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At least 1,513 records · Page 84

Slow light engineering in a photonic crystal slab waveguide through optofluidic infiltration and geometric modulation

In this paper, a new type of flat-band slow light structure with high group index (n{sub g}) and large normalized delay-bandwidth product (NDBP) in a silicon on insulator (SOI) based photonic crystal (PC) slab waveguide with a triangular lattice of circular holes is demonstrated. The dispersion engineering is performed by infiltrating optical fluids with different refractive indices n{sub f} in the first row and shifting the second row of air holes adjacent to the PC waveguide (PCW) in the longitudinal direction. In the optimized case, a high NDBP of 0.32 with a group index of 54.55 and a bandwidth of 9.13 nm could be obtained. Furthermore, an ultra-low group velocity dispersion (GVD) in the range of 10{sup –20} s{sup 2}/m is achieved in all of the structures. These results are obtained by numerical simulations based on three-dimensional (3D) plane wave expansion (PWE) method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Molecular and Material Approaches to Overcome Kinetic and Energetic Constraints in Dye-Sensitized Solar Cells

Dye-sensitized solar cells (DSSCs) have attracted a lot of interest as they proffer the possibility of extremely inexpensive and efficient solar energy conversion. The excellent performance of the most efficient DSSCs relies on two main features: 1) a high surface area nanoparticle semiconductor photoanode to allow for excellent light absorption with moderate extinction molecular dyes and 2) slow recombination rates from the photoanode to I 3 - allowing good charge collection. The I 3 - /I - couple, however, has some disadvantages, notably the redox potential limits the maximum open-circuit voltage, and the dye regeneration requires a large driving force which constrains the light harvesting ability. Thus, the design features that allow DSSCs to perform as well as they do also prevent further significant improvements in performance. As a consequence, the most efficient device configuration, and the maximum efficiency, has remained essentially unchanged over the last 16 years. Significant gains in performance are possible; however it will likely require a substantial paradigm shift. The general goal of this project is to understand the fundamental role of dye-sensitized solar cell, DSSC, components (sensitizer, redox shuttle, and photoanode) involved in key processes in order to overcome the kinetic and energetic constraints of current generation DSSCs. For example, the key to achieving high energy conversion efficiency DSSCs is the realization of a redox shuttle which fulfills the dual requirements of 1) efficient dye regeneration with a minimal driving force and 2) efficient charge collection. In current generation DSSCs, however, only one or the other of these requirements is met. We are currently primarily interested in understanding the physical underpinnings of the regeneration and recombination reactions. Our approach is to systematically vary the components involved in reactions and interrogate them with a series of photoelectrochemical (PEC) measurements. The lessons learned will ultimately be used to develop design rules for next generation DSSCs.

14 SOLAR ENERGY↗

Electronic recording of holograms with applications to holographic displays

The paper describes an electronic heterodyne recording which uses electrooptic modulation to introduce a sinusoidal phase shift between the object and reference wave. The resulting temporally modulated holographic interference pattern is scanned by a commercial image dissector camera, and the rejection of the self-interference terms is accomplished by heterodyne detection at the camera output. The electrical signal representing this processed hologram can then be used to modify the properties of a liquid crystal light valve or a similar device. Such display devices transform the displayed interference pattern into a phase modulated wave front rendering a three-dimensional image.

Claspy, P. C.↗

Ultraviolet Spectropolarimetry Conservative and Nonconservative Mass Transfer in OB Interacting Binaries

The current consensus is that at least half of the OB stars are formed in binary or multiple star systems. The evolution of OB stars is greatly influenced by whether the stars begin as close binaries, and the evolution of the binary systems depend on whether the mass transfer is conservative or nonconservative. FUV/NUV spectropolarimetry is poised to answer the latter question. This paper discusses how the Polstar spectropolarimetry mission can characterize the degree of nonconservative mass transfer that occurs at various stages of binary evolution, from the initial mass reversal to the late Algol phase, and quantify its amount. The proposed instrument combines spectroscopic and polarimetric capabilities, where the spectroscopy can resolve Doppler shifts in UV resonance lines with 10 km/s precision, and polarimetry can resolve linear polarization with 10 −3 precision or better. The spectroscopy will identify absorption by mass streams and other plasmas seen in projection against the stellar disk as a function of orbital phase, as well as scattering from extended splash structures, including jets. The polarimetry tracks the light coming from material not seen against the stellar disk, allowing the geometry of the scattering to be tracked, resolving ambiguities left by the spectroscopy and light-curve information. For example, nonconservative mass streams ejected in the polar direction will produce polarization of the opposite sign from conservative transfer accreting in the orbital plane. Time domain coverage over a range of phases of the binary orbit are well supported by the Polstar observing strategy. Special attention will be given to the epochs of enhanced systemic mass loss that have been identified from IUE observations (pre-mass reversal and tangential gas stream impact). We show how the history of systemic mass and angular momentum loss/gain episodes can be inferred via ensemble evolution through the r–q diagram. Combining the above elements will significantly improve our understanding of the mass transfer process and the amount of mass that can escape from the system, an important channel for changing the final mass and ultimate supernova of a large number of massive stars found in binaries at close enough separation to undergo interaction.

Geraldine J. Peters↗

Forward Photodynamics of the Noncanonical Red/Green NpR3784 Cyanobacteriochrome from Nostoc punctiforme

Cyanobacteriochromes (CBCRs) make up a diverse family of cyanobacterial photoreceptors distantly related to the phytochrome photoreceptors of land plants. At least two lineages of CBCRs have reacquired red-absorbing dark states similar to the phytochrome Pr resting state but are coupled to green-absorbing light-adapted states rather than the canonical far-red-absorbing light-adapted state. One such lineage includes the canonical red/green (R/G) CBCRs that includes AnPixJg2 (UniProtKB Q8YXY7) and NpR6012g4 (UniProtKB B2IU14) that have been extensively characterized. Here we examine the forward Pr photodynamics of NpR3784 (UniProtKB B2J457), a representative member of the second R/G CBCR subfamily. Using broadband transient absorption pump–probe spectroscopy, we characterize both primary (100 fs to 10 ns) and secondary (10 ns to 1 ms) forward (P r → P g ) photodynamics and compare the results to temperature-jump cryokinetics measurements. Our studies show that primary isomerization dynamics occur on an ~10 ps timescale, yet remarkably, the red-shifted primary Lumi-Rf photoproduct found in all photoactive canonical R/G CBCRs examined to date is extremely short-lived in NpR3784. Furthermore, these results demonstrate that differences in reaction pathways reflect the evolutionary history of R/G CBCRs despite the convergent evolution of their photocycle end products.

*Light↗

J-aggregation in porphyrin nanoparticles induced by diphenylalanine

In this report, L-diphenylalanine-decorated tetraphenylporphyrin (TPPtFF{sub C}) was synthesized and self-assembled into regular nano-architechtures. The morphology of the assemblies varied with the concentration of TPPtFF{sub C}. The absorption spectra of the nanoparticles show the Soret band merges with the Q bands and redistributes with great red-shift, indicative of the formation of J-aggregates of the porphyrin molecules. The fluorescence emission of the nanoparticles is merged and red-shifted to near-infrared region. Studies of absorption and fluorescence spectra reveal an indispensible role of diphenylalanine group in the formation of J-aggregates. The Raman spectra disclose that diprotonation of the porphyrin core contributes to delocalized coherent excited states in the nanoparticles. The positive cotton effect in circular dichroism spectra corresponding to the Soret band of TPPtFF{sub C} in solution confirms the formation of J-aggregates with right-handed chirality of the dipole moment. This report will shed light on the rational design of porphyrin-peptide conjugates to mimic naturally light-harvesting complexes. - Graphical abstract: TPPtFF{sub C} was synthesized and self-assembled into regular nano-architectures. Photophysical property studies of the nanoparticles indicate the porphyrin molecules form typical J-aggregates. The diprotonation of the porphyrin core and the FF group play an indispensible role in the formation of J-aggregates. - Highlights: • Porphyrin-peptide conjugates were self-assembled into regular nanostructures. • The photophysical properties of the nanoparicles indicate formation of typical J-aggregates. • The Raman spectra confirm that diprotonation of the porphyrin core contributes to exciton coherence in the nanoparticles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spin–phonon couplings in transition metal complexes with slow magnetic relaxation

Spin–phonon coupling plays an important role in single-molecule magnets and molecular qubits. However, there have been few detailed studies of its nature. Here in this paper, we show for the first time distinct couplings of g phonons of Co II (acac) 2 (H 2 O) 2 (acac = acetylacetonate) and its deuterated analogs with zero-field-split, excited magnetic/spin levels (Kramers doublet (KD)) of the S = 3/2 electronic ground state. The couplings are observed as avoided crossings in magnetic-field-dependent Raman spectra with coupling constants of 1–2 cm -1 . Far-IR spectra reveal the magnetic-dipole-allowed, inter-KD transition, shifting to higher energy with increasing field. Density functional theory calculations are used to rationalize energies and symmetries of the phonons. A vibronic coupling model, supported by electronic structure calculations, is proposed to rationalize the behavior of the coupled Raman peaks. In conclusion, this work spectroscopically reveals and quantitates the spin–phonon couplings in typical transition metal complexes and sheds light on the origin of the spin–phonon entanglement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Minimally disruptive optical control of protein tyrosine phosphatase 1B

Protein tyrosine phosphatases regulate a myriad of essential subcellular signaling events, yet they remain difficult to study in their native biophysical context. Here we develop a minimally disruptive optical approach to control protein tyrosine phosphatase 1B (PTP1B)—an important regulator of receptor tyrosine kinases and a therapeutic target for the treatment of diabetes, obesity, and cancer—and we use that approach to probe the intracellular function of this enzyme. Our conservative architecture for photocontrol, which consists of a protein-based light switch fused to an allosteric regulatory element, preserves the native structure, activity, and subcellular localization of PTP1B, affords changes in activity that match those elicited by post-translational modifications inside the cell, and permits experimental analyses of the molecular basis of optical modulation. Findings indicate, most strikingly, that small changes in the activity of PTP1B can cause large shifts in the phosphorylation states of its regulatory targets.

59 BASIC BIOLOGICAL SCIENCES↗

Femtosecond exciton dynamics in WSe 2 optical waveguides

Van-der Waals (vdW) atomically layered crystals can act as optical waveguides over a broad range of the electromagnetic spectrum ranging from Terahertz to visible. Unlike common Si-based waveguides, vdW semiconductors host strong excitonic resonances that may be controlled using non-thermal stimuli including electrostatic gating and photoexcitation. Here, we utilize waveguide modes to examine photo-induced changes of excitons in the prototypical vdW semiconductor, WSe 2 , prompted by femtosecond light pulses. Using time-resolved scanning near-field optical microscopy we visualize the electric field profiles of waveguide modes in real space and time and extract the temporal evolution of the optical constants following femtosecond photoexcitation. By monitoring the phase velocity of the waveguide modes, we detect incoherent A-exciton bleaching along with a coherent optical Stark shift in WSe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Luminescent, dielectric, and ferroelectric properties of Pr doped Bi{sub 7}Ti{sub 4}NbO{sub 21} multifunctional ceramics

Pr doped Bi{sub 7}Ti{sub 4}NbO{sub 21} (BTN) multifunctional ceramics were prepared by a conventional sintering technique and their luminescent, dielectric, and ferroelectric properties were investigated. The X-ray diffraction data showed that the samples were single phase, and the scanning electron microscopy image indicated that the ceramics had flake-like grains with uniform thickness. The red emission was observed under the ultraviolet and blue light excitation at room temperature. The thermal quench of luminescence was measured and the result indicated that Pr doped BTN ceramics might be potentially applied in luminescent probes and temperature sensors. With the increasing Pr{sup 3+} content, the intensity of the photoluminescence increased initially and then decreased due to concentration quenching; The Curie temperature T{sub c} was slightly shifted to the lower temperature; the ferroelectric properties was almost unchanged by doping. As a new multifunctional material, the Pr doped BTN ceramics could be used for a wide range of application, such as integrated electro-optical devices.

36 MATERIALS SCIENCE↗

A hybrid optoelectronic Mott insulator

The coupling of electronic degrees of freedom in materials to create “hybridized functionalities” is a holy grail of modern condensed matter physics that may produce versatile mechanisms of control. Correlated electron systems often exhibit coupled degrees of freedom with a high degree of tunability which sometimes lead to hybridized functionalities based on external stimuli. However, the mechanisms of tunability and the sensitivity to external stimuli are determined by intrinsic material properties which are not always controllable. A Mott metal-insulator transition (MIT) is technologically attractive due to the large changes in resistance, tunable by doping, strain, electric fields, and orbital occupancy but not, in and of itself, controllable with light. Here, an alternate approach is presented to produce optical functionalities using a properly engineered photoconductor/strongly correlated hybrid heterostructure. This approach combines a photoconductor, which does not exhibit an MIT, with a strongly correlated oxide, which is not photoconducting. Due to the intimate proximity between the two materials, the heterostructure exhibits giant volatile and nonvolatile, photoinduced resistivity changes with substantial shifts in the MIT transition temperatures. This approach can be extended to other judicious combinations of strongly correlated materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Validation of Light Water Reactor Ex-Core Calculations with VERA

The Consortium for Advanced Simulation of Light Water Reactors (CASL) Virtual Environment for Reactor Applications (VERA) is a reactor simulation software. It offers unique capabilities by combining high-fidelity in-core radiation transport with temperature feedback by using MPACT (a deterministic neutron transport code) and COBRA-TF (a thermal-hydraulic code) with follow-on, fixed-source transport calculations using the Shift Monte Carlo code to calculate ex-core quantities of interest. In these coupled calculations, MPACT provides Shift with the fission source for follow-on ex-core calculations. These ex-core simulations can be set up to calculate detector responses, as well as the flux and fluence in ex-core regions of interest, such as the reactor pressure vessel, nozzle, and irradiated capsules. A Watts Bar Nuclear Plant Unit 1 (WBN1) ex-core model was developed, as described in this paper, and this model was used to perform coupon calculations. The results for the coupon flux calculations show close agreement with the reference values for cycle 1 produced by the two-dimensional Discrete Ordinates Transport (DORT) code and presented in a BWXT Services Inc. report. However, differences in the results (10%) seen in cycles 2 and 3 and the reasons for these differences are discussed in this paper. The VERA WBN1 model was also used to perform a vessel fluence calculation for cycle 1. Additionally, a collaboration between CASL and Duke Energy led to the first code-to-code validation of VERA for reactor ex-core applications that used a model for the Shearon Harris reactor. Results from this collaboration show excellent agreement between VERA and the Monte Carlo N-Particle Transport Code for the detector response calculations. The work performed under this collaboration is also detailed in this paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Discovery of a low-luminosity, tight substellar binary at the T/Y transition

We have discovered that the brown dwarf WISE J014656.66+423410.0 is a close binary (0.″ 0875 ± 0.″ 0021, 0.93{sub −0.16}{sup +0.12} AU) from Keck laser guide star adaptive optics imaging. Our photometry for this system reveals that both components are less luminous than those in any known substellar binary. Combining a new integrated-light spectrum (T9p) and resolved YJH-band photometry from Keck allows us to perform spectral decomposition and assign component types of T9 and Y0. Many of the unusual features in the spectrum might be explained by high surface gravity: Y-band peak broadened to the blue; J-band peak broadened to the red; H-band peak shifted slightly to the red; and red Y − J colors. Interestingly, the very low component luminosities imply that the T9 primary is unexpectedly cold (T{sub eff} = 345 ± 45 K assuming an age of 10 Gyr), making it ≈100 K cooler than any other late-T dwarf and comparable to Y dwarfs. One intriguing explanation for this apparent discrepancy is that the J- and H-band spectral features that trigger the transition from T to Y spectral types are highly gravity dependent. This can be tested directly in the very near future by orbit monitoring. We constrain the orbital period to be ≲10 yr by combining evolutionary-model-based mass estimates for the components (≈12–21 M{sub Jup}, 1σ at 10 Gyr) with a statistical constraint on the semimajor axis (≲1.3 AU). Such a period is shorter than any other known T/Y transition binary, meaning that WISE J0146+4234AB will likely yield a dynamical mass within the next few years.

79 ASTRONOMY AND ASTROPHYSICS↗

Polarized photoluminescence of nc-Si–SiO{sub x} nanostructures

The effect of photoluminescence polarization memory in nc-Si–SiO{sub x} light-emitting structures containing Si nanoparticles (nc-Si) in an oxide matrix is for the first time studied. The polarization properties of continuous and porous nanostructures passivated in HF vapors (or solutions) are studied. It is established that the polarization memory effect is manifested only after treatment of the structures in HF. The effect is also accompanied by a shift of the photoluminescence peak to shorter wavelengths and by a substantial increase in the photoluminescence intensity. It is found that, in anisotropic nc-Si–SiO{sub x} samples produced by oblique deposition in vacuum, the degree of linear photoluminescence polarization in the sample plane exhibits a noticeable orientation dependence and correlates with the orientation of SiO{sub x} nanocolumns forming the structure of the porous layer. These effects are attributed to the transformation of symmetrically shaped Si nanoparticles into asymmetric elongated nc-Si particles upon etching in HF. In continuous layers, nc-Si particles are oriented randomly, whereas in porous structures, their preferential orientation coincides with the orientation of oxide nanocolumns.

36 MATERIALS SCIENCE↗

Modeling aerosol transmission spectra from n(λ) and k(λ) infrared optical constants measurements of organic liquids and solids

The effects of light scattering and refraction play significantly different roles for aerosols than for bulk materials, making it challenging to identify aerosolized chemicals using traditional spectral methods or spectral reference libraries. Due to a potentially infinite number of particle morphologies, sizes, and compositions, constructing a database of laboratory-measured aerosol spectra is not a practical solution. Here, as an alternative approach, the measured n / k optical vectors of two example organic materials (diethyl phthalate and D-mannitol) are used in combination with particle absorption / scattering theory (Mie theory and FDTD) and the Beer-Lambert law to generate a series of synthetic infrared transmission / scattered light spectra. The synthetic spectra show significant differences versus simple slab transmission spectra, even for small changes in particle size (e.g., 5 vs. 10 µm) for both single particles and ensembles, potentially serving as useful reference data for aerosol sensing. For spherical single particles with diameters of 1 to 10 µm, FDTD simulations predict changes in the magnitudes of spectral shifts and the shapes of the peaks vs. particle size with only small deviations from Mie theory predictions, yet reliably capture the direction of the shifts. Typical spectral peak shifts in the longwave infrared correspond to Δλ ∼0.20 µm (∼34 cm -1 ) when compared to corresponding slab transmission spectra. Additionally, synthetic spectra generated from the n / k values derived using two different methods (KBr pellet transmission and single-angle reflectance) are compared using the Mie theory model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

PHOTOMETRIC SUPERNOVA CLASSIFICATION WITH MACHINE LEARNING

Automated photometric supernova classification has become an active area of research in recent years in light of current and upcoming imaging surveys such as the Dark Energy Survey (DES) and the Large Synoptic Survey Telescope, given that spectroscopic confirmation of type for all supernovae discovered will be impossible. Here, we develop a multi-faceted classification pipeline, combining existing and new approaches. Our pipeline consists of two stages: extracting descriptive features from the light curves and classification using a machine learning algorithm. Our feature extraction methods vary from model-dependent techniques, namely SALT2 fits, to more independent techniques that fit parametric models to curves, to a completely model-independent wavelet approach. We cover a range of representative machine learning algorithms, including naive Bayes, k -nearest neighbors, support vector machines, artificial neural networks, and boosted decision trees (BDTs). We test the pipeline on simulated multi-band DES light curves from the Supernova Photometric Classification Challenge. Using the commonly used area under the curve (AUC) of the Receiver Operating Characteristic as a metric, we find that the SALT2 fits and the wavelet approach, with the BDTs algorithm, each achieve an AUC of 0.98, where 1 represents perfect classification. We find that a representative training set is essential for good classification, whatever the feature set or algorithm, with implications for spectroscopic follow-up. Importantly, we find that by using either the SALT2 or the wavelet feature sets with a BDT algorithm, accurate classification is possible purely from light curve data, without the need for any redshift information.

79 ASTRONOMY AND ASTROPHYSICS↗