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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

TH-AB-BRA-02: Automated Triplet Beam Orientation Optimization for MRI-Guided Co-60 Radiotherapy

Purpose: MRI guided Co-60 provides daily and intrafractional MRI soft tissue imaging for improved target tracking and adaptive radiotherapy. To remedy the low output limitation, the system uses three Co-60 sources at 120° apart, but using all three sources in planning is considerably unintuitive. We automate the beam orientation optimization using column generation, and then solve a novel fluence map optimization (FMO) problem while regularizing the number of MLC segments. Methods: Three patients—1 prostate (PRT), 1 lung (LNG), and 1 head-and-neck boost plan (H&NBoost)—were evaluated. The beamlet dose for 180 equally spaced coplanar beams under 0.35 T magnetic field was calculated using Monte Carlo. The 60 triplets were selected utilizing the column generation algorithm. The FMO problem was formulated using an L2-norm minimization with anisotropic total variation (TV) regularization term, which allows for control over the number of MLC segments. Our Fluence Regularized and Optimized Selection of Triplets (FROST) plans were compared against the clinical treatment plans (CLN) produced by an experienced dosimetrist. Results: The mean PTV D95, D98, and D99 differ by −0.02%, +0.12%, and +0.44% of the prescription dose between planning methods, showing same PTV dose coverage. The mean PTV homogeneity (D95/D5) was at 0.9360 (FROST) and 0.9356 (CLN). R50 decreased by 0.07 with FROST. On average, FROST reduced Dmax and Dmean of OARs by 6.56% and 5.86% of the prescription dose. The manual CLN planning required iterative trial and error runs which is very time consuming, while FROST required minimal human intervention. Conclusions: MRI guided Co-60 therapy needs the output of all sources yet suffers from unintuitive and laborious manual beam selection processes. Automated triplet orientation optimization is shown essential to overcome the difficulty and improves the dosimetry. A novel FMO with regularization provides additional controls over the number of MLC segments and treatment time. Varian Medical Systems; NIH grant R01CA188300; NIH grant R43CA183390.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Distinct properties of the triplet pair state from singlet fission

Singlet fission, the conversion of a singlet exciton (S 1 ) to two triplets (2 × T 1 ), may increase the solar energy conversion efficiency beyond the Shockley-Queisser limit. This process is believed to involve the correlated triplet pair state 1 (TT). Despite extensive research, the nature of the 1 (TT) state and its spectroscopic signature remain actively debated. We use an end-connected pentacene dimer (BP0) as a model system and show evidence for a tightly bound 1 (TT) state. It is characterized in the near-infrared (IR) region (~1.0 eV) by a distinct excited-state absorption (ESA) spectral feature, which closely resembles that of the S 1 state; both show vibronic progressions of the aromatic ring breathing mode. We assign these near-IR spectra to 1 (TT)→S n and S 1 →S n' transitions; S n and S n' likely come from the antisymmetric and symmetric linear combinations, respectively, of the S 2 state localized on each pentacene unit in the dimer molecule. The 1 (TT)→S n transition is an indicator of the intertriplet electronic coupling strength, because inserting a phenylene spacer or twisting the dihedral angle between the two pentacene chromophores decreases the intertriplet electronic coupling and diminishes this ESA peak. In addition to spectroscopic signature, the tightly bound 1 (TT) state also shows chemical reactivity that is distinctively different from that of an individual T 1 state. Using an electron-accepting iron oxide molecular cluster [Fe 8 O 4 ] linked to the pentacene or pentacene dimer (BP0), we show that electron transfer to the cluster occurs efficiently from an individual T 1 in pentacene but not from the tightly bound 1 (TT) state. Thus, reducing intertriplet electronic coupling in 1 (TT) via molecular design might be necessary for the efficient harvesting of triplets from intramolecular singlet fission.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Polaritons of Triplet and Binary Hybrid Structures in a Microcavity

We analyze the properties of a triplet hybrid (semiconductor—organic layer–semiconductor) in a microcavity. Analysis is performed for excitation energies reduced in the triplet from the Wannier–Mott exciton with the highest energy to the Frenkel exciton with an intermediate energy and from the Frenkel exciton to the Wannier–Mott exciton with the lowest energy. The semiconductor components of the hybrid have the form of thin nanofilms; the organic component is represented by the layer of a finite thickness smaller than the diffusion length of the Frenkel exciton. We analyze the frequency dependence of polaritons formed during the general hybridization of the Wannier–Mott excitons, the Frenkel exciton, and the fundamental model of the microcavity. We have obtained the dispersion dependences of polaritons of reduced binary hybrids and the organic layer in the microcavity. Our results can be of interest for studying the energy transfer kinetics with a multiple change in the form of energy in triplet and binary hybrid systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Triplet lifetime in gaseous argon

The MiniCLEAN is a single-phase liquid argon dark matter experiment. During the initial cooling phase, impurities within the cold gas ( $<140 K$) were monitored by measuring the scintillation light triplet lifetime, and ultimately a triplet lifetime of $3.480±0.001(stat.) ±0.064(sys.)$ μs was obtained, indicating ultra-pure argon. This is the longest argon triplet time constant ever reported. The effect of quenching of separate components of the scintillation light is also investigated.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Photonic analog of Mollow triplet with on-chip photon-pair generation in dressed modes

Making analogy with atomic physics is a powerful tool for photonic technology, witnessed by the recent development in topological photonics and non-Hermitian photonics based on parity–time symmetry. The Mollow triplet is a prominent atomic effect with both fundamental and technological importance. Here we demonstrate the analog of the Mollow triplet with quantum photonic systems. Photonic entanglement is generated with spontaneous nonlinear processes in dressed photonic modes, which are introduced through coherent multimode coupling. We further demonstrate the possibility of the photonic system to realize different configurations of dressed states, leading to modification of the Mollow triplet. Our work would enable the investigation of complex atomic processes and the realization of unique quantum functionalities based on photonic systems.

Cui, Chaohan↗
DOE OSTI2019

Tuning Singlet and Triplet Excited State Energies and Frontier Orbitals of Imidazole Host/Emitter for Hybrid White OLEDs

In this work, we report hybrid fluorescent/phosphorescent WOLEDs employing blue fluorescent and green and red phosphorescent emitters doped into a host matrix. The fluorescent emitting dopant harnesses all electrically generated high energy singlet excitons for blue emission, and the phosphorescent dopants harvest the remainder of lower-energy triplet excitons for green and red emission. This design requires the singlet state (S1) of the host to be higher than the S1 of the fluorescent dopant so that the singlet excitons generated on the host are transferred to the fluorescent dopant. Furthermore, the triplet state (T1) of the host matrix should be lower than the T1 of the fluorescent dopant so the triplet excitons generated on the fluorescent dopant can be transferred to the host matrix which will then be transferred to the green and red phosphors. To develop a host material that can serve this purpose, we tune the electronic properties of phenanthro[9,10-d]imidazole by incorporating phenyl and/or pyridyl moieties at the N1 and C2 positions of phenanthro[9,10-d]imidazole. This substitution resulted in variety of host materials with different singlet/triplet energies, quantum efficiency and redox values. The resulting phenanthro[9,10-d]imidazoles are employed as host materials for fluorescent and phosphorescent dopants and as neat fluorescent emitters. Monochromatic devices with a fluorescent emitter and the phenanthro[9,10-d]imidazoles as host materials or as neat fluorescent emitter achieved near theoretical maximum efficiency. Finally, efficient three-color hybrid WOLEDs were fabricated using the phenanthro[9,10-d]imidazoles as hosts for a fluorescent dopant or as neat fluorescent emitters and host for green and red phosphors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Towards efficient light emitters via computational design of molecules with inverted singlet-triplet gaps

To move toward rational design of efficient organic light emitting diodes based on the radical idea of inverted singlet-triplet gap (INVEST) systems, we propose a set of novel quantum chemical approaches, predictive but low-cost, to unveil a set of structural-property relationships. We perform a computational study of a series of substituted molecules based on a small set of known INVEST molecules. Our study demonstrates a high degree of correlation between the intramolecular charge transfer and the singlet-triplet energy gap and hints towards the use of a quantitative estimate of charge transfer to predict and modulate these energy gaps. We aim to create a database of INVEST molecules that includes accurate benchmarks of singlet-triplet energy gaps. Furthermore, we aim to link structural features and molecular properties, enabling a control knob for rational design.

42 ENGINEERING↗
DOE OSTI2017

The Physical Origin and Magnetic Sensitivity of the Scattering Polarization Observed in the O i IR Triplet at 777 nm

The linearly polarized solar limb spectrum caused by the absorption and scattering of anisotropic radiation has a very rich diagnostic potential, given its sensitivity to the thermal, dynamic, and magnetic structure of the solar atmosphere. A crucial first step toward its scientific exploitation is understanding the physical origin of the observed spectral line polarization and its magnetic sensitivity via the Hanle and Zeeman effects. Here, we study the linear polarization signals observed in the IR triplet of O i at 777 nm, describing in detail the multilevel radiative transfer calculations that allowed us to decipher their physical origin. We investigate the sensitivity of the calculated scattering polarization signals to various modeling parameters, finding that the observed fractional linear polarization pattern originates mainly in the solar chromosphere, although the intensity profiles of the O i IR triplet come mainly from the lower photosphere. We find that the three lines are sensitive, via the Hanle effect, to magnetic fields with strengths between 0.01 and 30 G, in a extended region of the solar atmosphere. We show this through calculations of the response function to magnetic field perturbations in a semi-empirical model of the quiet Sun atmosphere. The dominant response of the linear polarization signals occurs at heights ∼1000 km above the visible model’s surface, which demonstrates that the scattering linear polarization signals of the oxygen IR triplet encode information on the magnetism of the solar chromosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1979

The supersonic triplet - A new aerodynamic panel singularity with directional properties

A new supersonic triplet singularity has been developed which eliminates internal waves generated by panels having supersonic edges. The triplet is a linear combination of source and vortex distributions which provides the desired directional properties in the flow field surrounding the panel. The theoretical development of the triplet is described, together with its application to the calculation of surface pressure on arbitrary body shapes. Examples are presented comparing the results of the new method with other supersonic panel methods and with experimental data.

Woodward, F. A.↗
NASA NTRS1981

Development of the triplet singularity for the analysis of wings and bodies in supersonic flow

A supersonic triplet singularity was developed which eliminates internal waves generated by panels having supersonic edges. The triplet is a linear combination of source and vortex distributions which gives directional properties to the perturbation flow field surrounding the panel. The theoretical development of the triplet singularity is described together with its application to the calculation of surface pressures on wings and bodies. Examples are presented comparing the results of the new method with other supersonic methods and with experimental data.

Woodward, F. A.↗
NASA NTRS1982

Formation of the O I resonance triplet and intercombination doublet in the solar chromosphere

Spectrum synthesis calculations are presented for the O I resonance triplet at 1304 A and the intercombination doublet at 1358 A for the solar atmosphere and several variants, allowing for triplet fluorescence by the Ly-beta emission of H I. Profiles, synthesized from a seven-level plus continuum O I atom are compared to observations taken with the high-resolution spectrometer on OSO 8. It is found that the O I triplet emission is dominated by the Ly-beta fluorescence and that the agreement between observations and profiles computed with current chromospheric models is much improved over earlier studies.

Skelton, D. L.↗
NASA NTRS1994

Ab Initio Calculations of Singlet and Triplet Excited States of Chlorine Nitrate and Nitric Acid

Ab initio calculations of vertical excitations to singlet and triplet excited states of chlorine nitrate and nitric acid are reported. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low-lying singlet states of chlorine nitrate appear to be directly dissociative in the ClO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied.

Grana, Ana M.↗
NASA NTRS1993

Infrared laser spectroscopy of jet-cooled carbon clusters: structure of triplet C6

We report the first structural characterization of the triplet isomer of C6. Forty-one rovibrational/fine structure transitions in the nu 4(sigma u) antisymmetric stretch fundamental of the C6 cluster have been measured by diode laser absorption spectroscopy of a supersonic carbon cluster beam. The observed spectrum is characteristic of a centrosymmetric linear triplet state with cumulene-type bonding. The measured ground state rotational constant B0 = 0.048 479 (10)cm-1 and the effective bond length r(eff) = 1.2868 (1) angstroms are in good agreement with ab initio predictions for the linear triplet (3 sigma g-) state of C6.

Non-NASA Center↗
NASA NTRS2006

Formation of Triplet Positron-helium Bound State by Stripping of Positronium Atoms in Collision with Ground State Helium

Formation of triplet positron-helium bound state by stripping of positronium atoms in collision with ground state helium JOSEPH DI RlENZI, College of Notre Dame of Maryland, RICHARD J. DRACHMAN, NASA/Goddard Space Flight Center - The system consisting of a positron and a helium atom in the triplet state e(+)He(S-3)(sup e) was conjectured long ago to be stable [1]. Its stability has recently been established rigorously [2], and the values of the energies of dissociation into the ground states of Ps and He(+) have also been reported [3] and [4]. We have evaluated the cross-section for this system formed by radiative attachment of a positron in triplet He state and found it to be small [5]. The mechanism of production suggested here should result in a larger cross-section (of atomic size) which we are determining using the Born approximation with simplified initial and final wave functions.

Drachman, Richard J.↗
DOE OSTI2023

Triplet Fusion Upconversion for Photocuring 3D-Printed Particle-Reinforced Composite Networks

High energy photons (λ < 400 nm) are frequently used to initiate free radical polymerizations to form polymer networks, but are only effective for transparent objects. This phenomenon poses a major challenge to additive manufacturing of particle-reinforced composite networks since deep light penetration of short-wavelength photons limits the homogeneous modification of physicochemical and mechanical properties. Herein, the unconventional, yet versatile, multiexciton process of triplet–triplet annihilation upconversion (TTA-UC) is employed for curing opaque hydrogel composites created by direct-ink-write (DIW) 3D printing. TTA-UC converts low energy red light (λ max = 660 nm) for deep penetration into higher-energy blue light to initiate free radical polymerizations within opaque objects. Further, as proof-of-principle, hydrogels containing up to 15 wt.% TiO 2 filler particles and doped with TTA-UC chromophores are readily cured with red light, while composites without the chromophores and TiO 2 loadings as little as 1–2 wt.% remain uncured. Importantly, this method has wide potential to modify the chemical and mechanical properties of complex DIW 3D-printed composite polymer networks.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interlayer Triplet-Sensitized Luminescence in Layered Two-Dimensional Hybrid Metal-Halide Perovskites

In this work, we review an emerging class of 2D layered metal-halide perovskites that exhibit important photophysical behavior involving inorganic exciton-to-molecular triplet energy flow. These novel systems have potential to impact several energy-related fields and processes, including optoelectronics, photon upconversion strategies, and triplet-based photocatalysis. Early studies provided initial guidance and revealed several intriguing questions that more recent developments, in terms of both expanded and diversified compositional tuning and more sophisticated characterization, have begun to answer. These questions center around the delicate interplay between physical and electronic structure that is perturbed by choice of perovskite structural motif and organic spacer properties. In addition to their distinct natures, the energy offsets between the metal-halide and molecular excitons can be leveraged for a variety of unique effects and emergent properties, including fast interlayer energy transfer. We review the key advances with an eye toward strategies for controlling photophysical outcomes based on structure-energy-function relationships.

14 SOLAR ENERGY↗
DOE OSTI2018

Transport of Spin-Entangled Triplet Excitons Generated by Singlet Fission

We present that singlet fission provides a promising route for overcoming the Shockley-Queisser limit in solar cells using organic materials. Despite singlet fission dynamics having been extensively investigated, the transport of the various intermediates in relation to the singlet and triplet states is largely unknown. Here we employ temperature-dependent ultrafast transient absorption microscopy to image the transport of singlet fission intermediates in single crystals of tetracene. These measurements suggest a mobile singlet fission intermediate state at low temperatures, with a diffusion constant of 36 cm 2 s -1 at 5 K, approaching that for the free singlet excitons, which we attribute to the spin-entangled correlated triplet pair state 1 [TT]. In conclusion, these results indicate that 1 [TT] could transport with a similar mechanism as the bright singlet excitons, which has important implications in designing materials for singlet fission and spintronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗