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At least 613 records · Page 34

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DOE OSTI2014

Photonic Architectures for Equilibrium High-Temperature Bose-Einstein Condensation in Dichalcogenide Monolayers

Semiconductor-microcavity polaritons are composite quasiparticles of excitons and photons, emerging in the strong coupling regime. As quantum superpositions of matter and light, polaritons have much stronger interparticle interactions compared with photons, enabling rapid equilibration and Bose-Einstein condensation (BEC). Current realizations based on 1D photonic structures, such as Fabry-Pérot microcavities, have limited light-trapping ability resulting in picosecond polariton lifetime. We demonstrate, theoretically, above-room-temperature (up to 590 K) BEC of long-lived polaritons in MoSe 2 monolayers sandwiched by simple TiO 2 based 3D photonic band gap (PBG) materials. The 3D PBG induces very strong coupling of 40 meV (Rabi splitting of 62 meV) for as few as three dichalcogenide monolayers. Strong light-trapping in the 3D PBG enables the long-lived polariton superfluid to be robust against fabrication-induced disorder and exciton line-broadening.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Understanding the ionic liquid [NC 4111 ][NTf 2 ] from individual building blocks: an IR-spectroscopic study

This study explores the interactions underlying the IR spectra of the ionic liquid [NC 4111 ][NTf 2 ] and its deuterated isotopomer [d 9 -NC 4111 ][NTf 2 ] by first isolating the spectra of charged ionic building blocks using mass-selective CIVP spectroscopy and then following the evolution of these bands upon sequential assembly of the ionic constituents. The spectra of the (1,1) and (2,2) neutral ion pairs are recorded using superfluid helium droplets as well as a solid neon matrix, while those of the larger charged aggregates are again obtained with CIVP. In general, the cluster spectra are similar to that of the bulk, with the (2,2) system displaying the closest resemblance. Analysis of the polarization-dependent band intensities of the neutral ion pairs in liquid droplets as a function of external electric field yields dipole moments of the neutral aggregates. This information allows a coarse assessment of the packing structure of the neutral pairs to be antiparallel at 0.37 K, in contrast to the parallel arrangement found for the assembly of small, high-dipole neutral molecules with large rotational constants (e.g., HCN). The role of an extra anion or cation attached to both the (1,1) and the (2,2) ion pairs to form the charged clusters is discussed in the context of an additional remote, more unfavorable binding site intrinsic to the nature of the charged IL clusters and as such not anticipated in the bulk phase. Whereas for the anion itself only the lowest energy trans conformer was observed, the higher clusters showed an additional population of the cis conformer. Finally, the interactions are found to be consistent with a minimal role of hydrogen bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Decay of skeins of dislocations in cholesterics: rewiring Conway's tangles into necklaces of bangles

Knotted and linked skeins of vortices and disclinations generated, respectively, by symmetry-breaking normal → superfluid and isotropic → nematic phase transitions are known to untie, by rewiring of their crossings, into independent unknots that finally shrink and collapse until the defect-free ground state is reached. We demonstrate that the decay of skeins of dislocations, generated by the isotropic → cholesteric phase transition within a cylinder/cylinder gap, leads to stable necklace-like states made of numerous minimal loops, called bangles, tethered to kinks of much larger loops called cargo. We analyze the topological decay of skeins of dislocations in terms of the Conway–Kauffman theory of knots, showing that the necklace state results from rewiring of crossings triggered by collisions of tangles with their numerator closure. We point out that, in general, for symmetry reasons, kinks on edge dislocations are chiral. Their handedness, right or left, directly depends on the sign of kinks on which they are localized. In cholesterics with intrinsic chirality, the energy of kinks bearing bangles depends on their handedness. For this reason, within necklaces, all bangles are tethered to kinks of the same sign.

Lee, Jun-Yong [International Institute for Sustain↗

DOE OSTI2017

Nuclear Fission: from more phenomenology and adjusted parameters to more fundamental theory and increased predictive power

Two major recent developments in theory and computational resources created the favorable conditions for achieving a microscopic description of fission dynamics in classically allowed regions of the collective potential energy surface, almost eighty years after its discovery in 1939 by Hahn and Strassmann [1]. The first major development was in theory, the extension of the Time-Dependent Density Functional Theory (TDDFT) [2–5] to superfluid fermion systems [6]. The second development was in computing, the emergence of powerful enough supercomputers capable of solving the complex systems of equations describing the time evolution in three dimensions without any restrictions of hundreds of strongly interacting nucleons. Thus the conditions have been created to renounce phenomenological models and incomplete microscopic treatments with uncontrollable approximations and/or assumptions in the description of the complex dynamics of fission. Even though the available nuclear energy density functionals (NEDFs) are phenomenological still, their accuracy is improving steadily and the prospects of being able to perform calculations of the nuclear fission dynamics and to predict many properties of the fission fragments, otherwise not possible to extract from experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

The neutron electric dipole moment experiment at the Spallation Neutron Source

Novel experimental techniques are required to make the next big leap in neutron electric dipole moment experimental sensitivity, both in terms of statistics and systematic error control. The nEDM experiment at the Spallation Neutron Source (nEDM@SNS) will implement the scheme of Golub & Lamoreaux [Phys. Rep., 237, 1 (1994)]. The unique properties of combining polarized ultracold neutrons, polarized 3 He, and superfluid 4He will be exploited to provide a sensitivity to ~ 10-28 e · cm. Our cryogenic apparatus will deploy two small (3 L) measurement cells with a high density of ultracold neutrons produced and spin analyzed in situ. The electric field strength, precession time, magnetic shielding, and detected UCN number will all be enhanced compared to previous room temperature Ramsey measurements. Our 3 He co-magnetometer offers unique control of systematic effects, in particular the Bloch-Siegert induced false EDM. Furthermore, there will be two distinct measurement modes: free precession and dressed spin. This will provide an important self-check of our results. Following five years of “critical component demonstration,” our collaboration transitioned to a “large scale integration” phase in 2018. An overview of our measurement techniques, experimental design, and brief updates are described in these proceedings.

Leung, Kent↗

DOE OSTI2013

Infrared laser spectroscopy of the helium-solvated allyl and allyl peroxy radicals

Infrared spectra in the C–H stretch region are reported for the allyl (CH 2 CHCH 2 ) and allyl peroxy (CH 2 =CH–CH 2 OO·) radicals solvated in superfluid helium nanodroplets. Nine bands in the spectrum of the allyl radical have resolved rotational substructure. We have assigned three of these to the ν 1 (a 1 ), ν 3 (a 1 ), and ν 13 (b 2 ) C–H stretch bands and four others to the ν 14 /(ν 15 +2ν 11 ) (b 2 ) and ν 2 /(ν 4 +2ν 11 ) (a 1 ) Fermi dyads, and an unassigned resonant polyad is observed in the vicinity of the ν 1 band. Experimental coupling constants associated with Fermi dyads are consistent with quartic force constants obtained from density functional theory computations. The peroxy radical was formed within the He droplet via the reaction between allyl and O 2 following the sequential pick-up of the reactants. Five stable conformers are predicted for the allyl peroxy radical, and a computed two-dimensional potential surface for rotation about the CC–OO and CC–CO bonds reveals multiple isomerization barriers greater than ≈300 cm –1 . Furthermore, the C–H stretch infrared spectrum is consistent with the presence of a single conformer following the allyl + O 2 reaction within helium droplets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

The cryomodule test stand at the European Spallation Source

The European Spallation Source (ESS) is an intergovernmental project building a multidisciplinary research laboratory based upon the world's most powerful neutron source to be built in Lund, Sweden. The ESS will use a linear accelerator which will deliver protons with 5 MW of power to the target at 2.5 GeV with a nominal current of 50 mA. The superconducting part of the linac consists of over 150 niobium cavities cooled with superfluid helium at 2 K. A dedicated cryoplant will supply the cryomodules with single phase helium through an external cryogenic transfer line. The elliptical cavity cryomodules will undergo their site acceptance tests at the ESS cryomodule test stand in Lund. This test stand will use a 4.5 K cryoplant and warm sub-atmospheric compression to supply the 2 K helium. We will show the requirements for the test stand, a layout proposal and discuss the factors determining the required cryogenic capacity, test sequence and schedule.

43 PARTICLE ACCELERATORS↗

DOE OSTI2014

Quantum Gibbs ensemble Monte Carlo

We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of {sup 4}He in two dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Infrared Stark and Zeeman spectroscopy of OH–CO: The entrance channel complex along the OH + CO → trans -HOCO reaction pathway

Here, sequential capture of OH and CO by superfluid helium droplets leads exclusively to the formation of the linear, entrance-channel complex, OH-CO. This species is characterized by infrared laser Stark and Zeeman spectroscopy via measurements of the fundamental OH stretching vibration. Experimental dipole moments are in disagreement with ab initio calculations at the equilibrium geometry, indicating large-amplitude motion on the ground state potential energy surface. Vibrational averaging along the hydroxyl bending coordinate recovers 80% of the observed deviation from the equilibrium dipole moment. Inhomogeneous line broadening in the zero-field spectrum is modeled with an effective Hamiltonian approach that aims to account for the anisotropic molecule-helium interaction potential that arises as the OH-CO complex is displaced from the center of the droplet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Effect of wetting on nucleation and growth of D 2 in confinement

We have performed a computational study to determine how the wetting of liquid deuterium to the walls of the material influences nucleation. We present the development of a pair-wise interatomic potential that includes zero-point motion of molecular deuterium. Deuterium is used in this study because of its importance to inertial confinement fusion and the potential to generate a superfluid state if the solidification can be suppressed. Our simulations show that wetting dominates undercooling compared to the pore geometries. We observe a transition from heterogeneous nucleation at the confining wall to homogeneous nucleation at the bulk of the liquid (and intermediate cases) as the interaction with the confining wall changes from perfect wetting to non-wetting. When nucleation is heterogeneous, the temperature needed for solidification changes by 4 K with decreasing deuterium-wall interaction, but it remains independent (and equal to the one from bulk samples) when homogeneous nucleation dominates. We find that growth and quality of the resulting microstructure also depends on the magnitude of liquid deuterium–wall interaction strength.

36 MATERIALS SCIENCE↗

DOE OSTI2019

A next-generation inverse-geometry spallation-driven ultracold neutron source

The physics model of a next-generation spallation-driven high-current ultracold neutron (UCN) source capable of delivering an extracted UCN rate of around an order of magnitude higher than the strongest proposed sources, and around three orders of magnitude higher than existing sources, is presented. This UCN-current-optimized source would dramatically improve cutting-edge UCN measurements that are currently statistically limited. A novel “Inverse Geometry” design is used with 40 l of superfluid 4He (He-II), which acts as the converter of cold neutrons to UCNs, cooled with state-of-the-art subcooled cryogenic technology to ∼1.6K. Our source design is optimized for a 100 W maximum heat load constraint on the He-II and its vessel. In this paper, we first explore modifying the Lujan Center Mark-3 target for UCN production as a benchmark. In our Inverse Geometry, the spallation target is wrapped symmetrically around the cryogenic UCN converter to permit raster scanning the proton beam over a relatively large volume of tungsten spallation target to reduce the demand on the cooling requirements, which makes it reasonable to assume that water edge-cooling only is sufficient. Our design is refined in several steps to reach a UCN production rate PUCN=2.1×109s−1 under our other restriction of 1MW maximum available proton beam power. We then study the effects of the He-II scattering kernel used as well as reductions in PUCN due to pressurization to reach PUCN=1.8×109s−1. Finally, we provide a design for the UCN extraction system that takes into account the required He-II heat transport properties and implementation of a He-II containment foil that allows UCN transmission. We estimate a total useful UCN current from our source of Ruse≈5×108s−1 from an 18cm diameter guide ∼5m from the source. Under a conservative “no return” (or “single passage”) approximation, this rate can produce an extracted density of >1×104UCNcm−3 in <1000l external experimental volumes with a 58Ni (335neV) cutoff potential.

Leung, K. K. H. (ORCID:0000000203285326)↗

DOE OSTI2020

Synthetic antiferromagnet-based spin Josephson oscillator

Two easy-plane ferromagnetic layers, antiferromagnetically coupled through a thin nonmagnetic metal layer, form the magnetic analog of a Josephson junction. Additionally, a current driven spin chemical potential drives a 2π precession of the in-plane magnetization of each ferromagnet. The participation of the full magnetic moment in the 2π precession maximizes the giant magnetoresistance and the ac output power. The frequency can be continuously tuned by a dc bias. An applied ac bias results in a time-averaged magnetoresistance with Shapiro-like steps. The multistate mode-locking behavior exhibited by the Shapiro steps may be exploited for applications such as microwave detectors and neuromorphic computing. They may also serve as an experimental signature of spin superfluidity.

42 ENGINEERING↗

DOE OSTI2020

Ultrashort XUV pulse absorption spectroscopy of partially oxidized cobalt nanoparticles

High-order harmonic generation (HHG) based transient extreme ultraviolet (XUV) absorption spectroscopy is an emerging technique to trace photoinduced charge carrier dynamics in condensed phase materials with femtosecond and even attosecond temporal resolution and elemental specificity. However, its application to nanoparticulate samples that are relevant, for example, for novel photocatalytic light harvesting concepts, has been limited. This is in part due to the challenge to produce residual-free samples on ultrathin, XUV-transparent substrates as well as a widespread understanding that sparsely distributed nanoparticles do not provide sufficient contrast for XUV absorption measurements. Here, we present static XUV absorption spectra of partially oxidized Co nanowire-structures with diameters of approximately 4.5 nm and lengths between 10 and 40 nm, recorded with an ultrashort pulse HHG light source. Nanoparticles are synthesized by the agglomeration of Co atoms inside superfluid helium droplets, followed by surface deposition and oxidation in ambient air. The method is uniquely suited for residual-free synthesis of transition metal nanowires and their deposition on ultrathin substrates. Analysis by high-resolution transmission electron microscopy reveals the formation of CoO nanowires with regions of unoxidized Co in their interior. The nanoparticle samples are investigated in an HHG-driven ultrafast XUV absorption setup. Despite the low surface coverage of only 23%, the recorded spectrum exhibits a distinct absorption feature at the Co M 2,3 (2p) edge near 60 eV with a peak height of about 40 mOD. Finally, the results support the feasibility of table-top ultrafast transient XUV absorption studies of photoinduced dynamics in transition metal oxide nanoparticles with sub-monolayer surface coverage.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble

Finite temperature auxiliary field-based quantum Monte Carlo methods, including determinant quantum Monte Carlo and Auxiliary Field Quantum Monte Carlo (AFQMC), have historically assumed pivotal roles in the investigation of the finite temperature phase diagrams of a wide variety of multidimensional lattice models and materials. Despite their utility, however, these techniques are typically formulated in the grand canonical ensemble, which makes them difficult to apply to condensates such as superfluids and difficult to benchmark against alternative methods that are formulated in the canonical ensemble. Working in the grand canonical ensemble is furthermore accompanied by the increased overhead associated with having to determine the chemical potentials that produce desired fillings. Given this backdrop, in this work, we present a new recursive approach for performing AFQMC simulations in the canonical ensemble that does not require knowledge of chemical potentials. To derive this approach, we exploit the convenient fact that AFQMC solves the many-body problem by decoupling many-body propagators into integrals over one-body problems to which non-interacting theories can be applied. We benchmark the accuracy of our technique on illustrative Bose and Fermi–Hubbard models and demonstrate that it can converge more quickly to the ground state than grand canonical AFQMC simulations. We believe that our novel use of HS-transformed operators to implement algorithms originally derived for non-interacting systems will motivate the development of a variety of other methods and anticipate that our technique will enable direct performance comparisons against other many-body approaches formulated in the canonical ensemble.

Shen, Tong (ORCID:0000000206292468)↗

DOE OSTI2016

Ultrathin two-dimensional superconductivity with strong spin–orbit coupling

Significance By studying epitaxially grown Pb thin films, this paper explores a new regime in the physics of uniform 2D superconductivity, in which the spin–orbit coupling-induced Rashba splitting is larger than the superconducting gap. The first quantitative determination of superfluid rigidity in nearly atomically thin 2D superconductors was performed using measurement that covers microscopic to macroscopic length scales to establish uniformity. The extraordinarily strong parallel critical fields were discovered, which is greatly in excess of the normal Clogston–Chandrasekhar limit. Moreover, this remarkable behavior is theoretically explained as a consequence of strong spin–orbit coupling in 2D superconductors that are uniform but in the dirty limit.

Nam, Hyoungdo↗

DOE OSTI2023

The spontaneous symmetry breaking in Ta 2 NiSe 5 is structural in nature

The excitonic insulator is an electronically driven phase of matter that emerges upon the spontaneous formation and Bose condensation of excitons. Detecting this exotic order in candidate materials is a subject of paramount importance, as the size of the excitonic gap in the band structure establishes the potential of this collective state for superfluid energy transport. However, the identification of this phase in real solids is hindered by the coexistence of a structural order parameter with the same symmetry as the excitonic order. Only a few materials are currently believed to host a dominant excitonic phase, Ta 2 NiSe 5 being the most promising. Here, we test this scenario by using an ultrashort laser pulse to quench the broken-symmetry phase of this transition metal chalcogenide. Tracking the dynamics of the material’s electronic and crystal structure after light excitation reveals spectroscopic fingerprints that are compatible only with a primary order parameter of phononic nature. We rationalize our findings through state-of-the-art calculations, confirming that the structural order accounts for most of the gap opening. Our results suggest that the spontaneous symmetry breaking in Ta 2 NiSe 5 is mostly of structural character, hampering the possibility to realize quasi-dissipationless energy transport.

Science & Technology - Other Topics↗

DOE OSTI2015

The Road to Precision: Extraction of the Specific Shear Viscosity of the Quark-Gluon Plasma

For a few fleeting moments after the Big Bang the universe was filled with an astonishingly hot and dense soup known as the Quark-Gluon Plasma (QGP), a precursor to the matter we observe today that consisted of elementary particles. While this Quark-Gluon Plasma also contained leptons and weak gauge bosons, its transport properties were dominated by the strong interaction between quarks and gluons. Utilizing the most powerful particle accelerators, physicists now conduct head-on collisions between heavy ions, such as gold or lead nuclei, to recreate conditions that existed at the birth of the universe. The most striking discovery in relativistic heavy-ion collisions is that the hot and dense matter created during the collisions behaves like an almost perfect (inviscid) liquid, meaning that it can be characterized by a very small shear viscosity (η) to entropy density (s) ratio (or, “specific shear viscosity”). It turns out that the η/s for the QGP is smaller than that of any known substance, including that of superfluid liquid helium. In Figure 1, we highlight schematically the specific shear viscosity η/s normalized by $\frac{1}{4\pi}$ $\frac{ħ}{k_{B}}$, the minimum bound in a large class of theories with infinitely strong coupling [5], for four different types of fluids. The QGP at high temperature reflects the smallest value of η/s of any fluids occurring in nature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

Persistent gravitational radiation from glitching pulsars

Quantum mechanical simulations of neutron star rotational glitches, triggered by vortex avalanches in the superfluid stellar interior, reveal that vortices pin nonaxisymmetrically to the crust during the intervals between glitches. Hence a glitching neutron star emits a persistent current quadrupole gravitational wave signal at the star’s rotation frequency, whose interglitch amplitude is constant and determined by the avalanche history since birth. The signal can be detected in principle by coherent searches planned for the Laser Interferometer Gravitational Wave Observatory (LIGO), whether or not a glitch occurs during the observation, if the power-law distribution of glitch sizes extends up to ΔΩ{sub max}/Ω≳10{sup −6}η{sup −1}(Δϕ){sup −1}(Ω/10{sup 3} rad s{sup −1}){sup −3}(D/1 kpc) in the targeted object, where ΔΩ{sub max} and Δϕ are the largest angular velocity jump and avalanche opening angle, respectively, to have occurred in a glitch since birth, Ω is the angular velocity at present, η is the crustal fraction of the moment of inertia, and D is the distance from the Earth. A major caveat concerning detectability is whether the nonaxisymmetries observed in existing simulations with ≲10{sup 3} vortices extrapolate to realistic neutron stars with ≳10{sup 15} vortices. The arguments for and against extrapolation are discussed critically in the context of avalanche dynamics in self-organized critical systems, but the issue cannot be resolved without larger simulations and tighter observational limits on ηΔϕΔΩ{sub max} from future LIGO (non)detections and radio timing campaigns.

79 ASTRONOMY AND ASTROPHYSICS↗