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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Development of combined function dipole-quadrupole PMQs magnets for NSLS-II upgrade

This paper focuses on the R&D performed for the development of permanent magnets-based dipoles-quadrupoles combined function magnets (PMQs) for the future NSLSII upgrade “complex bend” lattice (CB). This new lattice uses PMQs that provide both bending (dipole) and strong focusing (quadrupole) magnetic field on the electron beam. The permanent magnet (PM) technology is suitable for the high magnetic field strengths (0.5 T, 130 T/m) required for such combine function magnets. PM technology leads to a compact magnet design that is essential in realizing the complex bend lattice concept, as well as a passive magnet solution which does not require electrical power supply reducing power consumption by ~ 80% (from 1.7 MW to 0.3 MW for NSLS-II). Two PMQs magnets designs are under consideration: A hybrid design that use both PM and soft iron poles, and Halbach type that is a pure PM design. Both PMQs designs present challenges in achieving the specified magnetic field quality due to their higher sensitivity to errors (mechanical tolerances and PM properties). This paper presents cost-effective designs and prototypes results for hybrid and Halbach PMQs, addressing various technical challenges while meeting the field requirements of the complex bend lattice for the NSLS-II upgrade.

N'gotta, Patrick [Brookhaven]↗

Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres: Splitting of magnetic dipole modes in anisotropic TiO 2 micro-spheres

Monocrystalline titanium dioxide (TiO 2 ) micro-spheres support two orthogonal magnetic dipole modes at terahertz (THz) frequencies due to strong dielectric anisotropy. For the first time, we experimentally detected the splitting of the first Mie mode in spheres of radii inline imagem through near-field time-domain THz spectroscopy. By fitting the Fano lineshape model to the experimentally obtained spectra of the electric field detected by the sub-wavelength aperture probe, we found that the magnetic dipole resonances in TiO 2 spheres have narrow linewidths of only tens of gigahertz. Lastly, anisotropic TiO 2 micro-resonators can be used to enhance the interplay of magnetic and electric dipole resonances in the emerging THz all-dielectric metamaterial technology.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm

High-performance electronic components are highly sought after in order to produce increasingly smaller and cheaper electronic devices. Drawing inspiration from inorganic dielectric materials, in which both polarizability and polarization contribute, organic materials can also maximize both. For a large set of small molecules drawn from PubChem, a Pareto-like front appears between the polarizability and dipole moment, indicating the presence of an apparent trade-off between these two properties. We tested this balance in π-conjugated materials by searching for novel conjugated hexamers with simultaneously large polar- izabilities and dipole moments with potential use for dielectric materials. Using a genetic algorithm (GA) screening technique in conjunction with an approximate density functional tight-binding method for property calculations, we were able to efficiently search chemical space for optimal hexamers. Given the scope of chemical space, using the GA technique saves considerable time and resources by speeding up molecular searches compared to a systematic search. Here, we also explored the underlying structure–function relationships, including sequence and monomer properties, that characterize large polarizability and dipole moment regimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Terahertz radiation-induced sub-cycle field electron emission across a split-gap dipole antenna

We use intense terahertz pulses to excite the resonant mode (0.6 THz) of a micro-fabricated dipole antenna with a vacuum gap. The dipole antenna structure enhances the peak amplitude of the in-gap THz electric field by a factor of ∼170. Above an in-gap E-field threshold amplitude of ∼10 MV/cm{sup −1}, THz-induced field electron emission is observed as indicated by the field-induced electric current across the dipole antenna gap. Field emission occurs within a fraction of the driving THz period. Our analysis of the current (I) and incident electric field (E) is in agreement with a Millikan-Lauritsen analysis where log (I) exhibits a linear dependence on 1/E. Numerical estimates indicate that the electrons are accelerated to a value of approximately one tenth of the speed of light.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles

The molecular dipole moment ( μ ) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly—via the ground state electron density—from high-level quantum mechanical calculations, making it an ideal target for machine learning (ML). Here, we choose to represent this quantity with a physically inspired ML model that captures two distinct physical effects: local atomic polarization is captured within the symmetry-adapted Gaussian process regression framework which assigns a (vector) dipole moment to each atom, while the movement of charge across the entire molecule is captured by assigning a partial (scalar) charge to each atom. The resulting “MuML” models are fitted together to reproduce molecular μ computed using high-level coupled-cluster theory and density functional theory (DFT) on the QM7b dataset, achieving more accurate results due to the physics-based combination of these complementary terms. The combined model shows excellent transferability when applied to a showcase dataset of larger and more complex molecules, approaching the accuracy of DFT at a small fraction of the computational cost. We also demonstrate that the uncertainty in the predictions can be estimated reliably using a calibrated committee model. The ultimate performance of the models—and the optimal weighting of their combination—depends, however, on the details of the system at hand, with the scalar model being clearly superior when describing large molecules whose dipole is almost entirely generated by charge separation. These observations point to the importance of simultaneously accounting for the local and non-local effects that contribute to μ ; furthermore, they define a challenging task to benchmark future models, particularly those aimed at the description of condensed phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Control of excitons in a bent bunch of molecular aggregates by dipole–dipole interaction with quantum dots

The nonlocal dipole–dipole interaction is studied between excitations in chromophores forming a bunch or a tube of J-aggregates and closely spaced quantum dots (QDs). Equations describing the evolution of exciton pulses in a quasi-one-dimensional medium are derived taking into account the interaction with the transition resonant to nanoparticles. It is shown that the efficient controllable resonance energy transfer can occur in the system between QDs and an exciton pulse. The efficiency of this process significantly increases if the bunch of aggregates is deformed to bend nanoparticles round. It is shown that the interaction of permanent dipole moments of QDs and chromophores leads to the formation of a potential barrier or a well. It is found that the combined influence of these factors can be used to efficiently control the dynamics of pulses in aggregates.

36 MATERIALS SCIENCE↗

Dipole-Phonon Quantum Logic with Trapped Polar Molecular Ions

The interaction between the electric dipole moment of a trapped molecular ion and the phonon modes of the confined Coulomb crystal couples the orientation of the molecule to its motion. We consider the practical feasibility of harnessing this interaction to initialize, process, and read out quantum information encoded in molecular ion qubits without ever optically illuminating the molecules. We present two schemes wherein a molecular ion can be entangled with a cotrapped atomic ion qubit, providing, among other things, a means for molecular state preparation and measurement. Here, we also show that virtual phonon exchange can significantly boost the range of the intermolecular dipole-dipole interaction, allowing strong coupling between widely separated molecular ion qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Design and Assembly of a Large-Aperture Nb 3 Sn Cos-Theta Dipole Coil With Stress Management in Dipole Mirror Configuration

The stress-management cos-theta (SMCT) coil is a new concept which has been proposed and is being developed at Fermilab in the framework of US Magnet Development Program (US-MDP) for high-field and/or large-aperture accelerator magnets based on low-temperature and high-temperature superconductors. The SMCT structure is used to reduce large coil deformations under the Lorentz forces and, thus, the excessively large strains and stresses in the coil. A large-aperture Nb 3 Sn SMCT dipole coil has been developed and fabricated at Fermilab to demonstrate and test the SMCT concept including coil design, fabrication technology and performance. The first SMCT coil has been assembled with 60-mm aperture Nb 3 Sn coil inside a dipole mirror configuration and will be tested separately and in series with the insert coil. Here this paper summarizes the large-aperture SMCT coil design and parameters and reports the coil fabrication steps and its assembly in dipole mirror configuration.

43 PARTICLE ACCELERATORS↗

Effect of Substituent Location on the Relationship between the Transition Dipole Moments, Difference Static Dipole, and Hydrophobicity in Squaraine Dyes for Quantum Information Devices

Aggregates of organic dyes that exhibit excitonic coupling have a wide array of applications, including medical imaging, organic photovoltaics, and quantum information devices. The optical properties of a dye monomer, as a basis of dye aggregate, can be modified to strengthen excitonic coupling. Squaraine (SQ) dyes are attractive for those applications due to their strong absorbance peak in the visible range. While the effects of substituent types on the optical properties of SQ dyes have been previously examined, the effects of various substituent locations have not yet been investigated. In this study, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to investigate the relationships between SQ substituent location and several key properties of the performance of dye aggregate systems, namely, difference static dipole (Δd), transition dipole moment (μ), hydrophobicity, and the angle (θ) between Δd and μ. We found that attaching substituents along the long axis of the dye could increase μ while placement off the long axis was shown to increase Δd and reduce θ. The reduction in θ is largely due to a change in the direction of Δd as the direction of μ is not significantly affected by substituent position. Hydrophobicity decreases when electron-donating substituents are located close to the nitrogen of the indolenine ring. These results provide insight into the structure–property relationships of SQ dyes and guide the design of dye monomers for aggregate systems with desired properties and performance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

The effect of dipole-dipole interactions on coercivity, anisotropy constant, and blocking temperature of MnFe{sub 2}O{sub 4} nanoparticles

Superparamagnetic manganese ferrite nanoparticles with mean size of 〈D〉 = 6.5(±1.5) nm were synthesized through a solvothermal method using Tri-ethylene glycol as a solvent. The peak temperature of zero field cooled measurements of magnetization and AC magnetic susceptibility curves shifted toward higher temperatures by applying different pressures from 0 to 1 kbar and increasing the powders compaction. The frequency dependence of AC susceptibility measurements indicated the presence of weak dipole-dipole interactions between nanoparticles. By increasing the powders compaction and interactions strength, the coercive field (H{sub c}) increased and squareness (M{sub r}/M{sub s}) decreased. The obtained effective anisotropy constant (K{sub eff}), by susceptibility measurements, was from 1.72 × 10{sup 6} to 2.36 × 10{sup 6 }ergs/cm{sup 3} for pressure of 0 to 1 kbar. These values are larger than those obtained from hysteresis loops at 5 K (0.14 × 10{sup 6} to 0.34 × 10{sup 6 }erg/cm{sup 3}). Also, the K{sub eff} was two orders of magnitude greater than that of bulk MnFe{sub 2}O{sub 4}. Size, surface effects, and total energy barrier between equilibrium states were reported as the main causes of large anisotropy. Below 75 K, a signature of weak surface spin glass was observed. However, memory effect experiment indicated that there is no collective superspin glass state in the samples. This study suggests the role of powders compaction on properties of a magnetic nanoparticles system. Furthermore, the coercivity, the anisotropy constant, and the blocking temperature are affected by changing nanoparticles compaction.

36 MATERIALS SCIENCE↗

Influence of silver nanoparticles on relaxation processes and efficiency of dipole – dipole energy transfer between dye molecules in polymethylmethacrylate films

The fluorescence and phosphorescence of dyes in thin polymethylmethacrylate (PMMA) films in the presence of ablated silver nanoparticles has been investigated in a wide temperature range by methods of femtosecond and picosecond laser photoexcitation. The fluorescence and phosphorescence times, as well as spectral and kinetic characteristics of rhodamine 6G (R6G) molecules in PMMA films are measured in a temperature range of 80 – 330 K. The temperature quenching activation energy of the fluorescence of R6G molecules in the presence of ablated silver nanoparticles is found. The vibrational relaxation rate of R6G in PMMA films is estimated, the efficiency of the dipole – dipole electron energy transfer between R6G and brilliant green molecules (enhanced by plasmonic interaction with ablated silver nanoparticles) is analysed, and the constants of this energy transfer are determined. (nanophotonics)

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Dipole Approximation to Predict the Resonances of Dimers Composed of Dielectric Resonators for Directional Emission: Dielectric Dimers Dipole Approximation

In this paper we develop a fully-retarded, dipole approximation model to estimate the effective polarizabilities of a dimer made of dielectric resonators. They are computed from the polarizabilities of the two resonators composing the dimer. We analyze the situation of full-cubes as well as split-cubes, which have been shown to exhibit overlapping electric and magnetic resonances. We compare the effective dimer polarizabilities to ones retrieved via full-wave simulations as well as ones computed via a quasi-static, dipole approximation. We observe good agreement between the fully-retarded solution and the full-wave results, whereas the quasi-static approximation is less accurate for the problem at hand. The developed model can be used to predict the electric and magnetic resonances of a dimer under parallel or orthogonal (to the dimer axis) excitation. This is particularly helpful when interested in locating frequencies at which the dimer will emit directional radiation.

42 ENGINEERING↗

A Storage Ring Experiment to Detect a Proton Electric Dipole Moment

A new experiment is described to detect a permanent electric dipole moment of the proton with a sensitivity of 10−29 e ⋅ cm by using polarized “magic” momentum 0.7 GeV/c protons in an all-electric storage ring. Systematic errors relevant to the experiment are discussed and techniques to address them are presented. The measurement is sensitive to new physics beyond the standard model at the scale of 3000 TeV.

43 PARTICLE ACCELERATORS↗

Optimal control of coupled quantum systems based on the first-order Magnus expansion: Application to multiple dipole-dipole-coupled molecular rotors

This paper presents a method for performing approximate optimal control simulations for quantum systems with multiple coupled degrees of freedom. In this work, the time evolution is simulated using the first-order Magnus expansion in the interaction picture, where the couplings between different degrees of freedom are treated as the perturbation. A numerical implementation procedure is presented that leverages upon pairwise couplings and the separability of the zeroth-order time evolution operator to achieve a reduced computational cost, which is analyzed with respect to the number of degrees of freedom. The formulation is compatible with gradient-free methods to optimize the control field, and a stochastic hill climbing algorithm is adopted for this purpose. As illustrations, optimal control simulations are performed for systems of two and three dipole-dipole-coupled molecular rotors under the influence of a control field. For the two-rotor system, the field is optimized to achieve either orientation or entanglement objectives. For the three-rotor system, the field is optimized either to orient all three rotors in the same direction or to orient one rotor in a particular direction while the other two rotors point in the opposite direction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗