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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 523 records · Page 29

Semantic Search with Sentence-BERT for Design Information Retrieval

Managing and referencing design knowledge is a critical activity in the design process. However, reliably retrieving useful knowledge can be a frustrating experience for users of knowledge management systems due to inherent limitations of standard keyword-based searches. In this research, we consider the task of retrieving relevant lessons learned from the NASA Lessons Learned Information System (LLIS). To this end, we apply a state-of-the-art natural language processing (NLP) technique for information retrieval: semantic search with sentence-BERT, which is a modification of a Bidirectional Encoder Representations from Transformers (BERT) model that uses siamese and triplet network architectures to obtain semantically meaningful sentence embeddings. While the pretrained sBERT model shows excellent out-of-the-box performance, we further fine-tune the model on data from the LLIS so that it learns on design engineering-relevant vocabulary. We quantify the improvement in query results using both standard sBERT and fine-tuned sBERT over the LLIS’s built-in keyword search. Additionally, we demonstrate a use case for the query system by searching for lessons learned relevant to specific requirements from a NASA project as part of a broader knowledge management and retrieval system. Results indicate that applying state-of-the-art natural language processing techniques, especially when fine-tuned using engineering data, to design information retrieval tasks shows significant promise in modernizing design knowledge management systems.

Hannah S. Walsh↗

The Acetylene Bridge in Intramolecular Singlet Fission: A Boon or A Nuisance?

Various analogues of the alkylsilylacetylene group are frequently used as auxiliary groups to enhance the solubility and stability of the acene dimer core, widely used as platforms to investigate intramolecular singlet fission (iSF) mechanisms. However, while in the 2,2’-linked dimers they are primarily auxiliary groups, these are essential fragments of the bridging units in 6,6’/5,5’-linked dimers, the two preferred choices for dimerization. The starkly different iSF dynamics observed in the two variants raise the question of what role the acetylene bridges play. Here, we systematically designed a set of (oligo-)para-phenylene bridged 2,2’-linked pentacene dimers with an additional acetylene fragment in the bridging unit to mimic the structure of 6,6’-linked dimers. Contrasting the results with previously reported analogous 2,2’-linked and 6,6’-linked pentacene dimers reveals that the acetylene bridges contribute to significant conformational freedom. This effect provides a mechanism to promote spin evolution within the triplet pair to achieve free triplets but also offers new parasitic pathways for triplet-pair recombination, revealing that this structural motif can be both a boon and a nuisance. Additionally, our analysis reveals that these bridges directly modify the electronic states, highlighting significant pitfalls of the standard chromophore-bridge-chromophore framework used to design and interpret photophysics of iSF materials.

14 SOLAR ENERGY↗

Semantic Search with Sentence-BERT for Design Information Retrieval

Managing and referencing design knowledge is a critical activity in the design process. However, reliably retrieving useful knowledge can be a frustrating experience for users of knowledge management systems due to inherent limitations of standard keyword-based searches. In this research, we consider the task of retrieving relevant lessons learned from the NASA Lessons Learned Information System (LLIS). To this end, we apply a state-of-the-art natural language processing (NLP) technique for information retrieval (IR): semantic search with sentence-BERT, which is a modification of a Bidirectional Encoder Representations from Transformers (BERT) model that uses siamese and triplet network architectures to obtain semantically meaningful sentence embeddings. While the pre-trained sBERT model performs well out-of-the-box, we further fine-tune the model on data from the LLIS so that it learns on design engineering-relevant vocabulary. We quantify the improvement in query results using both standard sBERT and fine-tuned sBERT over a keyword search. Our use case throughout the paper is to use queries related to specific requirements from a NASA project. Fine tuning the sBERT model on LLIS data yields a mean average precision (MAP) of 0.807 on queries based on information needs from a real NASA project. Results indicate that applying state-of-the-art natural language processing techniques, especially when finetuned using engineering data, to design information retrieval tasks shows significant promise in modernizing design knowledge management systems.

Hannah S. Walsh↗

Topological superconductivity from forward phonon scatterings

Searching for topological superconductors with non-Abelian states has been attracting broad interest. The most commonly used recipe for building topological superconductors utilizes the proximity effect, which significantly limits the working temperature. Here, we propose a mechanism to attain topological superconductivity via forward phonon scatterings. Our crucial observation is that electron-phonon interactions with small momentum transfers favor spin-triplet Cooper pairing under an applied magnetic field. This process facilitates the formation of chiral topological superconductivity even without Rashba spin-orbit coupling. As a proof of concept, we propose an experimentally feasible heterostructure to systematically study the entangled relationship among forward-phonon scatterings, Rashba spin-orbit coupling, pairing symmetries, and the topological property of the superconducting state. This theory not only deepens our understanding of the superconductivity induced by the electron-phonon interaction but also sheds light on the critical role of the electron-phonon coupling in pursuing non-Abelian Majorana quasiparticles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Competing Electronic Ground States in the Heavy-Fermion Superconductor CeRh 2 As 2

CeRh 2 ⁢As 2 is rare among superconductors, in that the magnetic field tunes it between two distinct superconducting phases. Combined with a lack of local inversion symmetry and an upper critical field exceeding the Pauli paramagnetic limit, this excitingly suggests triplet multicomponent superconductivity. Preceding the superconducting onset, 𝑓-electron correlations cause long-range order, attributed both to local antiferromagnetism and itinerant (quadrupole) density waves. A magnetic field provides a significant perturbation of the 𝑓 electrons and may reveal the nature of the many-body correlations. Therefore, we report comprehensive magnetization and magnetotransport studies on microstructured devices in fields of up to 73 T. Applied along the 𝑐 axis, the field causes a low-temperature change of majority (hole) carrier density at 𝜇 0⁢ 𝐻 ≈ 2⁢4 T. By contrast, in-plane fields produce a cascade of phase transitions; the field-induced in-plane conductivity anisotropy and lack of accompanying magnetic features, plus the closed-dome nature of the overall phase boundary is consistent with a hierarchy of field-induced density-wave states.

36 MATERIALS SCIENCE↗

Wind Variability of B Supergiants: The Rapid Rotator HD 64760 (B0.5 Ib) - No. 1

We present the results of a 6 day time series of observations of the rapidly rotating B0.5 Ib star HD 64760. We point out several reasons why such intermediate luminosity B supergiants are ideal targets for wind variability studies and then present our results that show the following: continuous wind activity throughout the 6 day run with the wind never in steady state for more than a few hr; wind variability very near nu = 0 km sec(exp -1) in the resonance lines from the lower ionization stages (Al III and C II); a distinct correlation between variability in the Si III ; lambda(lambda)1300 triplets, the strong C III (lambda)1247 singlet, and the onset of extremely strong wind activity, suggesting a connection between photospheric and wind activity; long temporal coherence in the behavior of the strong absorption events; evidence for large-scale spatial coherence, implied by a whole scale, simultaneous weakening in the wind absorption over a wide range in velocities; and ionization variability in the wind accompanying the largest changes in the absorption strengths of the wind lines. In addition, modeling of the wind lines provides the following information about the state the wind in HD 64760. The number of structures on the portion of a constant velocity surface occulting the stellar disk at a particular time must be quite small, while the number on the entire constant velocity surface throughout the wind must be large. The escape probability at low velocity is overestimated by a normal beta approx. 1 velocity law, perhaps due to the presence of low-velocity shocks deep in the wind or a shallow velocity gradient at low velocity. Estimates of the ionization structure in the wind indicate that the ionization ratios are not those expected from thermal equilibrium wind models or from an extrapolation of previous O star results. The large observed q(N V)/q(Si IV) ratio is almost certainly due to distributed X-rays, but the level of ionization predicted by distributed X-ray wind models is inconsistent with the predicted mass-loss rate. Thus, it is impossible to reconcile the observed ionization ratios and the predicted mass-loss rate within the framework of the available models.

Massa, Derck↗

Photographic observation of reactive stream impingement

The theoretical and experimental study described was carried out to gain insight into the physical-chemical mechanism which controls hypergolic propellant reactive stream separation (RSS), with a view toward establishing design criteria. The approach employed was to observe photographically single element injector combustion of N2O4/MMH, N2O4/A-50, and N2O4/N2H4 propellants. Single element injectors were used to provide an unobstructed view of the impingement zone. Hot firings were conducted in a special photographic chamber. High-speed color motion pictures were used to identify the occurrence of RSS. Four conventional unlike doublet injectors, two conventional triplet injectors, and three platelet injectors were used in the tests. A simulation of the Space Shuttle platelet injector was included. The most important design criterion derived from the study states that the element should be designed to avoid transitions between mixed and separated modes within the engine operational envelope.

Lawver, B. R.↗

Spin bipolaron in the framework of emery model for high-T(sub c) copper oxide superconductors

The high-T(sub c) oxide compounds discovered recently exhibit a number of interesting physical properties. Two-dimensional antiferromagnetic spin order has been observed in these materials at the oxygen deficiency. This fact can be explained by strong correlation of the spins, situated on Cu sites in the conducting planes of the oxide superconductors. The doping or the oxygen deficiency lead to the occurrence of holes, occupying the oxygen p-orbitals according to the Emery model. At the small hole concentration they can move along the antiferromagnetic lattice of spins, localized on Cu sites. Researchers consider the two holes situation and describe in what way their behavior depends on the antiferromagnetic exchange interation J. It is known that in the framework of Hubbard model with strong on-site Coulomb repulsion, a single hole can form a spin polaron of the large radius. It is reasonable to admit that two holes with parallel spins (triplet) form the spin bipolaron complex owing to the hole excitations' capability to polarize Cu spin surroundings. Such an excitation was considered in the phenomenological way. Here the problem is discussed on the basis of the microscopic approach in the framework of the variational principle. A special kind of wave function is used for such a purpose. The wave function is constructed by generalizing the trial functions proposed in over two holes excitation situation (triplet) and then the region of spin bipolaron existance in the framework of Emery model is studied. In this model the Hamiltonian can be easily rewritten by forming the oxygen states transforming as the irreducible representations of the group D(sub 4).

Golub, A. A.↗

High-field superconducting halo in UTe 2

The heavy fermion material UTe 2 is a candidate topological superconductor that exhibits multiple magnetic field–induced superconducting phases. One such phase exists only at fields greater than 40 tesla, a considerable scale given its critical temperature of only 2 K. Here, in this work, we extend measurements of this state with fields outside of the bc crystallographic plane and reveal its core structure: The superconducting phase wraps around the b axis in a halo-like fashion and appears to be stabilized by a field component perpendicular to the magnetic easy axis. This angle dependence points to a multicomponent spin-triplet order parameter with a finite angular momentum of the Cooper pairs. The pairing mechanism remains enigmatic, and UTe 2 ’s specific magnetophilic superconducting tendencies seem incompatible with existing models for field-enhanced superconductivity.

Lewin, Sylvia K. [National Inst. of Standards and ↗

Enhancement of antiferromagnetic spin fluctuations in UTe2 under pressure revealed by 125 Te NMR

Characterizing magnetic fluctuations is one of the keys to understanding the origin of superconductivity in the spin-triplet superconductor UTe 2 , which exhibits two superconducting (SC) phases (SC1 and SC2) under pressure: SC1 where the superconducting transition temperature of 𝑇c decreases with pressure, whereas 𝑇c of SC2 rises with pressure. Previously, D. Ambika et al. [Phys. Rev. B 105, L220403 (2022)] reported the possible coexistence of ferromagnetic (FM) and antiferromagnetic (AFM) spin fluctuations in UTe2 under pressure from their nuclear magnetic resonance (NMR) measurements. To delve into the relationship between the magnetic fluctuations and the two SC phases, we have carried out detailed 125 Te NMR measurements on a single crystal of UTe2 with 𝑇c=1.6K at various pressures ranging from 0 to 2.05 GPa. By comparing the temperature 𝑇 dependence of nuclear spin-lattice relaxation rates divided by temperature 1/𝑇1⁢𝑇 with that of the Knight shift 𝐾 for magnetic fields along the 𝑎, 𝑏, and 𝑐 directions, we evidence the enhancement of AFM spin fluctuations with increasing pressure. Based on the results, we suggest that FM spin fluctuations are more favorable for SC1 and AFM spin fluctuations are crucial for SC2. Our work will inspire further study on this material to understand the peculiar SC phases in detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Theoretical study of the reaction mechanism and kinetics of the phenyl + propargyl association

Potential energy surface for the phenyl + propargyl radical recombination reaction has been studied at the CCSD(T)-F12/cc-pVTZ-f12//B3LYP/6-311G** level of theory for the closed-shell singlet species and at the triplet–singlet gap CASPT2/cc-pVTZ-CCSD(T)-F12/cc-pVTZ-f12//CASSCF/cc-pVTZ level of theory for the diradical species. High-pressure limit rate constants for the barrierless channels were evaluated with variable reaction coordinate transition state theory (VRC-TST). Rice–Ramsperger–Kassel–Marcus Master Equation (RRKM-ME) calculations have been performed to assess temperature- and pressure-dependent phenomenological rate constants and product branching ratios. Here, the entrance channels of the radical association reaction produce 3-phenyl-1-propyne and phenylallene which can further dissociate/isomerize into a variety of unimolecular and bimolecular products. Theoretical evidence is presented that, at combustion relevant conditions, the phenyl + propargyl recombination provides a feasible mechanism for the addition of a second five-member ring to the first six-member aromatic ring producing the prototype two-ring species indene and indenyl. Rate expressions for all important reaction channels in a broad range of temperatures and pressures have been generated for kinetic modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling of the O I 989-A to 1173-A ratio in the terrestrial dayglow

The O I 989-A and 1173-A intensities in the midlatitude dayglow are modeled for the conditions of a Jan. 17, 1985, rocket flight. It is found that the branching ratio required to fit the 1173-A data is in agreement with the laboratory measurement of 1.3-1.5 x 10 to the -4th. The results also suggest that the electron impact excitation cross section for the 3s1 3D0 state in current use may be too large by a factor of about 2-3, in agreement with recent laboratory results. If this is indeed the case, then the 1173-A triplet is by far the most important branch for the 989-A multiplet.

Gladstone, G. R.↗

Tripling down on the W boson mass

A new precision measurement of the W boson mass has been announced by the CDF collaboration, which strongly deviates from the Standard Model prediction. In this article, we study the implications of this measurement on the parameter space of the SU(2) L triplet extension (with hypercharge Y=1) of the Standard Model Higgs sector, focusing on a limit where the new triplet is approximate Z 2 -odd while the SM is Z 2 -even. We study the compatibility of the triplet spectrum preferred by the W boson mass measured by the CDF-II experiment with other electroweak precision observables and Higgs precision data. We comprehensively consider the signals of new Higgs states at the LHC and highlighted the promising search channels. In addition, we also investigate the cosmological implications of the case in which the lightest new Higgs particle is either late decaying or cosmologically stable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Absolute Definition of Phase Shift in the Elastic Scattering of a Particle from Compound Systems

The projection of the target wave function on the total wave function of a scattered particle interacting with the target system is used to define an absolute phase shift including any multiples of pi. With this definition of the absolute phase shift, one can prove rigorously in the limit of zero energy for s-wave electrons scattered from atomic hydrogen that the triplet phase shift must approach a nonzero multiple of pi. One can further show that at least one pi of this phase shift is not connected with the existence of a bound state of the H- ion.

Temkin, A.↗

Charge Transfer Dynamics in Dye-Sensitized Photocatalysts Using Metal Complex Sensitizers with Long-Wavelength Visible Light Absorption Based on Singlet–Triplet Excitation

An Os(II) polypyridyl complex was applied as a photosensitizer in dye-sensitized photocatalyst systems based on Pt-intercalated HCa 2 Nb 3 O 10 and Pt-loaded TiO 2 . The Os(II) complex exhibits a spin-forbidden but partially allowed triplet metal-to-ligand charge transfer ( 3 MLCT) transition, enabling broad visible light absorption up to 800 nm, which surpasses that of conventional Ru(II)-based dyes. Despite its shorter excited-state lifetime compared to Ru(II) complexes, efficient electron injection from the excited Os(II) dye into the semiconductor was confirmed. Under visible-light irradiation, the Os(II)- sensitized photocatalysts showed higher H 2 evolution activity than the Ru(II)-sensitized photocatalysts when sodium ascorbate was used as an electron donor, demonstrating effective utilization of long-wavelength visible light. In contrast, negligible H 2 evolution was observed when NaI was employed as a redox mediator for Z-scheme water splitting. Transient absorption spectroscopy revealed that the lack of activity stemmed from inefficient electron transfer from I − to oxidized Os(II). These findings highlight the importance of selecting appropriate redox mediators to fully exploit long-wavelength dyes for overall water splitting under visible light.

artificial photosynthesis↗

Emergent spin-1 Haldane gap and ferroelectricity in a frustrated spin- 1 2 ladder

We report experimental and theoretical evidence that Rb 2 Cu 2 Mo 3 O 12 has a nonmagnetic tetramer ground state of a two-leg ladder comprising antiferromagnetically coupled frustrated spin-12 chains and exhibits a Haldane spin gap of emergent spin-1 pairs. Three spin excitations split from the spin-1 triplet by a Dzyaloshinskii-Moriya interaction are identified in inelastic neutron-scattering and electron spin resonance spectra. A tiny magnetic field generates ferroelectricity without closing the spin gap, indicating a unique class of ferroelectricity induced by a vector spin chirality order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Solid-state organic intermediate-band photovoltaic devices

In one aspect, solid-state organic intermediate-band photovoltaic devices are provided. A solid-state organic intermediate-band photovoltaic device, in some embodiments, comprises an organic electron donor and an organic electron acceptor, wherein the organic electron donor comprises a singlet energy level separated from a triplet energy level by an energy gap. The device also comprises a triplet sensitizer comprising singlet and triplet energy levels falling within the singlet-triplet energy gap of the electron donor.

14 SOLAR ENERGY↗

Solid-state organic intermediate-band photovoltaic devices

In one aspect, solid-state organic intermediate-band photovoltaic devices are provided. A solid-state organic intermediate-band photovoltaic device, in some embodiments, comprises an organic electron donor and an organic electron acceptor, wherein the organic electron donor comprises a singlet energy level separated from a triplet energy level by an energy gap. The device also comprises a triplet sensitizer comprising singlet and triplet energy levels falling within the singlet-triplet energy gap of the electron donor.

Rand, Barry P.↗