due to fast variations of renewables and, hence, net-loading conditions. To perform a reliable state estimation under these conditions, this paper considers the case where measurements from meters, phasor measurement units, and distributed energy resources are collected and processed in real time to produce estimates of the state at a fast time scale. Streams of measurements collected in real time and at heterogenous rates render the underlying processing asynchronous, and poses severe strains on workhorse state estimation algorithms. In this work, a real-time state estimation algorithm is proposed, where data are processed on the fly. Starting from a regularized least-squares model, and leveraging appropriate linear models, the proposed scheme boils down to a linear dynamical system where the state is updated based on the previous estimate and on the measurement gathered from a few available sensors. The estimation error is shown to be always bounded under mild condition. Numerical simulations are provided to corroborate the analytical findings.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Multi Time-scale Imputation aided State Estimation in Distribution System

With the transition to a smart grid, we are witnessing a significant growth in sensor deployments and smart metering infrastructure in the distribution system. However, information from these sensors and meters are typically unevenly sampled at different time-scales and are incomplete. It is critical to effectively aggregate these information sources for situational awareness. In order to reconcile the heterogeneous multi-scale time-series data, we present a multi-task Gaussian process framework. This framework exploits the spatio-temporal correlation across the time-series data to impute data at any desired timescale while providing confidence bounds on the imputations. The value of the imputed data for distribution system operation is illustrated via a matrix completion based state estimation strategy. Results on the IEEE 37 bus distribution system reveals the superior performance of the proposed approach relative to linear interpolation approaches.

Dahale, Shweta↗
DOE OSTI2022

Formation of the skyrmionic polaron by Rashba and Dresselhaus spin-orbit coupling

Skyrmions in reduced dimensions such as thin layers and interfaces are of both fundamental and technological importance. In these systems, itinerant electrons are often present together with the Rashba and Dresselhaus spin-orbit coupling (SOC). Here, in this study, we show that an itinerant electron in the presence of these interactions can nucleate the skyrmion state, even when the standard Dzyaloshinskii-Moriya interaction (DMI) is absent, and the electron can become self-trapped in the skyrmion core, forming the “skyrmionic polaron” (SkP). The formation of the SkP is investigated from a continuum model of the electron, exchange coupled to the lattice spins, by solving the appropriate Euler-Lagrange equations. The skyrmion (antiskyrmion) texture is favored by the Rashba (Dresselhaus) SOC, with the binding energy increasing quadratically with the strength of the interaction. In contrast, if the skyrmion is already formed due to a nonzero DMI, the electron is delocalized and avoids the skyrmion core until the strength of the Rashba or Dresselhaus SOC exceeds a critical value. Below this critical value, the electron is not bound to the skyrmion core, the polaron does not form, and the electron has little effect on the skyrmion state. Our work envisions the possibility of manipulating the skyrmion state in device applications by altering the strength of the Rashba or Dresselhaus interactions, e.g., by an external electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Numerical simulation of asteroid geometry variance on airburst threat

For an atmospheric airburst the primary source of concern when assessing uncertainty is the size and velocity. Determining these properties provides the basis for threat assessment, as the total energy of the asteroid may then be estimated, and the threat investigated thoroughly. Even with clarity as to how much energy an asteroid may deposit, a great deal of uncertainty still exists for the actual energy deposition process. One such source of uncertainty is the geometry of the incoming asteroid. The geometry of an asteroid will alter the stress distribution during entry, which adds uncertainty to when fracture will occur. Here, in this study, we use Smoothed Particle Hydrodynamics to model the atmospheric airburst of Tunguska-scale asteroids with varying geometric profiles, including a sphere, ellipsoid, binary and superellipsoid. Each asteroid is modeled as a homogenous structure with strength. We assess uncertainty through a series of planar 2D simulation cases for each geometry, comparing the source of stochasticity across geometries. A single 3D airburst simulation for each geometry is also analyzed. Additionally, the 3D cases are compared to the highly uncertain Tunguska event, predicting variance in burst height across geometries, but all bounded by theoretical burst heights proposed for Tunguska.

Airburst↗
DOE OSTI2023

J/ψ Near-Threshold Photoproduction off the Proton and Neutron with CLAS12

In recent years, J/? photoproduction in the near-threshold region has seen a renewed theoretical interest due to the wealth of information it has to offer. Near-threshold J/? photopro-duction proceeds through the exchange of gluons in the t-channel and is expected to provide unique insight about the nucleon gluonic gravitational form factors (GFFs). Previous studies at the Thomas Jefferson National Accelerator Facility (JLab) in Virginia, USA, have already measured the total and differential cross section of J/? near-threshold photoproduction on the free proton. This thesis presents the first measurements of J/? near-threshold photoproduction on the bound proton and bound neutron in a deuteron target. The CEBAF Large Acceptance Spectrometer at 12 GeV (CLAS12) based at JLab?s Hall B uses a 11 GeV electron beam impinging on a fixed liquid deuteron target. J/? is then produced via the exchange of a quasi-real photon and decays to a lepton pair which is detected along-side the recoil nucleon by CLAS12. Analysis procedures and in particular machine learning based techniques were developed in order to correctly identify final state particles and select J/? photoproduction events. The total and differential cross section of J/? near-threshold photoproduction on the bound proton and bound neutron were then measured from the detected J/? photoproduction events. The measurements of the cross sections on the bound proton and bound neutron agree well within their statistical uncertainty. This is consistent with the assumed two-gluon exchange production mechanism which is isospin invariant. Overall a first measurement of the J/? near-threshold photoproduction cross sections on the bound proton and bound neutron was achieved. A better understanding of the mechanical properties of the nucleon, such as pressure and mass distributions, can be obtained by relating J/? production to the nucleon GFFs. This opens the way for exciting new insights into the internal structure of the nucleon, and in particular of the nucleon?s gluonic content. An upcoming overhaul of the CLAS12 reconstruction will increase the reconstruction efficiency and the statis- tical precision of the preliminary measurements described in this thesis, with an expected gain in statistics of at least 50%. Future upgrades at JLab will allow to test some of the theoretical assumptions made in relating J/? near-threshold photoproduction to the nucleon GFFs

Tyson, Richard↗
DOE OSTI2025

Non-Gaussian Generalized Two-Mode Squeezing: Applications to Two-Ensemble Spin Squeezing and Beyond

Bosonic two-mode squeezed states are paradigmatic entangled Gaussian states that have wide utility in quantum information and metrology. Here, in this study, we show that the basic structure of these states can be generalized to arbitrary bipartite quantum systems in a manner that allows simultaneous, Heisenberg-limited estimation of two independent parameters for finite-dimensional systems. Further, we show that these general states can always be stabilized by a relatively simple Markovian dissipative process. In the specific case where the two subsystems are ensembles of two-level atoms or spins, our generalized states define a notion of two-mode spin squeezing that is valid beyond the Gaussian limit and that enables true multiparameter estimation. We discuss how generalized Ramsey measurements allow one to reach the two-parameter quantum Cramér-Rao bound, and how the dissipative preparation scheme is compatible with current experiments.

Mamaev, Mikhail [Univ. of Chicago, IL (United Stat↗
DOE OSTI2025

Conical intersections shed light on hot carrier cooling in quantum dots

Experimental observations of vibronic coherences in electronically excited colloidal semiconductor nanocrystals offer a window into the ultrafast dynamics of hot carrier cooling. In previous work, we showed that, in amine-passivated quantum dots (QDs), these coherences arise during relaxation through a cascade of conical intersections between electronically excited states. Here, in this work, we demonstrate the generality of this framework by application to QDs with surface-bound carboxylate ligands. A model involving a similar cascade of conical intersections accurately reproduces the frequencies of vibronic coherences observed with broadband multidimensional spectroscopy. The impact of ligands on the relaxation dynamics is attributed to two distinct mechanisms involving either electronic or vibrational coupling between the core and ligands. Compared to the amine-passivated QDs studied previously, the electronic coupling mechanism is less prominent in carboxylate-passivated QDs. Furthermore, comparison of acetate and formate ligands reveals that truncating the ligand alkyl chains alters the relaxation behavior predicted by the model.

14 SOLAR ENERGY↗
DOE OSTI2020

Examination of the inversion of isobaric analogue states in mirror nuclei

A recent study by Hoff and collaborators [Nature (London) 580, 52 (2020)] presented evidence that the ground-state spin of [Math Processing Error] is different from that of its mirror, [Math Processing Error], likely due to an inversion of the ground- and first-excited states. Here, we assess the likelihood of such an inversion arising from normal isospin-symmetry breaking and, more broadly, whether such phenomena challenge our understanding of charge-symmetry-breaking forces in atomic nuclei. By placing the result within the context of previous experimental and theoretical work we demonstrate that this inversion lies entirely within the bounds of normal isospin-symmetry-breaking behavior. We further note that, in the context of isospin, neither level inversions nor the nuclear ground state hold any special significance.

59 ≤ A ≤ 89↗
DOE OSTI2025

Bichromatic moiré superlattices for tunable quadrupolar trions and correlated states

Moiré superlattices in transition metal dichalcogenide heterostructures provide a platform to engineer many-body interactions. Here, we realize a bichromatic moiré superlattice in an asymmetric WSe2/WS2/WSe2 heterotrilayer by combining R- and H-stacked bilayers with mismatched moiré wavelengths. This structure hosts fermionic quadrupolar moiré trions—interlayer excitons bound to an opposite-layer hole—with vanishing dipole moments. These trions arise from hybridized moiré potentials enabling multiple excitonic orbitals with tunable interlayer coupling, allowing control of excitonic and electronic ground states. We show that an out-of-plane electric field could effectively reshape moiré excitons and interlayer-intralayer electron correlations, driving a transition from interlayer to intralayer Mott states with enhanced Coulomb repulsion. The asymmetric stacking further enriches excitonic selection rules, broadening opportunities for spin-photon engineering. Our results demonstrate bichromatic moiré superlattices as a reconfigurable platform for emergent quantum states, where quadrupolar moiré trion emission may enable coherent and entangled quantum light manipulation.

Chen, Mingfeng [Washington University in St. Louis↗
DOE OSTI2024

Comparative life cycle analysis on ethylene production from electrocatalytic reduction of carbon dioxide

Ethylene is one of the largest greenhouse gas emitters and the most diversly used commodity chemicals globally. Electrocatalytic reduction of CO 2 to ethylene received great attention from the research society to decarbonize the ethylene production. Here, in this study, a life-cycle analysis is conducted using the Greenhouse Gases, Regulated Emissions, and Energy use in Technologies (GREET) model on the three electrocatalytic CO 2 -reduction pathways (or “e-ethylene” pathways): i) cascade conversion via carbon monoxide intermediate; ii) single-step conversion in membrane electrode assembly (MEA); and iii) single-step conversion in alkaline flow cell. The results showed that the electricity consumption is the lowest for the cascade pathway (164 MJ/kg), thus resulting in the lowest cradle-to-gate carbon intensity [18 kgCO 2 e/kg with United States (US) average grid)] among the three pathways followed by the single-step MEA (32 kgCO 2 e/kg) and then by the single-step alkaline (56 kgCO 2 e/kg). However, all three e-ethylene pathways were significantly more carbon-intensive than their fossil-based counterpart (1.1 kgCO 2 e/kg) due to their excessive energy consumption with the current state of technology. With renewable electricity, all three pathways yielded negative carbon intensity: from -3.1 kgCO 2 e/kg to -1.6 kgCO 2 e/kg depending on the source of CO 2 . The threshold carbon intensity of electricity (TCIE), defined as the upper bound of the carbon intensity of electricity to achieve lower carbon intensity for e-ethylene compared to fossil-based ethylene, is calculated for both current and future state of e-ethylene technologies. The cascade pathway had the highest TCIE out of the three e-ethylene pathways for both current (92 gCO 2 e/kWh) and future (124 gCO 2 e/kWh) state of technologies. However, the carbon intensity of average US grid (i.e., 467 and 303 gCO 2 e/kWh for current and future projections) were higher than the TCIEs of the corresponding timeline. Thus, reducing electricity requirement for e-ethylene pathways and bringing low-carbon generation mix in the United States (US) grid faster than the current projection are both essential to decarbonize ethylene and its downstream chemicals/polymers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Surface chemical trapping of optical cycling centers

Quantum information processors based on trapped atoms utilize laser-induced optical cycling transitions for state preparation and measurement. These transitions consist of an electronic excitation from the ground to an excited state and a decay back to the initial ground state, associated with a photon emission. While this technique has been used primarily with atoms, it has also recently been shown to work for some divalent metal hydroxides ( e.g. SrOH) and alkoxides ( e.g. SrOCH 3 ). Additionally, this extension to molecules is possible because these molecules feature nearly isolated, atomic-like ground and first-excited electronic states centered on the radical metal atom. We theoretically investigate the extension of this idea to a larger scale by growing the alkyl group, R, beyond the initial methyl group, CH 3 , while preserving the isolated and highly vertical character of the electronic excitation on the radical metal atom, M. Theory suggests that in the limit as the size of the ligand carbon chain increases, it can be considered a functionalized diamond (or cubic boron nitride) surface. Several requirements must be observed for the cycling centers to function when bound to the surface. First, the surface must have a significant band gap that fully encapsulates both the ground and excited states of the cycling center. Second, while the surface lattice imposes strict limits on the achievable spacing between the SrO– groups, at high coverage, SrO– centers can interact, and show geometric changes and/or electronic state mixing. We show that the coverage of the diamond surface with SrO– cycling centers needs to be significantly sub-monolayer for the functionality of the cycling center to be preserved. Having the lattice-imposed spatial control of SrO– placements will allow nanometer-scale proximity between qubits and will eliminate the need for atom traps for localized cycling emitters. Our results also imply that a functionalization could be done on a scanning microscope tip for local quantum sensing or on photonic structures for optically-mediated quantum information processing.

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

Soil organic carbon is not just for soil scientists: measurement recommendations for diverse practitioners

Soil organic carbon (SOC) regulates terrestrial ecosystem functioning, provides diverse energy sources for soil microorganisms, governs soil structure, and regulates the availability of organically bound nutrients. Investigators in increasingly diverse disciplines recognize how quantifying SOC attributes can provide insight about ecological states and processes. Today, multiple research networks collect and provide SOC data, and robust, new technologies are available for managing, sharing, and analyzing large data sets. Here, we advocate that the scientific community capitalize on these developments to augment SOC data sets via standardized protocols. We describe why such efforts are important and the breadth of disciplines for which it will be helpful, and outline a tiered approach for standardized sampling of SOC and ancillary variables that ranges from simple to more complex. We target scientists ranging from those with little to no background in soil science to those with more soil-related expertise, and offer examples of the ways in which the resulting data can be organized, shared, and discoverable.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Signaling snapshots of a serotonin receptor activated by the prototypical psychedelic LSD

Serotonin (5-hydroxytryptamine [5-HT]) 5-HT2-family receptors represent essential targets for lysergic acid diethylamide (LSD) and all other psychedelic drugs. Although the primary psychedelic drug effects are mediated by the 5-HT 2A serotonin receptor (HTR2A), the 5-HT 2B serotonin receptor (HTR2B) has been used as a model receptor to study the activation mechanisms of psychedelic drugs due to its high expression and similarity to HTR2A. Here, in this study, we determined the cryo-EM structures of LSD-bound HTR2B in the transducer-free, Gq-protein-coupled, and β-arrestin-1-coupled states. These structures provide distinct signaling snapshots of LSD’s action, ranging from the transducer-free, partially active state to the transducer-coupled, fully active states. Insights from this study will both provide comprehensive molecular insights into the signaling mechanisms of the prototypical psychedelic LSD and accelerate the discovery of novel psychedelic drugs.

60 APPLIED LIFE SCIENCES↗