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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Improving Energy Transfer within Metal–Organic Frameworks by Aligning Linker Transition Dipoles along the Framework Axis

Crystalline metal-organic frameworks (MOFs) can assemble chromophoric molecules into a wide range of spatial arrangements, which are controlled by the MOF topology. Like natural light-harvesting complexes (LHCs), the precise arrangement modulates interchromophoric interactions, in turn determining excitonic behavior and migration dynamics. To unveil the key factors that control efficient exciton displacements within MOFs, we first developed linkers with low electronic symmetry (as defined by large transition dipoles) and then assembled them into MOFs. These linkers possess extended conjugation along one molecular axis, engendering low optical bandgaps and improved oscillator strength for their lowest-energy transition (S 0 → S 1 ). This enhances absorption-emission spectral overlap and boosts the efficiency of Forster resonance energy transfer, which was observed experimentally by a sizable decrease in emission quantum yield (QY), accompanied by a faster population decay profile. We find that MOFs that orient these elongated linkers along their asymmetric pore channel, e.g., the hexagonal pores in an xly network, manifested >50% decrease in their emission QY with faster decay profiles relative to their corresponding solution dissolved linkers. This is due to an efficient migration of photogenerated excitons at the crystallite peripheral sites to internal sites, which was facilitated by polarized absorption-emission overlap among the parallelly aligned linkers. In contrast, symmetric MOFs, such as those with sqc-a topological net, orient elongated linkers along two perpendicular crystal axes, which hinders efficient exciton migration. This study underscores that MOFs are promising to develop artificial LHCs, but that to achieve an efficient exciton displacement, appropriate topology-guided assembly is required to fully realize the true potential of linkers with low electronic symmetry.

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

Improved Predictability of the Indian Ocean Dipole Using Seasonally Modulated ENSO Forcing Forecasts

Despite recent progress in seasonal forecast systems, the predictive skill for the Indian Ocean Dipole (IOD) remains typically limited to a lead time of one season or less in both dynamical and empirical models. Here we develop a simple stochastic-dynamical model (SDM) to predict the IOD using seasonally modulated El Niño–Southern Oscillation (ENSO) forcing together with a seasonally modulated Indian Ocean coupled ocean-atmosphere feedback. The SDM, with either observed or forecasted ENSO forcing, exhibits generally higher skill and longer lead times for predicting IOD events than the operational Climate Forecast System version 2 and the Scale Interaction Experiment–Frontier system. The improvements mainly originate from better prediction of ENSO-dependent IOD events and from reducing false alarms. These results affirm our hypothesis that operational IOD predictability beyond persistence is largely controlled by ENSO predictability and the signal-to-noise ratio of the system. Therefore, potential future ENSO improvements in models should translate to more skillful IOD predictions.

58 GEOSCIENCES↗
DOE OSTI2019

Uniaxial transition dipole moments in semiconductor quantum rings caused by broken rotational symmetry

Semiconductor quantum rings are topological structures that support fascinating phenomena such as the Aharonov-Bohm effect and persistent current, which are of high relevance in the research of quantum information devices. The annular shape of quantum rings distinguishes them from other low-dimensional materials, and enables topologically induced properties such as geometry-dependent spin manipulation and emission. While optical transition dipole moments (TDMs) in zero to two-dimensional optical emitters have been well investigated, those in quantum rings remain obscure despite their utmost relevance to the quantum photonic applications of quantum rings. Here, we study the dimensionality and orientation of TDMs in CdSe quantum rings. In contrast to those in other two-dimensional optical emitters, we find that TDMs in CdSe quantum rings show a peculiar in-plane linear distribution. Our theoretical modeling reveals that this uniaxial TDM originates from broken rotational symmetry in the quantum ring geometries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Experimentally revealing anomalously large dipoles in the dielectric of a quantum circuit

Quantum two-level systems (TLSs) intrinsic to glasses induce decoherence in many modern quantum devices, such as superconducting qubits. Although the low-temperature physics of these TLSs is usually well-explained by a phenomenological standard tunneling model of independent TLSs, the nature of these TLSs, as well as their behavior out of equilibrium and at high energies above 1 K, remain inconclusive. Here we measure the non-equilibrium dielectric loss of TLSs in amorphous silicon using a superconducting resonator, where energies of TLSs are varied in time using a swept electric field. Our results show the existence of two distinct ensembles of TLSs, interacting weakly and strongly with phonons, where the latter also possesses anomalously large electric dipole moment. These results may shed new light on the low temperature characteristics of amorphous solids, and hold implications to experiments and applications in quantum devices using time-varying electric fields.

36 MATERIALS SCIENCE↗
DOE OSTI2023

An emerging Asian aerosol dipole pattern reshapes the Asian summer monsoon and exacerbates northern hemisphere warming

Since the early 2010s, anthropogenic aerosols have started decreasing in East Asia (EA) while have continued to increase in South Asia (SA). Yet the climate impacts of this Asian aerosol dipole (AAD) pattern remain largely unknown. Using a state-of-the-art climate model, we demonstrate that the climate response is distinctly different between the SA aerosol increases and EA aerosol decreases. The SA aerosol increases lead to ~2.7 times stronger land summer precipitation change within the forced regions than the EA aerosol decreases. Contrastingly, the SA aerosol increases, within the tropical monsoon regime, produce weak and tropically confined responses, while the EA aerosol decreases yield a pronounced northern hemisphere warming aided by extratropical mean westerly and positive air-sea feedbacks over the western North Pacific. By scaling the observed instantaneous shortwave radiative forcing, we reveal that the recent AAD induces a pronounced northern hemisphere extratropical (beyond 30°N) warming (0.024 ± 0.010 °C decade -1 ), particularly over Europe (0.049 ± 0.009 °C decade -1 ). These findings highlight the importance of the pattern effect of forcings in driving global climate and have important implications for decadal prediction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Visualizing heterogeneous dipole fields by terahertz light coupling in individual nano-junctions

The challenge underlying superconducting quantum computing is to remove materials bottleneck for highly coherent quantum devices. The nonuniformity and complex structural components in the underlying quantum circuits often lead to local electric field concentration, charge scattering, dissipation and ultimately decoherence. Here we visualize interface dipole heterogeneous distribution of individual Al/AlO$_{x}$/Al junctions employed in transmon qubits by broadband terahertz scanning near-field microscopy that enables the non-destructive and contactless identification of defective boundaries in nano-junctions at an extremely precise nanoscale level. Our THz nano-imaging tool reveals an asymmetry across the junction in electromagnetic wave-junction coupling response that manifests as hot (high intensity) vs cold (low intensity) spots in the spatial electrical field structures and correlates with defected boundaries from the multi-angle deposition processes in Josephson junction fabrication inside qubit devices. The demonstrated local electromagnetic scattering method offers high sensitivity, allowing for reliable device defect detection in the pursuit of improved quantum circuit fabrication for ultimately optimizing coherence times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Atomic configurations at InAs partial dislocation cores associated with Z-shape faulted dipoles

The atomic arrangements of two types of InAs dislocation cores associated by a Z-shape faulted dipole are observed directly by aberration-corrected high-angle annular-dark-field imaging. Single unpaired columns of different atoms in a matrix of dumbbells are clearly resolved, with observable variations of bonding lengths due to excess Coulomb force from bare ions at the dislocation core. The corresponding geometric phase analysis provides confirmation that the dislocation cores serve as origins of strain field inversion while stacking faults maintain the existing strain status.

TRANSMISSION ELECTRON MICROSCOPY↗
DOE OSTI2014

Reconstruction of the South Atlantic Subtropical Dipole index for the past 12,000 years from surface temperature proxy

Climate indices based on sea surface temperature (SST) can synthesize information related to physical processes that describe change and variability in continental precipitation from floods to droughts. The South Atlantic Subtropical Dipole index (SASD) is based on the distribution of SST in the South Atlantic and fits these criteria. It represents the dominant mode of variability of SST in the South Atlantic, which is modulated by changes in the position and intensity of the South Atlantic Subtropical High. Here we reconstructed an index of the South Atlantic Ocean SST (SASD-like) for the past twelve thousand years (the Holocene period) based on proxy-data. This has great scientific implications and important socio-economic ramifications because of its ability to infer variability of precipitation and moisture over South America where past climate data is limited. For the first time a reconstructed index based on proxy data on opposite sides of the SASD-like mode is able to capture, in the South Atlantic, the significant cold events in the Northern Hemisphere at 12.9–11.6 kyr BP and 8.6–8.0 ky BP. These events are related, using a transient model simulation, to precipitation changes over South America.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Enhanced charge separation in organic photovoltaic films doped with ferroelectric dipoles

A key requirement for realizing efficient organic photovoltaic (OPV) cells is the dissociation of photogenerated electron-hole pairs (singlet-excitons) in the donor polymer, and charge-transfer-excitons at the donor–acceptor interface. However, in modern OPVs, these excitons are typically not sufficiently harnessed due to their high binding energy. Here, we show that doping the OPV active-layers with a ferroelectric polymer leads to localized enhancements of electric field, which in turn leads to more efficient dissociation of singlet-excitons and charge-transfer-excitons. Bulk-heterojunction OPVs based on poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methyl ester are fabricated. Upon incorporating a ferroelectric polymer as additive in the active-layer, power conversion efficiencies increase by nearly 50%, and internal quantum efficiencies approach 100% – indicating complete exciton dissociation at certain photon energies. Similar enhancements in bilayer-heterojunctions, and direct influence of ferroelectric poling on device behavior show that improved dissociation is due to ferroelectric dipoles rather than any morphological change. Enhanced singlet-exciton dissociation is also revealed by photoluminescence lifetime measurements, and predicted by simulations using a numerical device model.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dipole-induced exchange bias

The discovery of dipole-induced exchange bias (EB), switching from negative to positive sign, is reported in systems where the antiferromagnet and the ferromagnet are separated by a paramagnetic spacer (AFM–PM–FM).

Chemistry↗
DOE OSTI2018

Assigning a structural motif using spontaneous molecular dipole orientation in thin films

Spontaneous orientation of molecular dipoles has been observed to produce bulk electric fields, termed ‘spontelectric’ fields, in a broad variety of molecular solid thin films formed by condensation from the gas phase. Such spontelectric fields are found in cis-methyl formate (cis-MF) and the present work combines observation of these fields with high quality ab initio studies of cis-MF monomers and dimers. This enables a prediction of the structural motif within the unit cell of the crystalline phase of solid cis-MF, showing it to be a non-polar dimer. Dimer formation at deposition temperatures of >90 K is therefore cited to contribute to the observed collapse of the spontelectric field at these temperatures. We report this is the first time that such a structural prediction has been made using observations of spontelectric behaviour as a key indicator.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Resonant two-photon photoelectron imaging and adiabatic detachment processes from bound vibrational levels of dipole-bound states

Anions cannot have Rydberg states, but anions with polar neutral cores can support highly diffuse dipole-bound states (DBSs) as a class of interesting electronically excited states below the electron detachment threshold. The binding energies of DBSs are extremely small, ranging from a few to few hundred wavenumbers and generally cannot support bound vibrational levels below the detachment threshold. Thus, vibrational excitations in the DBS are usually above the electron detachment threshold and they have been used to conduct resonant photoelectron spectroscopy, which is dominated by state-specific autodetachment. Here we report an investigation of a cryogenically-cooled complex anion, the enantiopure (R)-(–)-1-(9-anthryl)-2,2,2-trifluoroethanolate (R-TFAE–). The neutral R-TFAE radical is relatively complex and highly polar with a non-planar structure (C 1 symmetry). Photodetachment spectroscopy reveals a DBS 209 cm–1 below the detachment threshold of R-TFAE– and seven bound and eight above-threshold vibrational levels of the DBS. Resonant two-photon detachment (R2PD) via the bound vibrational levels of the DBS exhibits strictly adiabatic photodetachment behaviors by the second photon, in which the vibrational energies in the DBS are carried to the neutral final states, because of the parallel potential energy surfaces of the DBS and the corresponding neutral ground electronic state. Relaxation processes from the bound DBS levels to the ground and low-lying electronically excited states of R-TFAE– are also observed in the R2PD photoelectron spectra. Finally, the combination of photodetachment and resonant photoelectron spectroscopy yields frequencies for eight vibrational modes of the R-TFAE radical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Probing the electronic structure and dipole-bound state of the 7-azaindolide anion

We report an investigation of the electronic structure and dipole-bound state (DBS) of the cryogenically-cooled 7-azaindolide anion (7-AI − ) using high-resolution photoelectron imaging, photodetachment spectroscopy, and resonant photoelectron spectroscopy. The electron affinity of the 7-AI radical is measured to be 2.6967(8) eV (21 751 ± 6 cm −1 ). Two excited electronic states of the neutral radical are observed at 0.8 eV and 1.4 eV above the ground state. Two minor isomers of 7-AI − due to deprotonation from the α- and β-carbon on the pyrrole ring are also detected with lower adiabatic detachment energies. A DBS is observed for the 7-AI − anion at 156 cm −1 below the detachment threshold, along with 16 vibrational Feshbach resonances. Resonant two-photon photoelectron imaging reveals that the DBS is relatively long-lived. Resonant photoelectron spectroscopy via the vibrational Feshbach resonances of the DBS gives rise to rich vibrational features for the 7-AI radical not accessible in conventional photoelectron spectroscopy. Fundamental vibrational frequencies for 16 vibrational modes of the 7-AI neutral radical are measured experimentally, including 7 bending modes. The current work provides extensive experimental electronic and vibrational information for the 7-AI − anion and the 7-AI radical.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Neutron Electric Dipole Moment on the Lattice

For the neutron to have an electric dipole moment (EDM), the theory of nature must have T, or equivalently CP, violation. Neutron EDM is a very good probe of novel CP violation in beyond the standard model physics. To leverage the connection between measured neutron EDM and novel mechanism of CP violation, one requires the calculation of matrix elements for CP violating operators, for which lattice QCD provides a first principle method. In this paper, we review the status of recent lattice QCD calculations of the contributions of the QCD Θ-term, the quark EDM term, and the quark chromo-EDM term to the neutron EDM.

74 ATOMIC AND MOLECULAR 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↗