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At least 1,639 records · Page 91

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DOE OSTI2018

Adaptive rotating-wave approximation for driven open quantum systems

We present a numerical method to approximate the long-time asymptotic solution $\rho_\infty(t)$ to the Lindblad master equation for an open quantum system under the influence of an external drive. The proposed scheme uses perturbation theory to rank individual drive terms according to their dynamical relevance, and adaptively determines an effective Hamiltonian. In the constructed rotating frame, $\rho_\infty$ is approximated by a time-independent, nonequilibrium steady-state. This steady-state can be computed with much better numerical efficiency than asymptotic long-time evolution of the system in the lab frame. We illustrate the use of this method by simulating recent transmission measurements of the heavy-fluxonium device, for which ordinary time-dependent simulations are severely challenging due to the presence of metastable states with lifetimes of the order of milliseconds.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Evolution of turbulence and waves in the solar wind in radius and latitude

The current state of knowledge of the variations of the Alfvenic fluctuations with heliocentric disturbance is reviewed, and results are considered in the context of the waves-turbulence dialogue. Direct information with regard to the outer corona has been limited, and most available data has been limited to near the ecliptic plane. Determination of the possible variation of intensity and the nature of the interplanetary fluctuations with heliocentric latitude, to characterize the role of fluctuations in accelerating the solar wind, may be provided by the Ulysses mission. It is noted that application of the results of incompressible turbulence theory to the Alfvenic fluctuation problem will be problematic due to the neglect of compressibility.

Barnes, A.↗

DOE OSTI2018

Models of the Dynamics of Spatially Separated Broadband Electromagnetic Fields Interacting with Resonant Atoms

The Markov model of spontaneous emission of an atom localized in a spatial region with a broadband electromagnetic field with zero photon density is considered in the conditions of coupling of the electromagnetic field with the broadband field of a neighboring space. The evolution operator of the system and the kinetic equation for the atom are obtained. It is shown that the field coupling constant affects the rate of spontaneous emission of the atom, but is not manifested in the atomic frequency shift. The analytic expression for the radiative decay constant for the atom is found to be analogous in a certain sense to the expression for the decay constant for a singly excited localized ensemble of identical atoms in the conditions when the effect of stabilization of its excited state by the Stark interaction with the vacuum broadband electromagnetic field is manifested. The model is formulated based on quantum stochastic differential equations of the non- Wiener type and the generalized algebra of the Ito differential of quantum random processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Enhanced Activity in Layered Metal-Oxide-Based Oxygen Evolution Catalysts by Layer-by-Layer Modulation of Metal-Ion Identity

Few-layered potassium nickel and cobalt oxides show drastic differences in catalytic activity based on metal ion preorganization. Uniform compositions [(CoO 2 /K) 6 or (NiO 2 /K) 6 ] show limited activity, while homogeneously mixed-metal cobalt/nickel oxides [(Co n Ni (1–n) O 2 /K) 6 ] display moderate improvement. However, a layer-by-layer arrangement of alternating cobalt and nickel oxide sheets [e.g., (CoO 2 /K/NiO 2 /K)] provides superior catalytic performance, reducing the oxygen evolution overpotential by ∼200–400 mV. Density functional theory simulations provide an illustration of the electronic properties (density of states and localization of orbitals) that promote catalysis in the layer-segregated materials over those of homogeneous composition. This study reveals that atomic preorganization of metal ions within layered catalysts plays a more crucial role than the overall metal composition in enhancing catalytic efficiency for oxygen evolution.

catalysts↗

DOE OSTI2024

Long-range magnetic order induced surface state in GdBi and DyBi

The recent discovery of unconventional surface-state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered rare-earth monopnictides attracted the interest in these materials. Here, we use angle-resolved photoemission spectroscopy measurements in conjunction with density functional theory calculations to investigate the evolution of the electronic structure of GdBi and DyBi. We find that new surface states, including a Dirac cone, emerge in the antiferromagnetic (AFM) state. However, they are located along a direction in momentum space that is different than what was found in NdSb, NdBi, and CeBi. The observed changes in the electronic structure are consistent with the presence of AFM-II-A type order.

36 MATERIALS SCIENCE↗

NASA NTRS2006

A New Model for Water Vapor/Ice Abundance in a Protoplanetary Nebula

Water is a unique substance in the protoplanetary nebula since both solid and gaseous phases coexist in large quantities. Quantitative estimates of their relative abundances are important parameters regarding the physical state of the nebula and planet formation processes. This new model is based on computing the chemical evolution of water molecules until its partial pressure is sufficient to pierce the vapor pressure curve for water. The point at which this occurs relative to its steady state values determines final gas/ice ratios. The wide range of temperatures and densities in typical protoplanetary disks result in a range of gadice ratios. It is found that although ice dominates the mid and far nebula, water vapor is predominant in the centerplane region of the near nebula and above the disk photosphere. An interesting near nebula effect is the appearance of a cloud of water ice at the temperature inversion elevation surrounded by vapor above and below. This work is partially supported by the NASA Astrobiology Institute.

Davis, Sanford S.↗

DOE OSTI2016

Properties of the fast forward shock driven by the 2012 July 23 extreme coronal mass ejection

Late on 2012 July 23, the STEREO-A spacecraft encountered a fast forward shock driven by a coronal mass ejection (CME) launched from the Sun earlier that same day. The estimated travel time of the disturbance (∼20 hr), together with the massive magnetic field strengths measured within the ejecta (>100 nT), made it one of the most extreme events observed during the space era. In this study, we examine the properties of the shock wave. Because of an instrument malfunction, plasma measurements during the interval surrounding the CME were limited, and our approach has been modified to capitalize on the available measurements and suitable proxies, where possible. We were able to infer the following properties. First, the shock normal was pointing predominantly in the radial direction (n=0.97e{sub r}−0.09e{sub t}−0.23e{sub n}). Second, the angle between n and the upstream magnetic field, θ{sub Bn}, was estimated to be ≈34°, making the shock “quasi-parallel,” and supporting the idea of an earlier “preconditioning” ICME. Third, the shock speed was estimated to be ≈3300 km s{sup −1}. Fourth, the sonic Mach number, M{sub s}, for this shock was ∼28. We support these results with an idealized numerical simulation of the ICME. Finally, we estimated the change in ram pressure upstream of the shock to be ∼5 times larger than the pressure from the energetic particles, suggesting that this cosmic-ray modified shock had not reached steady-state, but instead, had been caught in an early, transient phase in its evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

SN 2021adxl: A luminous nearby interacting supernova in an extremely low-metallicity environment

SN 2021adxl is a slowly evolving, luminous, Type IIn supernova with asymmetric emission line profiles, similar to the well-studied SN 2010jl. We present extensive optical, near-ultraviolet, and near-infrared photometry and spectroscopy covering ∼1.5 years post discovery. SN 2021adxl occurred in an unusual environment, atop a vigorously star-forming region that is offset from its host galaxy core. The appearance of Ly α and O II , as well as the compact core, would classify the host of SN 2021adxl as a “Blueberry” galaxy, analogous to higher redshift, low-metallicity, star-forming dwarf “Green Pea” galaxies. Using several abundance indicators, we find a metallicity of the explosion environment of only ∼0.1 Z ⊙ , the lowest reported metallicity for a Type IIn SN environment. SN 2021adxl reaches a peak magnitude of M r ≈ −20.2 mag and since discovery, SN 2021adxl has faded by only ∼4 magnitudes in the r band with a cumulative radiated energy of ∼1.5 × 10 50 erg over 18 months. SN 2021adxl shows strong signs of interaction with a complex circumstellar medium, seen by the detection of X-rays, revealed by the detection of coronal emission lines, and through multi-component hydrogen and helium profiles. In order to further understand this interaction, we model the H α profile using a Monte Carlo electron scattering code. The blueshifted high-velocity component is consistent with emission from a radially thin spherical shell resulting in the broad emission components due to electron scattering. Using the velocity evolution of this emitting shell, we find that the SN ejecta collide with circumstellar material of at least ∼5 M ⊙ assuming a steady-state mass-loss rate of ∼4 − 6 × 10 −3 M ⊙ yr −1 for the first ∼200 days of evolution. SN 2021adxl was last observed to be slowly declining at ∼0.01 mag d −1 , and if this trend continues, SN 2021adxl will remain observable after its current solar conjunction. Continuing the observations of SN 2021adxl may reveal signatures of dust formation or an infrared excess, similar to that seen for SN 2010jl.

Brennan, S. J. (ORCID:0000000313256235)↗

NASA NTRS1980

Structure and evolution of Uranus and Neptune

Three-layer interior models of Uranus and Neptune with central rocky cores, mantles of water, methane, and ammonia (the 'ices'), and outer envelopes primarily composed of hydrogen and helium are presented. The models incorporate a new H2O equation of state based on experimental data which is considerably 'softer' than previous H2O equations of state. Corrections for interior temperatures approximately 5000 K are included in the models, and the thermal evolution of both planets is investigated using recent heat flow measurements. It is found that the evolutionary considerations are consistent with gravitational field data in supporting models with approximately solar abundances of 'ice' and 'rock'. Evolutionary considerations indicate that initial temperatures and luminosities for Uranus and Neptune were not substantially higher than the present value. Both planets apparently have relatively small approximately 1-2 earth masses) hydrogen-helium envelopes, with Neptune's envelope smaller than Uranus'. A monotonic trend is evident among the Jovian planets: all have central rock-ice cores of approximately 15 earth masses, but with hydrogen-helium envelopes which decrease in mass from Jupiter to Saturn to Uranus to Neptune.

Hubbard, W. B.↗

NASA NTRS1988

Quasi-Newton methods for parameter estimation in functional differential equations

A state-space approach to parameter estimation in linear functional differential equations is developed using the theory of linear evolution equations. A locally convergent quasi-Newton type algorithm is applied to distributed systems with particular emphasis on parameters that induce unbounded perturbations of the state. The algorithm is computationally implemented on several functional differential equations, including coefficient and delay estimation in linear delay-differential equations.

Brewer, Dennis W.↗

DOE OSTI2023

Synergic Effects of Surface Chemistry and Applied Potentials on the Kinetics of the Electrocatalytic Oxygen Evolution Reaction in IrO 2

Improving the efficacy of the oxygen evolution reaction (OER) through water oxidation is critical for advancing photoelectrochemical water splitting. Among the catalysts, IrO 2 exhibits a high OER catalytic activity and stability under acidic conditions. The OER mechanism in this system has been a topic of intense research; however, many mechanistic understandings are lacking. In this work, we carried out first-principles calculations with an implicit solvation model at a constant potential to study the OER behavior on the IrO 2 (110) surface. We find that the surface hydrogen coverage has a significant effect on OER kinetics and transition states. We then develop a microkinetics model that accounts for the continuous evolution of both OER activation energy and hydrogen coverage as a function of an applied potential. We show that this inclusion leads to significant improvement in the simulated Tafel plot compared to available experiments. In conclusion, our results point to a complex interplay between surface chemistry and the applied potential on OER kinetics.

08 HYDROGEN↗

DOE OSTI2018

Neutron knockout from 68,70 Ni ground and isomeric states

Neutron-rich isotopes are an important source of new information on nuclear physics. Specifically, the spin-isospin components in the nucleon-nucleon (NN) interaction, e.g., the proton-neutron tensor force, are expected to modify shell structure in exotic nuclei. These potential changes in the intrinsic shell structure are of fundamental interest. The study of the excitation energy of states corresponding to specific configurations in even-even isotopes, together with the single-particle character of the first excited states of odd-A, neutron-rich Ni isotopes, probes the evolution of the neutron orbitals around the Fermi surface as a function of the neutron number a step forward in the understanding of the region and the nature of the NN interaction at large N/Z ratios. In an experiment carried out at the National Superconducting Cyclotron Laboratory, new spectroscopic information was obtained for 68 Ni and the distribution of single-particle strengths in 67,69 Ni was characterized by means of single-neutron knockout from 68,70 Ni secondary beams. The spectroscopic strengths, deduced from the measured partial cross sections to the individual states tagged by their de-exciting gamma rays, is used to identify and quantify configurations that involve neutron excitations across the N = 40 harmonic oscillator shell closure. Finally, the de-excitation rays were measured with the GRETINA tracking array.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Probing transverse-momentum distributions with groomed jets

We present the transverse momentum spectrum of groomed jets in di-jet events for $e^+e^–$ collisions and semi-inclusive deep inelastic scattering (SIDIS). The jets are groomed using a soft-drop grooming algorithm which helps in mitigating effects of non-global logarithms and underlying event. At the same time, by reducing the final state hadronization effects, it provides a clean access to the non-perturbative part of the evolution of transverse momentum dependent (TMD) distributions. In SIDIS experiments we look at the transverse momentum of the groomed jet measured w.r.t. the incoming hadron in the Breit frame. Because the final state hadronization effects are significantly reduced, the SIDIS case allows to probe the TMD parton distribution functions. We discuss the sources of non-perturbative effects in the low transverse momentum region including novel (but small) effects that arise due to grooming. We derive a factorization theorem within SCET and resum any large logarithm in the measured transverse momentum up to NNLL accuracy using the ζ-prescription as implemented in the artemide package and provide a comparison with simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1984

A quantitative study relating observed shear in photospheric magnetic fields to repeated flaring

In this paper a quantitative evaluation of the shear in the magnetic field along the neutral line in an active region during an epoch of flare activity is presented. Shear is defined as the angular difference in the photosphere between the potential magnetic field, which fits the boundary conditions imposed by the observed line-of-sight field, and the observed magnetic field. For the active region studied, this angular difference (shear) is non-uniform along the neutral line with maxima occurring at the locations of repeated flare onsets. It is suggested that continued magnetic evolution causes the field's maximum shear to exceed a critical value of shear, resulting in a flare around the site of maximum shear. Evidently, the field at the site of the flare must relax to a state of shear somewhat below the critical value (but still far from potential), with subsequent evolution returning the field to the critical threshold. This inference is drawn because several flares occured at sites of maximum photospheric shear which were persistent in location.

Hagyard, M. J.↗

DOE OSTI2021

Using Multigrain Crystallography to Explore the Microstructural Evolution of the α-Olivine to γ-Ringwoodite Transformation and ε-Mg2SiO4 at High Pressure and Temperature

The introduction of multigrain crystallography (MGC) applied in a laser-heated diamond anvil cell (LH-DAC) using synchrotron X-rays has provided a new path to investigate the microstructural evolution of materials at extreme conditions, allowing for simultaneous investigations of phase identification, strain state determination, and orientation relations across phase transitions in a single experiment. Here, we applied this method to a sample of San Carlos olivine beginning at ambient conditions and through the α-olivine → γ-ringwoodite phase transition. At ambient temperatures, by measuring the evolution of individual Bragg reflections, olivine shows profuse angular streaking consistent with the onset of yielding at a measured stress of ~1.5 GPa, considerably lower than previously reported, which may have implications for mantle evolution. Furthermore, γ-ringwoodite phase was found to nucleate as micron to sub-micron grains imbedded with small amounts of a secondary phase at 15 GPa and 1000 °C. Using MGC, we were able to extract and refine individual crystallites of the secondary unknown phase where it was found to have a structure consistent with the ε-phase previously described in chondritic meteorites.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Solving MaxCut with quantum imaginary time evolution

We introduce a method to solve the MaxCut problem efficiently based on quantum imaginary time evolution (QITE). We employ a linear Ansatz for unitary updates and an initial state involving no entanglement, as well as an imaginary-time-dependent Hamiltonian interpolating between a given graph and a subgraph with two edges excised. We apply the method to thousands of randomly selected graphs with up to fifty vertices. We show that our algorithm exhibits a 93% and above performance converging to the maximum solution of the MaxCut problem for all considered graphs. Our results compare favorably with the performance of classical algorithms, such as the greedy and Goemans–Williamson algorithms. We also discuss the overlap of the final state of the QITE algorithm with the ground state as a performance metric, which is a quantum feature not shared by other classical algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Complete field-induced spectral response of the spin-1/2 triangular-lattice antiferromagnet CsYbSe 2

Fifty years after Anderson’s resonating valence-bond proposal, the spin-1/2 triangular-lattice Heisenberg antiferromagnet (TLHAF) remains the ultimate platform to explore highly entangled quantum spin states in proximity to magnetic order. Yb-based delafossites are ideal candidate TLHAF materials, which allow experimental access to the full range of applied in-plane magnetic fields. We perform a systematic neutron scattering study of CsYbSe 2 , first proving the Heisenberg character of the interactions and quantifying the second-neighbor coupling. We then measure the complex evolution of the excitation spectrum, finding extensive continuum features near the 120°-ordered state, throughout the 1/3-magnetization plateau and beyond this up to saturation. We perform cylinder matrix-product-state (MPS) calculations to obtain an unbiased numerical benchmark for the TLHAF and spectacular agreement with the experimental spectra. The measured and calculated longitudinal spectral functions reflect the role of multi-magnon bound and scattering states. These results provide valuable insight into unconventional field-induced spin excitations in frustrated quantum materials.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Fast and Accurate Greenberger-Horne-Zeilinger Encoding Using All-to-All Interactions

The 𝑁-qubit Greenberger-Horne-Zeilinger (GHZ) state is an important resource for quantum technologies. Here, we consider the task of GHZ encoding using all-to-all interactions, which prepares the GHZ state in a special case, and is furthermore useful for quantum error correction, interaction-rate enhancement, and transmitting information using power-law interactions. The naive protocol based on parallelizing CNOT gates takes O(1)-time of Hamiltonian evolution. In this work, we propose a fast protocol that achieves GHZ encoding with high accuracy. The evolution time O⁡(log 2 ⁡𝑁/𝑁) almost saturates the theoretical limit Ω⁡(log⁡𝑁/𝑁). Moreover, the final state is close to the ideal encoded one with high fidelity >1–10 −3 , up to large system sizes 𝑁 ≲ 2000. The protocol only requires a few stages of time-independent Hamiltonian evolution; the key idea is to use the data qubit as control, and to use fast spin-squeezing dynamics generated by e.g., two-axis twisting.

quantum computation↗