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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quadrupole collectivity and shell closure in neutron-rich nuclei near N = 126

Here, we introduce a comprehensive study on the low-lying states of neutron-rich Er, Yb, Hf, and W isotopes across the N = 126 shell with a multireference covariant density functional theory. Beyond-mean-field effects from shape mixing and symmetry restoration on the observables that are relevant for understanding quadrupole collectivity and underlying shell structure are investigated. The general features of low-lying states in closed-shell nuclei are retained in these four isotopes around N = 126 , even though the shell gap is overall quenched by about 30% with the beyond-mean-field effects. These results are consistent with the previous generator-coordinate calculations based on Gogny forces, but much smaller than that predicted by the collective Hamiltonian calculation. It implies that the beyond-mean-field effects on the r -process abundances before the third peak at A ≈ 195 might be more moderate than that reported by Arcones and Bertsch [ Phys. Rev. Lett. 108 , 151101 (2012) ].

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Superheavy nuclei in a microscopic collective Hamiltonian approach: The impact of beyond-mean-field correlations on ground state and fission properties

The effect of beyond-mean-field effects on the ground state and fission properties of superheavy nuclei has been investigated in a five-dimensional collective Hamiltonian based on covariant density functional theory. The inclusion of dynamical correlations reduces the impact of the Z = 120 shell closure and induces substantial collectivity for the majority of the Z = 120 nuclei which otherwise are spherical at the mean-field level (as seen in the calculations with the PC-PK1 functional). As a result, they lead to a substantial convergence of the predictions of the functionals DD-PC1 and PC-PK1 which are different at the mean-field level. On the contrary, the predictions of these two functionals remain distinctly different for the N = 184 nuclei even when dynamical correlations are included. These nuclei are mainly spherical (oblate) in the calculations with PC-PK1 (DD-PC1). Our calculations for the first time reveal significant impact of dynamical correlations on the heights of inner fission barriers of superheavy nuclei with soft potential energy surfaces, the minimum of which at the mean-field level is located at spherical shape. These correlations affect the fission barriers of the nuclei, which are deformed in the ground state at the mean-field level, to a lesser degree.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Trapped-ion quantum simulation of collective neutrino oscillations

It is well known that the neutrino flavor in extreme astrophysical environments changes under the effect of three contributions: the vacuum oscillation, the interaction with the surrounding matter, and the collective oscillations due to interactions between different neutrinos. The latter adds a nonlinear contribution to the equations of motion, making the description of their dynamics complex. In this work we study various strategies to simulate the coherent collective oscillations of a system of N neutrinos in the two-flavor approximation using quantum computation. This was achieved by using a pair-neutrino decomposition designed to account for the fact that the flavor Hamiltonian, in the presence of the neutrino-neutrino term, presents an all-to-all interaction that makes the implementation of the evolution dependent on the qubit topology. We analyze the Trotter error caused by the decomposition demonstrating that the complexity of the implementation of time evolution scales polynomially with the number of neutrinos and that the noise from near-term quantum device simulation can be reduced by optimizing the quantum circuit decomposition and exploiting a full-qubit connectivity. We find that the gate complexity using second order Trotter-Suzuki formulas scales better with system size than with other decomposition methods such as quantum signal processing. In conclusion, we finally present the application and the results of our algorithm on a real quantum device based on trapped-ion qubits.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Soft collective fluctuations governing hydrophobic association

The interaction between two associating hydrophobic particles has traditionally been explained in terms of the release of entropically frustrated hydration shell water molecules. However, this picture cannot account for the kinetics of hydrophobic association and is therefore not capable of providing a microscopic description of the hydrophobic interaction (HI). Here, Monte Carlo simulations of a pair of molecular-scale apolar solutes in aqueous solution reveal the critical role of collective fluctuations in the hydrogen bond (HB) network for the microscopic picture of the HI. The main contribution to the HI is the relaxation of solute-water translational correlations. The existence of a heat capacity maximum at the desolvation barrier is shown to arise from softening of non-HB water fluctuations and the relaxation of many-body correlations in the labile HB network. Furthermore, the microscopic event governing the kinetics of hydrophobic association has turned out to be a relatively large critical collective fluctuation in hydration water displacing a substantial fraction of HB clusters from the inner to the outer region of the first hydration shell.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Evidence for collective multiparticle correlations in p – Pb collisions

The second-order azimuthal anisotropy Fourier harmonics, v₂, are obtained in p−Pb and PbPb collisions over a wide pseudorapidity (η) range based on correlations among six or more charged particles. The p-Pb data, corresponding to an integrated luminosity of 35 nb⁻¹, were collected during the 2013 LHC p-Pb run at a nucleon-nucleon center-of-mass energy of 5.02 TeV by the CMS experiment. A sample of semiperipheral PbPb collision data at √s = 2.76 TeV, corresponding to an integrated luminosity of 2.5 μb⁻¹ and covering a similar range of particle multiplicities as the p−Pb data, is also analyzed for comparison. The six- and eight-particle cumulant and the Lee-Yang zeros methods are used to extract the v₂ coefficients, extending previous studies of two- and four-particle correlations. For both the p−Pb and PbPb systems, the v₂ values obtained with correlations among more than four particles are consistent with previously published four-particle results. These data support the interpretation of a collective origin for the previously observed long-range (large Δη) correlations in both systems. The ratios of v2 values corresponding to correlations including different numbers of particles are compared to theoretical predictions that assume a hydrodynamic behavior of a p−Pb system dominated by fluctuations in the positions of participant nucleons. These results provide new insights into the multiparticle dynamics of collision systems with a very small overlapping region.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Surface collective modes in the topological insulators Bi 2 Se 3 and Bi 0.5 Sb 1.5 Te 3-x Se x

In this study, we used low-energy, momentum-resolved inelastic electron scattering to study surface collective modes of the three-dimensional topological insulators Bi 2 Se 3 and Bi 0.5 Sb 1.5 Te 3-x Se x . Our goal was to identify the “spin plasmon” predicted by Raghu and co-workers [Phys. Rev. Lett. 104, 116401 (2010)]. Instead, we found that the primary collective mode is a surface plasmon arising from the bulk, free carriers in these materials. This excitation dominates the spectral weight in the bosonic function of the surface χ''(q,ω) at THz energy scales, and is the most likely origin of a quasiparticle dispersion kink observed in previous photoemission experiments. Our study suggests that the spin plasmon may mix with this other surface mode, calling for a more nuanced understanding of optical experiments in which the spin plasmon is reported to play a role.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Electromagnetic Moments of Radioactive 136 Te and the Emergence of Collectivity 2p ⊕ 2n outside of Double-Magic 132 Sn

Radioactive 136 Te has two valence protons and two valence neutrons outside of the 132 Sn double shell closure, providing a simple laboratory for exploring the emergence of collectivity and nucleon- nucleon interactions. Coulomb excitation of 136 Te on a titanium target was utilized to determine an extensive set of electromagnetic moments for the three lowest-lying states, including B(E2;0$+\atop{1}$→ 2$+\atop{1}$ ), Q(2$+\atop{1}$ ), and g(2$+\atop{1}$ ). The results indicate that the first-excited state, 2$+\atop{1}$ , composed of the simple 2p ⊕ 2n system, is prolate deformed, and its wave function is dominated by neutron degrees of freedom, but not to the extent previously suggested. It is demonstrated that extreme sensitivity of g(2$+\atop{1}$) to the proton and neutron contributions to the wave function provides unique insight into the nature of emerging collectivity, and g(2$+\atop{1}$ ) was used to differentiate among several state-of-the-art theoretical calculations. Finally, our results are best described by the most recent shell model calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Measurements of Multiparticle Correlations in d + Au Collisions at 200, 62.4, 39, and 19.6 GeV and p + Au Collisions at 200 GeV and Implications for Collective Behavior

Recently, multiparticle-correlation measurements of relativistic p/d/ 3 He + Au, p + Pb, and even p + p collisions show surprising collective signatures. In this paper, we present beam-energy-scan measurements of two-, four-, and six-particle angular correlations in d + Au collisions at √ s NN = 200, 62.4, 39, and 19.6 GeV. We also present measurements of two- and four-particle angular correlations in p + Au collisions at √ s NN = 200 GeV. We find the four-particle cumulant to be real valued for d + Au collisions at all four energies. We also find that the four-particle cumulant in p + Au has the opposite sign as that in d + Au. Further, we find that the six-particle cumulant agrees with the four-particle cumulant in d + Au collisions at 200 GeV, indicating that nonflow effects are subdominant. Finally, these observations provide strong evidence that the correlations originate from the initial geometric configuration, which is then translated into the momentum distribution for all particles, commonly referred to as collectivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Early Signal of Emerging Nuclear Collectivity in Neutron-Rich 129Sb

Radioactive 129Sb, which can be treated as a proton plus semimagic 128Sn core within the particle-core coupling scheme, was studied by Coulomb excitation. Reduced electric quadrupole transition probabilities, B(E2), for the 2+Ⓧπg7/2 multiplet members and candidate πd5/2 state were measured. The results indicate that the total electric quadrupole strength of 129Sb is a factor of 1.39(11) larger than the 128Sn core, which is in stark contrast to the expectations of the empirically successful particle-core coupling scheme. Shell-model calculations performed with two different sets of nucleon-nucleon interactions suggest that this enhanced collectivity is due to constructive quadrupole coherence in the wave functions stemming from the proton-neutron residual interactions, where adding one nucleon to a core near a double-shell closure can have a pronounced effect. The enhanced electric quadrupole strength is an early signal of the emerging nuclear collectivity that becomes dominant away from the shell closure.

Gray, Tim↗
DOE OSTI2021

Signature of Collective Plasma Effects in Beam-Driven QED Cascades

QED cascades play an important role in extreme astrophysical environments like magnetars. Furthermore, they can also be produced by passing a relativistic electron beam through an intense laser field. Signatures of collective pair plasma effects in these QED cascades are shown to appear, in exquisite detail, through plasma-induced frequency upshifts in the laser spectrum. Remarkably, these signatures can be detected even in small plasma volumes moving at relativistic speeds. Strong-field quantum and collective pair plasma effects can thus be explored with existing technology, provided that ultradense electron beams are colocated with multipetawatt lasers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Proton Collective Quantum Tunneling Induces Anomalous Thermal Conductivity of Ice under Pressure

Proton tunneling is believed to be nonlocal in ice, but its range has been shown to be limited to only a few molecules. Here, we measured the thermal conductivity of ice under pressure up to 50 GPa and found it increases with pressure until 20 GPa but decreases at higher pressures. We attribute this nonmonotonic thermal conductivity to the collective tunneling of protons at high pressures, supported by large-scale quantum molecular dynamics simulations. The collective tunneling loops span several picoseconds in time and are as large as nanometers in space, which match the phonon periods and wavelengths, leading to strong phonon scattering at high pressures. Finally, our results show direct evidence of global quantum motion existing in high-pressure ice and provide a new perspective to understanding the coupling between phonon propagation and atomic tunneling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Phase-Space Geometry and Optimal State Preparation in Quantum Metrology with Collective Spins

We revisit well-known protocols in quantum metrology using collective spins and propose a unifying picture for optimal state preparation based on a semiclassical description in phase space. We show how this framework allows for quantitative predictions of the timescales required to prepare various metrologically useful states, and that these predictions remain accurate even for moderate system sizes, surprisingly far from the classical limit. Furthermore, this framework allows us to build a geometric picture that relates optimal (exponentially fast) entangled probe preparation to the existence of separatrices connecting saddle points in phase space. We illustrate our results with the paradigmatic examples of the two-axis countertwisting and twisting-and-turning Hamiltonians, where we provide analytical expressions for all the relevant optimal timescales. Finally, we propose a generalization of these models to include p-body collective interaction (or p-order twisting), beyond the usual case of p = 2. Using our geometric framework, we prove a no-go theorem for the local optimality of these models for p > 2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

In vacuo X-ray data collection from graphene-wrapped protein crystals

A method is reported for collecting room-temperature data from protein crystals under vacuum by protecting them with a thin graphene layer. The measurement of diffraction data from macromolecular crystal samples held in vacuo holds the promise of a very low X-ray background and zero absorption of incident and scattered beams, leading to better data and the potential for accessing very long X-ray wavelengths (>3 Å) for native sulfur phasing. Maintaining the hydration of protein crystals under vacuum is achieved by the use of liquid jets, as with serial data collection at free-electron lasers, or is side-stepped by cryocooling the samples, as implemented at new synchrotron beamlines. Graphene has been shown to protect crystals from dehydration by creating an extremely thin layer that is impermeable to any exchanges with the environment. Furthermore, owing to its hydrophobicity, most of the aqueous solution surrounding the crystal is excluded during sample preparation, thus eliminating most of the background caused by liquid. Here, it is shown that high-quality data can be recorded at room temperature from graphene-wrapped protein crystals in a rough vacuum. Furthermore, it was observed that graphene protects crystals exposed to different relative humidities and a chemically harsh environment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Neutron and high-resolution room-temperature X-ray data collection from crystallized lytic polysaccharide monooxygenase

Bacteria and fungi express lytic polysaccharide monooxgyenase (LPMO) enzymes that act in conjunction with canonical hydrolytic sugar-processing enzymes to rapidly convert polysaccharides such as chitin, cellulose and starch to single monosaccharide products. In order to gain a better understanding of the structure and oxidative mechanism of these enzymes, large crystals (1–3 mm 3 ) of a chitin-processing LPMO from the Gram-positive soil bacterium Jonesia denitrificans were grown and screened for their ability to diffract neutrons. In addition to the collection of neutron diffraction data, which were processed to 2.1 Å resolution, a high-resolution room-temperature X-ray diffraction data set was collected and processed to 1.1 Å resolution in space group P 2 1 2 1 2 1 . To our knowledge, this work marks the first successful neutron crystallographic experiment on an LPMO. As a result, joint X-ray/neutron refinement of the resulting data will reveal new details of the structure and mechanism of this recently discovered class of enzymes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Crystallization of a potassium ion channel and X-ray and neutron data collection

The mechanism by which potassium ions are transported through ion channels is currently being investigated by several groups using many different techniques. Clarification of the location of water molecules during transport is central to understanding how these integral membrane proteins function. Neutrons have a unique sensitivity to both hydrogen and potassium, rendering neutron crystallography capable of distinguishing waters from K + ions. In this paper, the collection of a complete neutron data set from a potassium ion channel to a resolution of 3.55 Å using the Macromolecular Neutron Diffractometer (MaNDi) is reported. A room-temperature X-ray data set was also collected from the same crystal to a resolution of 2.50 Å. Upon further refinement, these results will help to further clarify the ion/water population within the selectivity filter of potassium ion channels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Preliminary results of neutron and X-ray diffraction data collection on a lytic polysaccharide monooxygenase under reduced and acidic conditions

Lytic polysaccharide monooxygenases (LPMOs) are copper-center enzymes that are involved in the oxidative cleavage of the glycosidic bond in crystalline cellulose and other polysaccharides. The LPMO reaction is initiated by the addition of a reductant and oxygen to ultimately form an unknown activated copper–oxygen species that is responsible for polysaccharide-substrate H-atom abstraction. Given the sensitivity of metalloproteins to radiation damage, neutron protein crystallo­graphy provides a nondestructive technique for structural characterization while also informing on the positions of H atoms. Neutron cryo-crystallography permits the trapping of catalytic intermediates, thereby providing insight into the protonation states and chemical nature of otherwise short-lived species in the reaction mechanism. Here, to characterize the reaction-mechanism intermediates of LPMO9D from Neurospora crassa, a cryo-neutron diffraction data set was collected from an ascorbate-reduced crystal. A second neutron diffraction data set was collected at room temperature from an LPMO9D crystal exposed to low-pH conditions to probe the protonation states of ionizable groups involved in catalysis under acidic conditions.

Neurospora crassa↗
DOE OSTI2025

Expanding on the BRIAR Dataset: A Comprehensive Whole Body Biometric Recognition Resource at Extreme Distances and Real-World Scenarios (Collections 1-4)

The state-of-the-art in biometric recognition algorithms and operational systems has advanced quickly in recent years providing high accuracy and robustness in more challenging collection environments and consumer applications. However, the technology still suffers greatly when applied to non-conventional settings such as those seen when performing identification at extreme distances or from elevated cameras on buildings or mounted to UAVs. This paper summarizes an extension to the largest dataset currently focused on addressing these operational challenges, and describes its composition as well as methodologies of collection, curation, and annotation.

Cornett, David [ORNL] (ORCID:0000000222910860)↗
DOE OSTI2017

Enhanced current collection in 1.7 eV GaInAsP solar cells grown on GaAs by metalorganic vapor phase epitaxy

Quaternary GaInAsP solar cells with a bandgap of ~1.7 eV offer an attractive Al-free alternative to AlGaAs solar cells for integration in next generation of III-V multijunction solar cells with five or more junctions. Development of a high quality 1.7 eV solar cell is also highly sought for III-V/Si tandem solar cells. In this work, we systematically investigate the impact of varying base thicknesses and doping concentrations on the carrier collection and performance of 1.7 eV GaInAsP solar cells. The photoresponse of these cells is found to be very sensitive to p-type zinc doping concentration in the base layer. Prototype 1.7 eV GaInAsP n-i-p solar cell designs are demonstrated that leverage enhanced depletion width as an effective method to achieve peak quantum efficiency exceeding 90%. We also show the importance of optimal i-layer thickness as a critical parameter to reduce the drop in fill-factor (FF) due to field-aided collection. Furthermore, we demonstrate substantial improvement in the cell performance when the GaInAsP base layer is grown at 650 degrees C instead of 600 degrees C. The best GaInAsP solar cell (Eg ~ 1.65 eV) in this study achieved JSC of 21.1 mA/cm 2 , VOC of 1.18 V, FF of 83.8%, and an efficiency of 20.8 +/- 1% under AM1.5D spectrum (21.5 +/- 1% under AM1.5G spectrum). Finally, these results highlight the potential of Al-free GaInAsP solar cells for integration in the next generation of III-V multijunction solar cells.

14 SOLAR ENERGY↗