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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Pump with Broadband Probe Experiments for Single-Shot Measurements of Plasma Conditions and Crossed-Beam Energy Transfer

Here, a novel technique for measuring plasma conditions using monochromatic pump-broadband-probe laser interactions has been experimentally demonstrated. Originally proposed in Ludwig et al. [Phys. Plasmas 26, 113108 (2019)], this method utilizes crossed-beam energy transfer between the broadband probe and the pump, mediated by plasma ion acoustic waves. The complete energy transfer spectrum can be captured in a single shot, enabling the inference of plasma parameters such as density, electron and ion temperatures, and flow velocity. Compared to Thomson scattering, this technique offers signal enhancements typically larger than 9 orders of magnitude, significantly reducing the required probe laser intensity and facilitating interactions that are linear and measurements that are nonperturbative of the plasma. Furthermore, it provides a powerful tool for advancing studies of crossed-beam energy transfer under conditions relevant to inertial confinement fusion experiments.

Physics - Plasma physics↗
DOE OSTI2024

Dynamic control of the spatial frequency content of an intense laser via intra-beam energy transfer

We present theory and simulations demonstrating that bandwidth-inducing optical smoothing techniques such as smoothing by spectral dispersion (SSD) can initiate intra-beam energy transfer (IBET) within a single beam. IBET consists of energy transfer between the different frequency components of the beam and results in a simultaneous and correlated redistribution of the temporal and spatial frequencies of the laser's electric field. We identify a threshold in bandwidth for IBET to occur and validate the theory with simulations. The bandwidth and the color cycling of SSD can result in IBET in conditions relevant for high-energy density experiments at the National Ignition Facility and Omega Laser. We show that IBET could be used to manipulate a laser's spatial frequency content within a plasma. In particular, this technique could be used to increase a laser's effective f-number, with potential applications for self-guiding in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

Simulation of electronic dynamics in realistically large molecular systems is a demanding task that has not yet achieved the same level of quantitative prediction already realized for its static counterpart. This is particularly true for processes occurring beyond the Born–Oppenheimer regime. Non-adiabatic molecular dynamics (NAMD) simulations suffer from two convoluted sources of error: numerical algorithms for dynamics and electronic structure calculations. While the former has gained increasing attention, particularly addressing the validity of ad hoc methodologies, the effect of the latter remains relatively unexplored. Indeed, the required accuracy for electronic structure calculations to reach quantitative agreement with experiment in dynamics may be even more strict than that required for static simulations. In this study, we address this issue by modeling the electronic energy transfer in a donor–acceptor–donor (D–A–D) molecular light harvesting system using fewest switches surface hopping NAMD simulations. In the studied system, time-resolved experimental measurements deliver complete information on spectra and energy transfer rates. Subsequent modeling shows that the calculated electronic transition energies are “sufficiently good” to reproduce experimental spectra but produce over an order of magnitude error in simulated dynamical rates. We further perform simulations using artificially shifted energy gaps to investigate the complex relationship between transition energies and modeled dynamics to understand factors affecting non-radiative relaxation and energy transfer rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Energy Transfer in Aqueous Light Harvesting Antennae Based on Brush-like Inter-Conjugated Polyelectrolyte Complexes

Conjugated polyelectrolytes (CPEs) have the potential to serve as building blocks of artificial light-harvesting systems. This is primarily due to their delocalized electronic states and potential for hierarchical self-assembly. We showed previously that inter-CPE complexes composed of oppositely charged exciton-donor and exciton-acceptor CPEs displayed efficient electronic energy transfer. However, near ionic charge equivalence, complexed CPE chains become net-neutral and thus experience a precipitous drop in aqueous solubility. To increase the stability and to rationally manipulate the phase behavior of inter-CPE complexes, we synthesized a series of highly water-soluble exciton-donor CPEs composed of alternating ionic and polar nonionic fluorene monomers. The nonionic monomer contained oligo(ethyleneglycol) sidechains of variable length. We then formed exciton donor-acceptor complexes and investigated their relative energy transfer efficiencies in the presence of a fixed exciton-acceptor CPE. We find that, even when the polar nonionic sidechains become quite long (nine ethyleneglycol units), the energy transfer efficiency is hardly affected so long as the inter-CPE network retains a net polyelectrolyte charge. However, near the onset of spontaneous phase separation, we observe a clear influence of the length of the oligo(ethyleneglycol) sidechains on the photophysics of the complex. Our results have implications for the use of polyelectrolyte phase separation to produce aqueous light-harvesting soft materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Cross-beam energy transfer in conditions relevant to direct-drive implosions on OMEGA

In cross-beam energy transfer (CBET), the interference of two laser beams ponderomotively drives an ion-acoustic wave that coherently scatters light from one beam into the other. This redirection of laser beam energy can severely inhibit the performance of direct-drive inertial confinement fusion (ICF) implosions. To assess the role of nonlinear and kinetic processes in direct-drive-relevant CBET, the energy transfer between two laser beams in the plasma conditions of an ICF implosion at the OMEGA laser facility was modeled using particle-in-cell simulations. For typical laser beam intensities, the simulations are in excellent agreement with linear kinetic theory, indicating that nonlinear processes do not play a role in direct-drive implosions. At higher intensities, CBET can be modified by pump depletion, backward stimulated Raman scattering, or ion trapping, depending on the plasma density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Nonadiabatic Electronic Energy Transfer in Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling or Spin-Orbit Coupling?

Derivative couplings near a conical intersection and spin-orbit couplings between different spin states are known to facilitate nonadiabatic transitions in molecular systems. In this report, we investigate a prototypical electronic energy transfer process, I( 2 P 3/2 )+O 2 (a 1 Δ g )→I( 2 P 1/2 )+ O 2 (X 3 Σ g - ), which is of great importance for the chemical oxygen-iodine laser. To understand the nonadiabatic dynamics, this multistate process is investigated in full dimensionality with quantum wave packets using diabatic potential energy surfaces coupled by both derivative and spin-orbit couplings, all determined from first principles. A near quantitative agreement with structural, energetic, and kinetic measurements is achieved. Detailed analyses suggest that the nonadiabatic dynamics is largely controlled by derivative coupling near conical intersections, which leads to a small effective barrier and hence a slightly positive temperature dependence of the rate coefficient. The new findings should extend our understanding of energy transfer, provide a quantitative basis for numerical simulations of the chemical oxygen-iodine laser, and have important implications in other electronic energy transfer processes.

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

The fluorescence quantum yield parameter in Förster resonance energy transfer (FRET)—Meaning, misperception, and molecular design

The fluorescence quantum yield parameter in Förster resonance energy transfer (FRET) processes underpins vital phenomena ranging from light harvesting in photosynthesis to design of sensors for monitoring physiological processes. The criteria for choosing a donor for use in FRET processes include chemical features (solubility, bioconjugatability, synthetic accessibility, and stability) as well as photophysical properties pertaining to absorption (wavelength and molar absorption coefficient) and fluorescence (wavelength and fluorescence quantum yield). The value of the donor fluorescence quantum yield (Φf, or emphatically, Φf(D)) alone has sometimes been thought (erroneously) to place a ceiling on the possible quantum yield of energy transfer (Φtrans). A high value of the donor Φf, while attractive, is not at all essential; indeed, many valuable candidates for use as FRET donors have likely been excluded on the basis of this injudiciously applied filter. Such disregard is unwarranted. In this tutorial overview, the equations for FRET are reviewed along with pertinent core concepts in photophysics. An analogy using simple hydraulics provides a pedagogical tool for the non-aficionado to better understand photochemical kinetics. Ten examples are presented of donor–acceptor systems with donors that exhibit a range of Φf values (0.60, 0.59. 0.21, 0.17, 0.12, 0.118, 0.04, 0.018, 0.007, and 0.003; i.e., 60%–0.3%), yet for each corresponding donor–acceptor pair, the value of Φtrans is at least 0.70 and in some cases nearly 1.00 (i.e., 70%–100%). The systems encompass protein, synthetic inorganic, and synthetic organic architectures. The objectives of this illustrative review are to deepen understanding of FRET and to broaden molecular design considerations by enabling selection from among a far richer set of donors for use in FRET processes.

Lindsey, Jonathan S. (ORCID:0000000248722040)↗
DOE OSTI2020

Crossed beam energy transfer in the presence of laser speckle ponderomotive self-focusing and nonlinear sound waves

Crossed beam energy transfer, CBET, is investigated by taking into account the speckle structure of smoothed laser beams that overlap in a plasma with an inhomogeneous flow profile. Using the two-dimensional simulation code Harmony, it is shown how ponderomotive self-focusing of laser speckles in crossing beams can significantly affect the transfer of energy from one beam to the other. The role of plasma flow in speckle self-focusing is investigated and revisited, in particular its consequences in terms of redirection and increasing angular spread of the laser beams due to beam bending and plasma-induced smoothing, respectively. In close-to-sonic flow, the onset of self-focusing in the beam speckle structure occurs at considerably lower beam intensities than expected for the case without flow. CBET and speckle self-focusing can, hence, occur together when two crossed beams with equal frequency resonantly exchange energy via their ponderomotively driven density perturbations flowing with sound speed. From the simulations, it is found that consequences of ponderomotive self-focusing can be expected above an average intensity threshold scaling as $I_L~ 2 × 10^{14} W cm^{-2}(λ_0/1 μm)^{-2}(T_e/ keV)$, with an impact on the spatial and temporal coherence of the transmitted light. The density perturbations due to the ponderomotive force of the crossing beams can locally be enhanced in self-focusing speckles, partly leading to shock-like structures. These structures eventually increase the effect of plasma-induced smoothing and are at the origin of the stronger angular spread.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Energy Transfer in Lanthanide Luminescent Complexes

The primary objective of this project was to investigate the mechanisms of energy transfer in lanthanide luminescent complexes, focusing on elucidating the role of ligand-to-metal charge transfer processes and the efficiency of sensitization mechanisms. Specifically, this work aimed to determine the mechanistic details of energy transfer pathways in systems incorporating lanthanide ions such as terbium and europium, with a focus on advancing the application of these complexes in molecular imaging and photonic technologies.

Raymond, Kenneth [University of California, Berkel↗
DOE OSTI2025

Excitation Energy Transfer Dynamics from Carotenoid to Bacteriochlorophyll a in the LH2 Complex of Rhodobacter sphaeroides: Insights from Reconstitution Experiments with Carotenoids and B800 Bacteriochlorophyll a

Carotenoids are crucial for photosynthesis, playing key roles in light harvesting and photoprotection. In this study, spheroidene and bacteriochlorophyll a (Bchl a) were reconstituted into the chromatophores of the carotenoidless mutant Rhodobacter sphaeroides R26.1, resulting in the preparation of high-quality LH2 complexes. Global and target analyses of transient absorption data revealed that incorporating B800 Bchl a significantly enhances excitation energy transfer (EET) efficiency from carotenoids to Bchl a. EET predominantly occurs from the carotenoid S2 state, with additional pathways from the S1 state observed in native LH2. Unique relaxation dynamics were identified, including the generation of the carotenoid S* state in reconstituted LH2 with both spheroidene and B800 Bchl a and the formation of the carotenoid T1 state in reconstituted LH2. These findings underscore the critical influence of pigment composition and spatial organization on energy transfer mechanisms. They provide valuable insights into the molecular interplay that governs excitation energy transfer in photosynthetic light-harvesting systems.

Biochemistry & Molecular Biology↗
DOE OSTI2025

Single-Molecule Fluorescence Microscopy Reveals Energy Transfer Active versus Inactive Nanocrystal/Dye Conjugate Pairs

Defect-mediated energy transfer (EnT) is a radiative process that occurs between donor defect states in the forbidden bandgap of semiconductor nanocrystals (NCs) and dye molecules bound to their surfaces. The EnT efficiency depends on the number of dye molecules attached to each NC, the donor–acceptor distance, and the dipole orientation factor between the donor and acceptor, all of which vary across all individual NCs in a sample. While ensemble-level fluorescence spectroscopy measurements have provided average values for donor–acceptor distances, dye-to-NC ratios, and EnT rate constants, questions remain about the impact of donor/acceptor heterogeneity on observed EnT efficiencies. Notably, ensemble-level measurements cannot distinguish between bare NCs and EnT-active versus inactive NC/dye pairs in the same sample batch, limiting the ability to design systems with 100% EnT efficiency. To address this, we studied defect-mediated EnT between AlexaFluor 555 dye acceptors chemically bound to ZnO NC donors at the level of single molecules and single NCs. Interestingly, 20% of bound NC/dye pairs are EnT-inactive, likely contributing to residual defect photoluminescence (PL) observed in ensemble-level measurements and reducing overall EnT efficiency. Single particle-level ZnO defect PL and acceptor fluorescence trajectories exhibited distinct microfluctuations, which are absent in bare ZnO NCs. We hypothesized that our observations can be explained with a competitive dye fluorescence quenching pathway, possibly due to charge transfer between the excited state dye and the ZnO NC. Numerical simulations of single-molecule PL traces for this scenario produced microfluctuations consistent with the experimental results. These findings highlight the impact of sample heterogeneity on EnT processes and provide insights for designing light-harvesting systems with optimized EnT efficiency.

25 ENERGY STORAGE↗
DOE OSTI2024

Long Excited-State Lifetimes in Three-Coordinate Copper(I) Complexes via Triplet–Triplet Energy Transfer to Pyrene-Decorated Isocyanides

There has been much effort to improve excited-state lifetimes in photosensitizers based on earth-abundant first-row transition metals. Copper(I) complexes have gained significant attention in this field, and in most cases, sterically driven approaches are used to optimize their lifetimes. This study presents a series of three-coordinate copper(I) complexes (Cu1–Cu3) where the excited-state lifetime is extended by triplet–triplet energy transfer. The heteroleptic compounds feature a cyclohexyl-substituted β-diketiminate (CyNacNac Me ) paired with aryl isocyanide ligands, giving the general formula Cu(CyNacNac Me )(CN-Ar) (CN-dmp = 2,6-dimethylphenyl isocyanide for Cu1; CN-pyr = 1-pyrenyl isocyanide for Cu2; CN-dmp-pyr = 2,6-dimethyl-4-(1-pyrenyl)phenyl isocyanide for Cu3). The nature, energies, and dynamics of the low-energy triplet excited states are assessed with a combination of photoluminescence measurements at room temperature and 77 K, ultrafast transient absorption (UFTA) spectroscopy, and DFT calculations. The complexes with the pyrene-decorated isocyanides (Cu2 and Cu3) exhibit extended excited-state lifetimes resulting from triplet–triplet energy transfer (TTET) between the short-lived charge-transfer excited state ( 3 CT) and the long-lived pyrene-centered triplet state ( 3 pyr). This TTET process is irreversible in Cu3, producing exclusively the 3 pyr state, and in Cu2, the 3 CT and 3 pyr states are nearly isoenergetic, enabling reversible TTET and long-lived 3 CT luminescence. The improved photophysical properties in Cu2 and Cu3 result in improvements in activity for both photocatalytic stilbene E/Z isomerization via triplet energy transfer and photoredox transformations involving hydrodebromination and C–O bond activation. Furthermore, these results illustrate that the extended excited-state lifetimes achieved through TTET result in newly conceived photosynthetically relevant earth-abundant transition metal complexes.

14 SOLAR ENERGY↗
DOE OSTI2023

Phycobilisome protein ApcG interacts with PSII and regulates energy transfer in Synechocystis

Photosynthetic organisms harvest light using pigment–protein complexes. In cyanobacteria, these are water-soluble antennae known as phycobilisomes (PBSs). The light absorbed by PBS is transferred to the photosystems in the thylakoid membrane to drive photosynthesis. The energy transfer between these complexes implies that protein–protein interactions allow the association of PBS with the photosystems. However, the specific proteins involved in the interaction of PBS with the photosystems are not fully characterized. Here, we show in Synechocystis sp. PCC 6803 that the recently discovered PBS linker protein ApcG (sll1873) interacts specifically with PSII through its N-terminal region. Growth of cyanobacteria is impaired in apcG deletion strains under light-limiting conditions. Furthermore, complementation of these strains using a phospho-mimicking version of ApcG causes reduced growth under normal growth conditions. Interestingly, the interaction of ApcG with PSII is affected when a phospho-mimicking version of ApcG is used, targeting the positively charged residues interacting with the thylakoid membrane, suggesting a regulatory role mediated by phosphorylation of ApcG. Low-temperature fluorescence measurements showed decreased PSI fluorescence in apcG deletion and complementation strains. The PSI fluorescence was the lowest in the phospho-mimicking complementation strain, while the pull-down experiment showed no interaction of ApcG with PSI under any tested condition. In conclusion, our results highlight the importance of ApcG for selectively directing energy harvested by the PBS and imply that the phosphorylation status of ApcG plays a role in regulating energy transfer from PSII to PSI.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Interlayer Triplet Energy Transfer in Dion–Jacobson Two-Dimensional Lead Halide Perovskites Containing Naphthalene Diammonium Cations

Recently, hybrid perovskites have gained attention as sensitizers for molecular triplet generation. Layered, two-dimensional (2D) perovskites are especially well-suited for this purpose because the triplet donor (inorganic framework) and triplet acceptor (organic layer) are self-assembled into adjacent sheets, so that with the appropriate energetics, triplets can be driven across the interface. Here we examine interlayer energy transfer in a series of mixed-halide Dion–Jacobson 2D perovskites containing divalent naphthalene cations. We find that the sensitized phosphorescence in these compounds is dominated by naphthalene triplet excimer emission, but when the inorganic exciton is tuned near resonance with the naphthalene triplet, naphthalene monomer phosphorescence competes with triplet excimer formation. The interlayer energy-transfer process is further revealed by ultrafast transient absorption spectroscopy through kinetic variations in triplet excimer formation times. Ultimately, gaining control over interlayer interactions in 2D perovskites through cation design will help uncover new functions and applications for these materials.

2D perovskite↗
DOE OSTI2024

Chlorophyll to zeaxanthin energy transfer in nonphotochemical quenching: An exciton annihilation-free transient absorption study

Zeaxanthin (Zea) is a key component in the energy-dependent, rapidly reversible, nonphotochemical quenching process (qE) that regulates photosynthetic light harvesting. Previous transient absorption (TA) studies suggested that Zea can participate in direct quenching via chlorophyll (Chl) to Zea energy transfer. However, the contamination of intrinsic exciton–exciton annihilation (EEA) makes the assignment of TA signal ambiguous. In this study, we present EEA-free TA data using Nicotiana benthamiana thylakoid membranes, including the wild type and three NPQ mutants (npq1, npq4, and lut2) generated by CRISPR/Cas9 mutagenesis. The results show a strong correlation between excitation energy transfer from excited Chl Q y to Zea S 1 and the xanthophyll cycle during qE activation. Notably, a Lut S 1 signal is absent in the npq1 thylakoids which lack zeaxanthin. Additionally, the fifth-order response analysis shows a reduction in the exciton diffusion length (L D ) from 62 ± 6 nm to 43 ± 3 nm under high light illumination, consistent with the reduced range of exciton motion being a key aspect of plants’ response to excess light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Time-dependent saturation and physics-based nonlinear model of cross-beam energy transfer

The nonlinear physics of cross-beam energy transfer (CBET) for multi-speckled laser beams is examined using large-scale particle-in-cell simulations for a range of laser and plasma conditions relevant to indirect-drive inertial confinement fusion (ICF) experiments. The time-dependent growth and saturation of CBET involve complex, nonlinear ion and electron dynamics, including ion trapping-induced enhancement and detuning, ion acoustic wave (IAW) nonlinearity, oblique forward stimulated Raman scattering (FSRS), and backward stimulated Brillouin scattering (BSBS) in a CBET-amplified seed beam. Ion-trapping-induced detuning of CBET is captured in the kinetic linear response by a new δf-Gaussian-mixture algorithm, enabling an accurate characterization of trapping-induced non-Maxwellian distributions. Ion trapping induces nonlinear processes, such as changes to the IAW dispersion and nonlinearities (e.g., bowing and self-focusing), which, together with pump depletion, FSRS, and BSBS, determine the time-dependent nature and level of CBET gain as the system approaches a steady state. Using VPIC simulations at intensities at and above the onset threshold for ion trapping and the insight from the time-dependent saturation analyses, we construct a nonlinear CBET model from local laser and plasma conditions that predicts the CBET gain and the energy deposition into the plasma. This model is intended to provide a more accurate, physics-based description of CBET saturation over a wide range of conditions encountered in ICF hohlraums compared with linear CBET gain models with ad hoc saturation clamps often used in laser ray-based methods in multi-physics codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Validation of ray-based cross-beam energy transfer models

Ray-based cross-beam energy transfer (CBET) models have become a common feature of the radiation-hydrodynamic codes used to simulate inertial confinement fusion experiments. Here, these models are necessary for achieving better agreement with experimental measurements, but their detailed implementation can vary widely between the codes and often rely on artificial multipliers. To address this, a series of 2D and 3D test cases has been developed with validated solutions from wave-based calculations. Comparisons of various ray-based CBET models to the wave-based calculations highlight the essential physics that is required for accurate ray-based CBET modeling. Quantitative comparison metrics and/or field data from the wave-based calculations have been made available for use in the validation of other ray-based CBET codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗