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DOE OSTI2015

Plasmonic giant quantum dots: Hybrid nanostructures for truly simultaneous optical imaging, photothermal effect and thermometry

Hybrid semiconductor–metal nanoscale constructs are of both fundamental and practical interest. Semiconductor nanocrystals are active emitters of photons when stimulated optically, while the interaction of light with nanosized metal objects results in scattering and ohmic damping due to absorption. In a combined structure, the properties of both components can be realized together. At the same time, metal–semiconductor coupling may intervene to modify absorption and/or emission processes taking place in the semiconductor, resulting in a range of effects from photoluminescence quenching to enhancement. We show here that photostable ‘giant’ quantum dots when placed at the center of an ultrathin gold shell retain their key optical property of bright and blinking-free photoluminescence, while the metal shell imparts efficient photothermal transduction. The latter is despite the highly compact total particle size (40–60 nm “inorganic” diameter and <100 nm hydrodynamic diameter) and the very thin nature of the optically transparent Au shell. Furthermore, the sensitivity of the quantum dot emission to local temperature provides a novel internal thermometer for recording temperature during infrared irradiation-induced photothermal heating.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Density functional theory for carbon dioxide crystal

We present a density functional approach to describe the solid−liquid phase transition, interfacial and crystal structure, and properties of polyatomic CO{sub 2}. Unlike previous phase field crystal model or density functional theory, which are derived from the second order direct correlation function, the present density functional approach is based on the fundamental measure theory for hard-sphere repulsion in solid. More importantly, the contributions of enthalpic interactions due to the dispersive attractions and of entropic interactions arising from the molecular architecture are integrated in the density functional model. Using the theoretical model, the predicted liquid and solid densities of CO{sub 2} at equilibrium triple point are in good agreement with the experimental values. Based on the structure of crystal-liquid interfaces in different planes, the corresponding interfacial tensions are predicted. Their respective accuracies need to be tested.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Neutrino measurements from the Sun and Earth: Results from Borexino

Important neutrino results came recently from Borexino, a massive, calorimetric liquid scintillator detector installed at the underground Gran Sasso Laboratory. With its unprecedented radiopurity levels achieved in the core of the detection medium, it is the only experiment in operation able to study in real time solar neutrino interactions in the challenging sub-MeV energy region. The recently achieved breakthrough observation of the fundamental pp flux, the precise measurement of the {sup 7}Be solar neutrino flux, and the results concerning the pep, {sup 8}B and CNO fluxes, together with their physics implications, are described in this work. Moreover, the detector has also provided a clean detection of terrestrial neutrinos, from which they emerge as a new probe of the interior of the Earth.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Murray Gell-Mann

Murray Gell-Mann, the preeminent architect of theoretical elementary-particle physics, died on 24 May 2019 in Santa Fe, New Mexico. He received the 1969 Nobel Prize “for his contributions and discoveries concerning the classification of elementary particles and their interactions.” His contributions to physics include many foundational ideas, such as the renormalization group, which is fundamental to quantum field theory and statistical mechanics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Structural basis of adhesive binding by desmocollins and desmogleins

Desmosomes are intercellular adhesive junctions that impart strength to vertebrate tissues. Their dense, ordered intercellular attachments are formed by desmogleins (Dsgs) and desmocollins (Dscs), but the nature of trans -cellular interactions between these specialized cadherins is unclear. Here, using solution biophysics and coated-bead aggregation experiments, we demonstrate family-wise heterophilic specificity: All Dsgs form adhesive dimers with all Dscs, with affinities characteristic of each Dsg:Dsc pair. Crystal structures of ectodomains from Dsg2 and Dsg3 and from Dsc1 and Dsc2 show binding through a strand-swap mechanism similar to that of homophilic classical cadherins. However, conserved charged amino acids inhibit Dsg:Dsg and Dsc:Dsc interactions by same-charge repulsion and promote heterophilic Dsg:Dsc interactions through opposite-charge attraction. Furthermore, these findings show that Dsg:Dsc heterodimers represent the fundamental adhesive unit of desmosomes and provide a structural framework for understanding desmosome assembly.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Biophysical principles of choanoflagellate self-organization

Inspired by the patterns of multicellularity in choanoflagellates, the closest living relatives of animals, we quantify the biophysical processes underlying the morphogenesis of rosette colonies in the choanoflagellate Salpingoeca rosetta . We find that rosettes reproducibly transition from an early stage of 2-dimensional (2D) growth to a later stage of 3D growth, despite the underlying variability of the cell lineages. Our perturbative experiments demonstrate the fundamental importance of a basally secreted extracellular matrix (ECM) for rosette morphogenesis and show that the interaction of the ECM with cells in the colony physically constrains the packing of proliferating cells and, thus, controls colony shape. Simulations of a biophysically inspired model that accounts for the size and shape of the individual cells, the fraction of ECM, and its stiffness relative to that of the cells suffices to explain our observations and yields a morphospace consistent with observations across a range of multicellular choanoflagellate colonies. Overall, our biophysical perspective on rosette development complements previous genetic perspectives and, thus, helps illuminate the interplay between cell biology and physics in regulating morphogenesis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Physics Opportunity with an Electron-Ion Collider

Understanding the emergence of nucleons and nuclei and their interactions from the properties and dynamics of quarks and gluons in Quantum Chromodynamics (QCD) is a fundamental and compelling goal of nuclear science. A high-energy, high-luminosity polarized electron-ion collider (EIC) will be needed to explore and advance many aspects of QCD studies in the gluon dominated regions in nucleon and nuclei. The federal Nuclear Science Advisory Committee unanimously approved a high-energy electro-ion collider to explore a new frontier in physics research. In fact, the committee calls the collider the country's next "highest priority" in new facility construction, and is one of four main recommendations contained in its 2015 Long Range Plan for Nuclear Science. Two proposals for the EIC are being considered in the U.S.: one each at Jefferson Laboratory (JLab) and at Brookhaven National Laboratory (BNL). An overview of the physics opportunities an EIC presents to the nuclear science community in future decades is presented.

Rossi, Patrizia↗

DOE OSTI2025

Atomic Coherence of 2 Minutes and Instability of 1.5 × 10 −18 at 1 s in a Wannier-Stark Lattice Clock

We explore the limits of atomic coherence and measurement precision in a 87 Sr optical lattice clock. We perform a detailed characterization of key effects, including lattice Raman scattering and atomic collisions in a shallow lattice configuration, determining a 174(28) s 3 𝑃 0 clock state lifetime. Investigation of atomic coherence across a range of lattice depths and atomic densities reveals decoherence mechanisms related to photon scattering and atomic interaction. At a reduced density, we observe a coherence time of 118(9) s, approaching the fundamental limit set by spontaneous emission. Guided by this coherence understanding, we demonstrate a clock instability for an atomic ensemble of 1.5 × 10 −18 at 1 s in fractional frequency units. Our results are important for further advancing the state of the art of an optical lattice clock for fundamental physics applications.

atomic, optical, & lattice clocks↗

DOE OSTI2015

Artificial Neural Network as the FPGA Trigger in the Cyclone V based Front-End for a Detection of Neutrino-Origin Showers

Neutrinos play a fundamental role in the understanding of the origin of ultra-high-energy cosmic rays. They interact through charged and neutral currents in the atmosphere generating extensive air showers. However, their a very low rate of events potentially generated by neutrinos is a significant challenge for a detection technique and requires both sophisticated algorithms and high-resolution hardware. A trigger based on a artificial neural network was implemented into the Cyclone{sup R} V E FPGA 5CEFA9F31I7 - the heart of the prototype Front-End boards developed for tests of new algorithms in the Pierre Auger surface detectors. Showers for muon and tau neutrino initiating particles on various altitudes, angles and energies were simulated in CORSICA and Offline platforms giving pattern of ADC traces in Auger water Cherenkov detectors. The 3-layer 12-8-1 neural network was taught in MATLAB by simulated ADC traces according the Levenberg-Marquardt algorithm. Results show that a probability of a ADC traces generation is very low due to a small neutrino cross-section. Nevertheless, ADC traces, if occur, for 1-10 EeV showers are relatively short and can be analyzed by 16-point input algorithm. We optimized the coefficients from MATLAB to get a maximal range of potentially registered events and for fixed-point FPGA processing to minimize calculation errors. New sophisticated triggers implemented in Cyclone{sup R} V E FPGAs with large amount of DSP blocks, embedded memory running with 120 - 160 MHz sampling may support a discovery of neutrino events in the Pierre Auger Observatory. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Quantum Engineering With Hybrid Magnonic Systems and Materials (Invited Paper)

Quantum technology has made tremendous strides over the past two decades with remarkable advances in materials engineering, circuit design and dynamic operation. In particular, the integration of different quantum modules has benefited from hybrid quantum systems, which provide an important pathway for harnessing the different natural advantages of complementary quantum systems and for engineering new functionalities. This review focuses on the current frontiers with respect to utilizing magnetic excitations or magnons for novel quantum functionality. Magnons are the fundamental excitations of magnetically ordered solid-state materials and provide great tunability and exibility for interacting with various quantum modules for integration in diverse quantum systems. The concomitant rich variety of physics and material selections enable exploration of novel quantum phenomena in materials science and engineering. In addition, the relative ease of generating strong coupling and forming hybrid dynamic systems with other excitations makes hybrid magnonics a unique platform for quantum engineering. We start our discussion with circuit-based hybrid magnonic systems, which are coupled with microwave photons and acoustic phonons. Subsequently, we are focusing on the recent progress of magnon-magnon coupling within confined magnetic systems. Next we highlight new opportunities for understanding the interactions between magnons and nitrogen-vacancy centers for quantum sensing and implementing quantum interconnects. Lastly, we focus on the spin excitations and magnon spectra of novel quantum materials investigated with advanced optical characterization.

42 ENGINEERING↗

DOE OSTI2018

Strongly interacting dipolar-polaritons

Exciton-polaritons are mutually interacting quantum hybridizations of confined photons and electronic excitations. Here, we demonstrate a system of optically guided, electrically polarized exciton-polaritons (“dipolaritons”) that displays up to 200-fold enhancement of the polariton-polariton interaction strength compared to unpolarized polaritons. The magnitude of the dipolar interaction enhancement can be turned on and off and can be easily tuned over a very wide range by varying the applied polarizing electric field. The large interaction strengths and the very long propagation distances of these fully guided dipolaritons open up new opportunities for realizing complex quantum circuitry and quantum simulators, as well as topological states based on exciton-polaritons, for which the interactions between polaritons need to be large and spatially or temporally controlled. The results also raise fundamental questions on the origin of these large enhancements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Modeling and Fabrication of IR Photonic Devices for Plasmon-Mediated Catalysis and Sensor Applications

Sandia National Laboratories (SNL) and Southwest Research Institute (SWRI) collaborated on this CRADA to explore novel 3-D metamaterial structures or devices that are proficient at eliciting surface plasmon-polaritons at infrared (IR) frequencies. The derived structures play a central role in answering fundamental questions pertaining to the vibrational coupling of molecules with surface plasmons and the potential binding interactions or catalytic effects that result from this coupling. Three-D metamaterial samples fabricated at SNL were characterized by SWRI, showing potential utility for binding molecules with similar vibrational frequencies that match the plasmon-polaritons of the metamaterial structure.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Spin Textures at Conformal Surfaces and Interfaces: CRADA Final Report

The scientific and technological exploration of artificially designed three-dimensional magnetic nanostructures opens the path to exciting novel physical phenomena, originating from the increased complexity in spin textures, topology, and frustration in three dimensions. Theory predicts that the equilibrium magnetic ground state of two-dimensional systems which reflects the competition between symmetric (Heisenberg) and antisymmetric (Dzyaloshinskii-Moriya interaction (DMI)) exchange interaction is significantly modified on curved surfaces when the radius of local curvature becomes comparable to fundamental magnetic length scales. In this CRADA we performed collaboratively an experimental study of the spin texture in an 8 nm thin magnetic multilayer with growth-induced in-plane anisotropy and DMI deposited onto the curved surface of a 1.8µm long non-magnetic carbon nanowire with a 67 nm radius. The sample was fabricated in Juelich and with collaborators at BESSY in Berlin. Using magnetic soft x-ray tomography at the ALBA synchrotron in Spain, the three-dimensional spin configuration in this nanotube was retrieved with about 30nm spatial resolution. The transition between two vortex configurations on the two ends of the nanotube with opposite circulation occurs through a domain wall that is aligned at an inclined angle relative to the wire axis. Three-dimensional micromagnetic simulations support the experimental observations and represent a visualization of the curvature-mediated DMI. They also allow a quantitative estimate of the DMI value for the magnetic multilayered nanotube.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

H I Gas and Star Formation in Major Galaxy Pairs from the FAST All Sky H I Survey (FASHI)

Atomic hydrogen (H I ) plays a fundamental role in fueling star formation in galaxies. However, the behavior of H I gas in interacting systems, particularly galaxy pairs, remains elusive. In this work, we investigate the H I content of major mergers by crossmatching the extragalactic H I catalog from the Five-hundred-meter Aperture Spherical radio Telescope (FAST) All-Sky H I Survey with a previously established sample of isolated galaxy pairs. With the superior sensitivity of FAST, we have constructed the largest sample of major mergers with H I detections, consisting of 440 galaxy pairs: 364 spiral-spiral (S+S) and 76 spiral-elliptical (S+E) systems. We examine the H I gas fraction (f H I ), star formation rate (SFR), and H I star formation efficiency (SFE H I = SFR/M H I ) for individual galaxies in pairs. The control sample is matched in both stellar mass and redshift. We find that paired galaxies, particularly those in pairs with small projected separations (d p < 50 h −1 kpc), exhibit systematically lower (by 8.8%) H I gas fractions compared to the control galaxies. The SFR is enhanced for galaxies in the S+S pairs. The SFE H I is ∼15% higher for galaxies in the S+S pairs than in the control galaxies, while spiral galaxies in the S+E pairs show no significant difference in SFE H I compared to the control sample. These findings suggest that the merger process triggers efficient H I gas depletion and enhances star formation, especially in close S+S pairs. Notably, our sample includes 26 red spirals in paired systems. These galaxies exhibit H I deficiency and suppressed star formation activity compared to the isolated galaxies, indicating that interactions may affect quiescent spirals differently, potentially due to mechanisms similar to those of ellipticals.

Yan, Shulan 淑澜鄢 [Xiamen University (China); SDSS C↗

DOE OSTI2016

Structure and dynamics underlying elementary ligand binding events in human pacemaking channels

Although molecular recognition is crucial for cellular signaling, mechanistic studies have relied primarily on ensemble measures that average over and thereby obscure underlying steps. Single-molecule observations that resolve these steps are lacking due to diffraction-limited resolution of single fluorophores at relevant concentrations. Here, we combined zero-mode waveguides with fluorescence resonance energy transfer (FRET) to directly observe binding at individual cyclic nucleotide-binding domains (CNBDs) from human pacemaker ion channels critical for heart and brain function. Our observations resolve the dynamics of multiple distinct steps underlying cyclic nucleotide regulation: a slow initial binding step that must select a 'receptive' conformation followed by a ligand-induced isomerization of the CNBD. X-ray structure of the apo CNBD and atomistic simulations reveal that the isomerization involves both local and global transitions. Our approach reveals fundamental mechanisms underpinning ligand regulation of pacemaker channels, and is generally applicable to weak-binding interactions governing a broad spectrum of signaling processes.

Goldschen-Ohm, Marcel P.↗

NASA NTRS1977

Software development: Stratosphere modeling

A more comprehensive model for stratospheric chemistry and transport theory was developed for the purpose of aiding predictions of changes in the stratospheric ozone content as a consequence of natural and anthropogenic processes. This new and more advanced stratospheric model is time dependent and the dependent variables are zonal means of the relevant meteorological quantities which are functions of latitude and height. The model was constructed by the best mathematical approach on a large IBM S360 in American National Standard FORTRAN. It will be both a scientific tool and an assessment device used to evaluate other models. The interactions of dynamics, photochemistry and radiation in the stratosphere can be governed by a set of fundamental dynamical equations.

Chen, H. C.↗

NASA NTRS1980

Summary of the electromagnetic compatibility evaluation of the proposed satellite power system

The effects of the proposed solar power satellite (SPS) operations on electronic equipment and systems by fundamental, harmonic, and intermodulation component emissions from the orbital station; and the fundamental, harmonic, and structural intermodulation emissions from the rectenna site were evaluated. The coupling and affects interactions affecting a wide spectrum of electronic equipment are considered. The primary EMC tasking areas are each discussed separately.

Morrison, E. L., Jr.↗

NASA NTRS1982

Fundamentals of ultrasonic NDE for microstructure/material property interrelations

Some fundamental aspects of ultrasonic nondestructive evaluation for material properties and microstructure assessment are given. Ultrasonic wave interaction concepts, some recent findings, and practical ramifications are illustrated. The concepts are discussed in nonmathematical, narrative form. Additional information can be found in the references cited herein.

A. Vary↗