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At least 73 records · Page 4

Searching for states analogous to the C 12 Hoyle state in heavier nuclei using the thick target inverse kinematics technique

Identification of α-cluster states analogous to the C 12 Hoyle state in heavier α-conjugate nuclei can provide tests of the existence of α condensates in nuclei. Such states are predicted for O 16 , Ne 20 , Mg 24 , Si 28 , etc., at excitation energies slightly above the multi- α-particle decay threshold but have not yet been experimentally identified. The thick target inverse kinematics (TTIK) technique can be used to study the breakup of excited self-conjugate nuclei into many α particles. The reaction Ne 20 + α was studied using a Ne 20 beam at 12 MeV/nucleon from the K150 cyclotron at Texas A&M University. The TTIK method was used to study both single α-particle emission and multiple α-particle decays. Events with α multiplicity up to four were analyzed. The analysis of the three α-particle emission data allowed the identification of the Hoyle state and other C 12 excited states decaying into three α particles. The results are shown and compared with other data available in the literature. Although the statistics for events with α-multiplicity four is low, the data show a structure at about 15.2 MeV that could indicate the existence in O 16 of a state analogous to the C 12 Hoyle state. Moreover, the reconstructed excitation energy of Mg 24 for these events peaks at around 34 MeV, very close to the predicted excitation energy for an excited state analogous to the C 12 Hoyle state in Mg 24 . The structure is further confirmed by the reanalysis of α-multiplicity-four events from a previous experiment performed at 9.7 MeV/nucleon with a similar, but lower granularity, experimental setup.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

State Energy Offices’ Engagement in Electric Distribution Planning to Meet State Policy Goals

NASEO and Berkeley Lab released a new publication on State Energy Offices’ Engagement in Electric Distribution Planning to Meet State Policy Goals. State and Territory Energy Offices develop plans, programs, policies, and projects that have a substantial impact on electric distribution systems. They also can participate in distribution system planning (DSP) processes to help ensure that utilities – consumer- and investor-owned – meet the state’s future energy needs. This paper recognizes the wide spectrum of roles that State Energy Offices can play in DSP processes, including planning for distributed energy resources and grid modernization. It highlights various examples of non-regulatory activities by State Energy Offices including planning, conducting studies, convening stakeholder processes, and implementing programs that inform and contribute to distribution system planning. It also provides examples of State Energy Offices’ engagement in proceedings before their respective public utility commissions. As State Energy Offices face myriad challenges associated with meeting state policy goals, preparing for anticipated rates of distributed energy resource deployment, addressing concerns regarding grid reliability and resilience, and recommending and making long-term investment decisions, the examples provided through this guide can serve as a resource in navigating those challenges.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Quantum State Engineering Via Coherent-State Superpositions

The quantum interference between the two parts of the optical Schrodinger-cat state makes possible to construct a wide class of quantum states via discrete superpositions of coherent states. Even a small number of coherent states can approximate the given quantum states at a high accuracy when the distance between the coherent states is optimized, e. g. nearly perfect Fock state can be constructed by discrete superpositions of n + 1 coherent states lying in the vicinity of the vacuum state.

Janszky, Jozsef↗

Equilibrium Properties of the Mixed State in Superconducting Niobium in a Transverse Magnetic Field: Experiment and Theoretical Model

Equilibrium magnetic properties of the mixed state in type II superconductors were studied on high-purity film and single-crystal niobium samples with different Ginzburg-Landau parameters in perpendicular and parallel magnetic fields using dc magnetometry and scanning Hall-probe microscopy. The magnetization curve for samples with unity demagnetizing factor (slabs in perpendicular field) was obtained for the first time. It was found that none of the existing theories is consistent with these new data. To address this problem, a theoretical model is developed and comprehensively validated. The new model describes the mixed state in an averaged limit, i.e., without detailing the samples’ magnetic structure and therefore ignoring the surface current and interactions between the structural units (vortices). At low values of the Ginzburg-Landau parameter, it converts to the model of Peierls and London for the intermediate state in type I superconductors. The model quantitatively describes the magnetization curve for the perpendicular field and provides new insights into the properties of the mixed state, including properties of individual vortices. In particular, it suggests that description of the vortex matter in superconductors of the transverse geometry as a “gas-like” system of non-interacting vortices is more appropriate than the frequently used solid-like scenarios.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On the closedness and geometry of tensor network state sets

Tensor network states (TNS) are a powerful approach for the study of strongly correlated quantum matter. The curse of dimensionality is addressed by parametrizing the many-body state in terms of a network of partially contracted tensors. These tensors form a substantially reduced set of effective degrees of freedom. In practical algorithms, functionals like energy expectation values or overlaps are optimized over certain sets of TNS. Concerning algorithmic stability, it is important whether the considered sets are closed because, otherwise, the algorithms may approach a boundary point that is outside the TNS set and tensor elements diverge. Here we discuss the closedness and geometries of TNS sets, and we propose regularizations for optimization problems on non-closed TNS sets. We show that sets of matrix product states (MPS) with open boundary conditions, tree tensor network states, and the multiscale entanglement renormalization ansatz are always closed, whereas sets of translation-invariant MPS with periodic boundary conditions (PBC), heterogeneous MPS with PBC, and projected entangled pair states are generally not closed. The latter is done using explicit examples like the W state, states that we call two-domain states, and fine-grained versions thereof.

97 MATHEMATICS AND COMPUTING↗

Challenging excited states from adaptive quantum eigensolvers: subspace expansions vs. state-averaged strategies

The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules are relatively unexplored. In this work, we consider the adaptive, problem-tailored (ADAPT)-variational quantum eigensolver (VQE) algorithm, a single-reference approach for obtaining ground states, and its state-averaged generalization for computing multiple states at once. We demonstrate for both rectangular and linear H4, as well as for BeH2, that this approach, which we call multistate-objective, Ritz-eigenspectral (MORE)-ADAPT-VQE, can make better use of small excitation manifolds than an analogous method based on a single-reference ADAPT-VQE calculation, q-sc-EOM. In particular, MORE-ADAPT-VQE is able to accurately describe both avoided crossings and crossings between states of different symmetries. In addition to more accurate excited state energies, MORE-ADAPT-VQE can recover accurate transition dipole moments in situations where traditional ADAPT-VQE and q-sc-EOM struggle. These improvements suggest a promising direction toward the use of quantum computers for difficult excited state problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optical Tomograms of Multiple-Photon-Added Gaussian States via the Intermediate State Representation Theory

Optical tomogram of a quantum state can serve as an alternative to its density matrix since it contains all the information on this state. In this paper we use the explicit expression of the intermediate state |q, f, g〉(that is, an eigenvector of the coordinate and momentum operator fQ + gP) and the Radon transform between the Wigner operator Δ(p, q) and the pure-state density operator |q, f, g〉〈q, f, g| to calculate the specific tomograms for multiple-photon-added coherent states (MPACSs), thermal states (MPATSs) and displaced thermal states (MPADTSs). Their analytical tomograms are actually the finite-summation representations related to single-variable Hermite polynomials. Besides, the numerical results indicate that the larger photon-addition number can lead to the multi-peak tomographic distributions for these three states, and the measurable tomograms of MPACSs and MPADTSs exhibit π-periodic features but MPATSs can’t.

74 ATOMIC AND MOLECULAR PHYSICS↗

Scalar field in Reissner–Nordström spacetime: Bound state and scattering state (with appendix on eliminating oscillation in partial sum approximation of periodic function)

Highlights: • Bound-state and scattering-state solutions of massive scalar fields in R-N spacetime. • Bound-state wave functions and eigenvalues of massive scalar fields in R-N spacetime. • Solving explicit expressions of scattering phase shifts by integral equation methods. • Introducing tortoise coordinates for R-N spacetime. • Eliminating oscillations in the partial sum approximation of periodic functions. In this paper, we solve the massive scalar field in the Reissner–Nordström spacetime. The scalar field in the Reissner–Nordström spacetime has both bound states and scattering states. For bound states, we solve the bound-state wave function and the eigenvalue spectrum. For scattering states, we solve the scattering wave function and give an explicit expression for scattering phase shift by the integral equation method. Especially, we introduce the tortoise coordinate for the Reissner–Nordström spacetime. Moreover, in the calculation of scattering cross sections, we encounter a difficulty in partial sum approximation. If the sum of partial waves cannot be performed exactly, one has to turn to the partial sum approximation which approximates a function by the first several terms of the series. However, in the partial sum approximation there exists an incorrect oscillation which cannot be eliminated by keeping more terms. In the appendix we suggest an approach for eliminating such oscillations in the partial sum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Observation of Two Excited Bc+ States and Measurement of the Bc+ (2S) Mass in pp Collisions at s =13 TeV

Signals consistent with the Bc+(2S) and Bc∗+(2S) states are observed in proton-proton collisions at s=13 TeV, in an event sample corresponding to an integrated luminosity of 143 fb-1, collected by the CMS experiment during the 2015-2018 LHC running periods. These excited bc states are observed in the Bc+π+π- invariant mass spectrum, with the ground state Bc+ reconstructed through its decay to J/ψπ+. The two states are reconstructed as two well-resolved peaks, separated in mass by 29.1±1.5(stat)±0.7(syst) MeV. The observation of two peaks, rather than one, is established with a significance exceeding five standard deviations. The mass of the Bc+(2S) meson is measured to be 6871.0±1.2(stat)±0.8(syst)±0.8(Bc+) MeV, where the last term corresponds to the uncertainty in the world-average Bc+ mass. © 2019 CERN for the CMS Collaboration. Published by the American Physical Society under the terms of the »https://creativecommons.org/licenses/by/4.0/» Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

60 APPLIED LIFE SCIENCES↗

Progress and Prospects of Inorganic Solid-State Electrolyte-Based All-Solid-State Pouch Cells

Here, all-solid-state batteries have piqued global research interest because of their unprecedented safety and high energy density. Significant advances have been made in achieving high room-temperature ionic conductivity and good air stability of solid-state electrolytes (SSEs), mitigating the challenges at the electrode–electrolyte interface, and developing feasible manufacturing processes. Along with the advances in fundamental study, all-solid-state pouch cells using inorganic SSEs have been widely demonstrated, revealing their immense potential for industrialization. This review provides an overview of inorganic all-solid-state pouch cells, focusing on ultrathin SSE membranes, sheet-type thick solid-state electrodes, and bipolar stacking. Moreover, several critical parameters directly influencing the energy density of all-solid-state Li-ion and lithium–sulfur pouch cells are outlined. Finally, perspectives on all-solid-state pouch cells are provided and specific metrics to meet certain energy density targets are specified. This review looks to facilitate the development of inorganic all-solid-state pouch cells with high energy density and excellent safety.

25 ENERGY STORAGE↗

A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States

An important characteristic of RNA folding is the adoption of alternative configurations of similar stability, often referred to as misfolded configurations. These configurations are considered to compete with correctly folded configurations, although their rigorous thermodynamic and structural characterization remains elusive. Tetraloop motifs found in large ribozymes are ideal systems for an atomistically detailed computational quantification of folding free energy landscapes and the structural characterization of their constituent free energy basins, including nonnative states. In this work, we studied a group of closely related 10-mer tetraloops using a combined parallel tempering and metadynamics technique that allows a reliable sampling of the free energy landscapes, requiring only knowledge that the stem folds into a canonical A-RNA configuration. Here we isolated and analyzed unfolded, folded, and misfolded populations that correspond to different free energy basins. We identified a distinct misfolded state that has a stability very close to that of the correctly folded state. This misfolded state contains a predominant population that shares the same structural features across all tetraloops studied here and lacks the noncanonical A-G base pair in its loop portion. Further analysis performed with biased trajectories showed that although this competitive misfolded state is not an essential intermediate, it is visited in most of the transitions from unfolded to correctly folded states. Moreover, the tetraloops can transition from this misfolded state to the correctly folded state without requiring extensive unfolding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight.

X-ray absorption near edge structure (XANES) spectroscopy is widely used for operando catalyst characterization. We show that, for highly fluxional supported nanoclusters, the customary extraction of the oxidation state of the metal from the XANES data by fitting to the bulk standards is highly questionable. The XANES signatures as well as the apparent oxidation state for such clusters arise from a complex combination of many factors, and not only from the chemical composition in reaction conditions (e.g., oxygen content in oxidizing atmosphere). The thermally accessible isomerization and population of several structurally distinct cluster forms, cluster-support interaction, and intrinsic size effects all impact the metal oxidation state and XANES signal. We demonstrate this on copper oxide clusters with different compositions, Cu4Ox(x = 2-5) and Cu5Oy (y = 3, 5), deposited on amorphous alumina and ultrananocrystalline diamond, for which we computed the XANES spectra and compare the results to the experiment. We show in addition that fitting the experimental spectrum to calculated spectra of supported clusters can, in contrast, provide good agreement and insight into the spectrum-composition-structure relation. Experimental XANES interpreted using the proposed fitting scheme shows the partial reduction of Cu oxide clusters at rising temperatures, and pinpoints the specific stoichiometries that dominate in the ensemble of cluster states as the temperature changes.

Zandkarimi, Borna↗

The Role of Excited State Proton Relays on the Photochemical Dynamics of Water Nanodroplets

In this work, we applied non-adiabatic excited state molecular dynamics in tandem with ab initio electronic structure theory to illustrate a complete mechanistic landscape underpinning the UV absorption initiated photochemical dynamics in water nanodroplets. The goal is to understand the nonequilibrium excited state molecular dynamics initiated by the relaxation of solvated photoelectron, and consequential photochemical processes. The lowest-lying excited state shows the proton dissociation for a single water molecule forming intermediate hydronium complexes through a proton relay. At approximately 100 femtoseconds, the proton relay process gives rise to the relaxation of the excited state accompanied with a rapid increase in the non-adiabatic coupling strength with the ground state, and the nanodroplet non-radiatively decays. The non-adiabatic transition to the ground state produces excited vibrational states that facilitate the recombination of the dissociated proton and hydroxyl group, eventually leading to the desorption of water molecules from the nanodroplet. Additionally, lifetimes of transient photochemical events are also resolved for the relaxation of solvated electron, excited state proton relay, and non-radiative transition.

Stetina, Torin F.↗

Secure quantum remote state preparation of squeezed microwave states

Quantum communication protocols based on nonclassical correlations can be more efficient than known classical methods and offer intrinsic security over direct state transfer. In particular, remote state preparation aims at the creation of a desired and known quantum state at a remote location using classical communication and quantum entanglement. We present an experimental realization of deterministic continuous-variable remote state preparation in the microwave regime over a distance of 35 cm. By employing propagating two-mode squeezed microwave states and feedforward, we achieve the remote preparation of squeezed states with up to 1.6 dB of squeezing below the vacuum level. Finally, security of remote state preparation is investigated by using the concept of the one-time pad and measuring the von Neumann entropies. We find nearly identical values for the entropy of the remotely prepared state and the respective conditional entropy given the classically communicated information and, thus, demonstrate close-to-perfect security.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nuclear spin conservation enables state-to-state control of ultracold molecular reactions

Quantum-state control of reactive systems has enabled microscopic probes of underlying interaction potentials and the alteration of reaction rates using quantum statistics. However, extending such control to the quantum states of reaction outcomes remains challenging. Here in this work, we realize this goal by utilizing the conservation of nuclear spins throughout the reaction. Using resonance-enhanced multiphoton ionization spectroscopy to investigate the products formed in bimolecular reactions between ultracold KRb molecules we find that the system retains a near-perfect memory of the reactants’ nuclear spins, manifested as a strong parity preference for the rotational states of the products. We leverage this effect to alter the occupation of these product states by changing the coherent superposition of initial nuclear spin states with an external magnetic field. In this way, we are able to control both the inputs and outputs of a reaction with quantum-state resolution. The techniques demonstrated here open up the possibilities to study quantum entanglement between reaction products, and ultracold reaction dynamics at the state-to-state level.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Hybrid approach for estimating dynamic states of synchronous generators

Accurate and robust estimation of dynamic states is essential for monitoring and controlling a power grid. To achieve higher accuracy and robustness, this paper proposes a hybrid estimation approach to estimate the dynamic states of synchronous generators using multiple models, classified into a set of local models and a wide-area model. The proposed estimation approach, first, estimates dynamic states using the extended Kalman filter (EKF) based on a local model and a wide-area model. Then, at each time step, probability indexes, which quantify the likelihood of both local and wide-area models, are determined using hypothesis testing based on measurements innovations. Finally, using the weighted fix approach, the states estimated from the local and wide-area models are combined based on their probability indexes. Simulation studies using the two-area four-machine system shows that the proposed approach can improve estimation accuracy and increase robustness against model errors.

Akhlaghi, Shahrokh↗

Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

We present new calculations of collision cross sections for state-to-state transitions between the rotational states in an H 2 O + H 2 O system, which are used to generate a new database of collisional rate coefficients for cometary and planetary applications. Calculations were carried out using a mixed quantum-classical theory approach that is implemented in the code MQCT. The large basis set of rotational states used in these calculations permits us to predict thermally averaged cross sections for 441 transitions in para- and ortho-H 2 O in a broad range of temperatures. It is found that all state-to-state transitions in the H 2 O + H 2 O system split into two well-defined groups, one with higher cross-section values and lower energy transfer, which corresponds to the dipole-dipole driven processes. The other group has smaller cross sections and higher energy transfer, driven by higher-order interaction terms. We present a detailed analysis of the theoretical error bars, and we symmetrized the state-to-state transition matrixes to ensure that excitation and quenching processes for each transition satisfy the principle of microscopic reversibility. We also compare our results with other data available from the literature for H 2 O + H 2 O collisions.

79 ASTRONOMY AND ASTROPHYSICS↗