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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Theory and simulations of cross-beam energy transfer between speckled laser beams

In this paper, we introduce a realistic modeling of laser beams smoothed by random phase plates to investigate cross-beam energy transfer (CBET). We compute the total field of the smoothed laser beams, which allows us to perform accurate simulations and to build a model accounting for the realistic structure of the speckles. This lets us confirm the results already discussed in a previous work given by Oudin et al. [Phys. Plasmas 29, 112112 (2022)]. When CBET is induced by a plasma flow, plane wave models can predict the exchange between smoothed laser beams. By contrast, when the exchange is caused by a wavelength shift between the laser fields of each beam, plane wave models overestimate the energy transfer, even for strongly Landau-damped ion acoustic waves. We also show that the laser angular spread, which results from its focusing, affects the resonance between the ponderomotive force induced by the laser fields and the ion acoustic wave. It increases the resonance width, which weakly depends on the Landau damping rate when there is a wavelength shift and no flow. In addition, the power transfer obtained with or without a phase plate is essentially the same in the perturbative regime and for small crossing angles.

Laser plasma interactions↗
DOE OSTI2021

Electron-Beam-Induced Molecular Plasmon Excitation and Energy Transfer in Silver Molecular Nanowires

In this work, we investigate (1) electron-beam-induced plasmon absorption spectra of Ag molecular nanowire dimers and (2) electron-beam-induced energy transfer between two nanowires. We employ linear-response time-dependent density functional theory (TDDFT) and real-time TDDFT methods to simulate the electron-beam-induced plasmonic excitations, dynamics, and corresponding electron energy loss spectrum for small models of a single molecular nanowire with four Ag atoms and for two Ag nanowires. An array of different relative orientations of nanowires and of different initial excitation conditions resulting from applying an electron beam at different positions with respect to the Ag nanowires is investigated. The results demonstrate (1) an electron beam can induce plasmonic excitations from the molecular Ag nanowire ground state to the excited states that are both optically allowed and forbidden, (2) a tunability for selective excitations that can be controlled by the position of a focused electron beam, and (3) kinetic and dynamic behaviors of time-dependent electron-beam-induced energy transfer between two Ag molecular nanowires depend on the position of the beam source and nanowire separation distance, providing insights into the spatial dependences of plasmonic couplings in nanowire arrays.

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

Forward and backward stimulated Raman scattering in multi-speckled beams: Density dependence and effects on cross-beam energy transfer

Particle-in-cell simulations of cross-beam energy transfer (CBET) between multi-speckled beams reveal a potentially prominent energy loss from forward stimulated Raman scattering (FSRS) in the amplified seed beam [Yin et al., Phys. Plasmas 26, 082708 (2019)]. In this work, an intensity scan is used to examine this energy loss in the CBET-amplified seed beam at intensities of a few times 1014 W/cm2. Electron tracers demonstrate both the trapping in the electron plasma waves that is sustained over multiple speckles and the subsequent acceleration to velocities well beyond the phase velocity. Motivated by expanding our understanding of this energy loss mechanism, we isolate the FSRS density dependence by using a 2×1014 W/cm2 pulse to scan densities between 0.06 ncr and 0.12 ncr; a spectral analysis characterizes the energy losses from scattering with the changing densities. At saturation, both greater beam attenuation is measured at the laser frequency and larger scattering FSRS angles are observed as density increases, along with a rapid transition to primarily backscatter SRS between 0.10 ncr and 0.12 ncr, earlier than predicted by linear theory. Density gradients are shown to effectively mitigate oblique FSRS and beam energy losses in the two lower density cases, whereas 0° forward scattering is primarily suppressed in the higher density cases. Finally returning to the two-beam CBET system of interest, the interplay and mitigation of the secondary instabilities at larger domain and beam spatial scales are discussed, here also examining backward stimulated Brillouin scattering.

Stark, D. J. (ORCID:0000000203642733)↗
NASA NTRS1976

A scaling law for energy transfer by inelastic electron-molecule collisions in mixtures

The equation governing the electron energy distribution in the presence of a spatially uniform electric field in a weakly ionized gas was reformulated into an integral equation for the logarithmic slope of the distribution function. For gas mixtures in which the dominant electron energy loss mechanism is by vibrational excitation of the molecules, this equation is suitable for approximate analysis and exact numerical solution by iteration. Superelastic collisions are easily included in this formulation, and do not seriously effect the convergence of the numerical scheme. The approximate analytical results are only qualitatively correct, but suggest appropriate parameters which correlate the exact numerical results very well. The distribution function as well as certain gross properties such as net energy transfer into vibration, mean energy, and drift velocity depend primarily on a single nondimensional parameter involving only E/N and the cross sections.

Bienkowski, G. K.↗
DOE OSTI2025

Spin-Correlated Radical Pairs as Magnetic Switches for Controlling Emissive Triplet States via Triplet–Triplet Energy Transfer

Magnetic fields offer a powerful means to control molecular emission, enabling quantum sensing and spin-level control of chemical reactions. Here, we demonstrate a strategy to magnetically control red to near-infrared phosphorescence via triplet–triplet energy transfer (TTET) from donor–chiral bridge–acceptor (D−χ–A) molecules that generate spin-correlated radical pairs (SCRPs) upon photoexcitation. These SCRPs yield non-emissive triplet excited states whose formation is sensitive to magnetic fields. Here, by transferring this energy to emissive Pt- and Pd-based π-extended porphyrins, we enable magnetic control over phosphorescence that would otherwise be unresponsive to weak magnetic fields (<1 T). This approach establishes a platform for quantifying magnetic field effects on silent triplet states while extending magnetically responsive emission into the near-infrared. Coupling SCRP-based molecular magnetic switches to long-wavelength emissive acceptors offers a new way for probing and modulating spin-dependent processes and triplet-state populations in molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

A study of the generation of linear energy transfer spectra for space radiations

The conversion of particle-energy spectra into a linear energy transfer (LET) distribution is a guide in assessing biologically significant components. The mapping of LET to energy is triple valued and can be defined only on open subintervals. A well-defined numerical procedure is found to allow generation of LET spectra on the open subintervals that are integrable in spite of their singular nature.

Wilson, John W.↗
NASA NTRS1976

Double-quantum vibrational energy transfer in the O3-CO and O3-OCS systems

Using the CO2 laser induced fluorescence technique at 298 K for excitation of the P(30) transition in O3 or the P(22) transition in OCS, double-quantum vibrational energy transfer was studied in the O3-CO and O3-OCS binary gas systems. Rapid rates were observed for energy transfer from the CO (nu = 1) to the coupled O3(200), O3(101), and O3(002) levels, as well as for the transfer from the coupled O3(001) and O3(100) levels to the OCS(020) level. Deactivation of OCS by N2, Ar, and OCS was studied and deactivation rate constants were measured. The experimental results are compared with those calculated using the first order perturbation theory of dipole transition-moment interactions (Sharma and Brau, 1969) as modified by Tam (1972). An attempt is made to interpret the obtained results.

Hui, K.-K.↗
DOE OSTI2022

3D simulations of inertial confinement fusion implosions part 1: inline modeling of polarized cross beam energy transfer and subsequent drive anomalies on OMEGA and NIF

Inertial confinement fusion experiments are sensitive to cross-beam energy transfer (CBET), a laser-plasma instability that redistributes laser energy in the coronal plasma through self-generated ion acoustic wave (IAW) gratings. The detailed CBET coupling depends on the polarization state of the crossing wavefields. CBET itself can also scramble the beam polarizations by inducing ellipticity through the IAW grating, and rotating the seed polarization toward that of the pump. We develop a ray-based model that describes the polarized CBET coupling and that is compatible with the framework of 3D inline radiative hydrodynamics simulations. The model is implemented in the ASTER/IFRIIT code and verified against an academic test case and an offline polarized CBET post-processor. It is then applied to the detailed configuration of the distributed polarization rotator system on OMEGA, where results highlight how polarized CBET induces significant low modes in the collisional absorption source term. Finally, the modeling is applied to a simple indirect-drive configuration, comparing CBET calculations with 96 unpolarized or polarized beams with 24 unpolarized quads. It is shown that these cases produce similar power amplification per cone of beams grouped with similar polar angles. However, the 96 beam geometry itself is found to reduce azimuthal variations in quad power after the interaction and favors beams with larger polar angles within the cones, an effect that is amplified by the polarized CBET. Application of the model to inline calculations of OMEGA implosions are presented in a companion paper.

3D inline modeling↗
DOE OSTI2023

Energy transfer and scale dynamics in 2D and 3D laser-driven jets

We demonstrate a methodology for diagnosing the multiscale dynamics and energy transfer in complex HED flows with realistic driving and boundary conditions. The approach separates incompressible, compressible, and baropycnal contributions to energy scale-transfer and quantifies the direction of these transfers in (generalized) wavenumber space. We use this to compare the kinetic energy (KE) transfer across scales in simulations of 2D axisymmetric vs fully 3D laser-driven plasma jets. Using the FLASH code, we model a turbulent jet ablated from an aluminum cone target in the configuration outlined. We show that, in addition to its well known bias for underestimating hydrodynamic instability growth, 2D modeling suffers from significant spurious energization of the bulk flow by a turbulent upscale cascade. In 2D, this arises as vorticity and strain from instabilities near the jet's leading edge transfer KE upscale, sustaining a coherent circulation that helps propel the axisymmetric jet farther (⁠ ≈25% by 3.5 ns) and helps keep it collimated. In 3D, the coherent circulation and upscale KE transfer are absent. Here, the methodology presented here may also help with inter-model comparison and validation, including future modeling efforts to alleviate some of the 2D hydrodynamic artifacts highlighted in this study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2018

Hybrid Reduced Order Model for N2-N2 Interactions for Application to Dissociation and Energy Transfer Processes

This work presents a general framework for model reduction of non-equilibrium energy transfer and dissociation processes. The multi-group maximum-entropy method is coupled with the quasi-classical trajectory method to directly construct a reduced order model for chemical non-equilibrium. Kinetic data is calculated by applying detailed balance at a microscopic level, overcoming the limitation of calculating recombination kinetic data. This approach enables the construction of a reduced order model for kinetics which bypasses the need to compute state-to-state kinetic data. This physics based reduced order model ensures that an equilibrium distribution is reached given infinite time, while allowing for non-equilibrium distributions during the relaxation and dissociation processes. A proof-of-concept test case demonstrates the applicability of this model by comparison with state-to-state kinetic data for the N2(Chi (sup 1) Sigma ((sub g), (sup plus sign)) minus N ((exp 4) S (sub u)) system with excellent agreement.

Maximum Entropy↗
NASA NTRS1990

Determination of molecular spectroscopic parameters and energy-transfer rates by double-resonance spectroscopy

The spectroscopy of small to medium-size polyatomic molecules can be extremely complex, especially in higher-lying overtone and combination vibrational levels. The high density of levels also complicates the understanding of inelastic collision processes, which is required to model energy transfer and collision broadening of spectral lines. Both of these problems can be addressed by double-resonance spectroscopy, i.e., time-resolved pump-probe measurements using microwave, infrared, near-infrared, and visible-wavelength sources. Information on excited-state spectroscopy, transition moments, inelastic energy transfer rates and propensity rules, and pressure-broadening parameters may be obtained from such experiments. Examples are given for several species of importance in planetary atmospheres, including ozone, silane, ethane, and ammonia.

Steinfeld, J. I.↗
DOE OSTI2026

Generalizing Reversible Triplet–Triplet Energy Transfer as a Strategy to Increase Excited-State Lifetime in Copper(I) Charge-Transfer Chromophores

In this work, we generalize reversible triplet–triplet energy transfer (TTET) as a strategy to achieve long (μs range) excited-state lifetimes in copper(I) photosensitizers of the general formula Cu(RNacNac)(CN-Ar) (RNacNac is a substituted β-diketiminate and CN-Ar is an aryl isocyanide). Six new complexes are presented where the isocyanide is substituted with a triplet–acceptor moiety─anthracene, naphthalene, or phenanthrene. In-depth photophysical analysis reveals that energetic matching of the charge-transfer ( 3 CT) and acceptor-localized 3 (π→π*) states is key to achieving long triplet excited-state lifetimes via reversible TTET. With 2-isocyanoanthracene as the acceptor ligand, 3 CT and 3(π→π*) are not energetically proximate, and irreversible quenching of 3 CT occurs. With a small 0.1–0.2 eV gap between the two triplet states, luminescence originates from the 3 CT state with a moderate excited-state lifetime of 250 or 283 ns observed. As key to the success of this approach, we demonstrate that altering the N-substituent on the RNacNac ligand modulates the energy of the 3 CT state, giving three complexes where the 3 CT and 3 (π→π*) energies are perfectly matched and the excited-state lifetimes are much longer, spanning 1.9–2.7 μs. As such, the key lesson of this work is that long triplet-state lifetimes in these compounds can be achieved by proper “mixing and matching” of the RNacNac ligand, which influences the 3 CT energy, and the triplet acceptor group which dictates the energy of the 3 (π→π*) state.

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

Shell Thickness and Heterogeneity Dependence of Triplet Energy Transfer between Core–Shell Quantum Dots and Adsorbed Molecules

Quantum dot (QD)-sensitized triplet energy transfer (TET) has found promising applications in photon upconversion and photocatalysis. However, the underlying mechanism of TET in the QD-acceptor complex remains unclear despite the well-developed TET theory for the molecular donor–acceptor systems. Herein, the coupling strength of TET from CdSe/CdS core–shell QDs to 9-anthracene carboxylic acid (ACA) was studied by measuring the TET rate as a function of shell thickness with time-resolved photoluminescence. The change of TET-coupling strength with increasing shell thickness was further compared to those of electron and hole transfers from QDs so that we could test whether QD-sensitized TET is mediated by the charge transfer virtual state and can be considered as simultaneous electron and hole transfers as in molecular donor–acceptor systems. The measured coupling strength of TET from the CdSe/CdS QD decreases exponentially with the CdS shell thickness r: |V|(r) = |V|(0)e –βr , with an exponential decay factor β of 0.19 Å –1 , which is smaller than the sum of the measured decay factors for electron transfer to methyl viologen (0.18 Å –1 ) and hole transfer to phenothiazine (0.29 Å –1 ) from the same QD. This inconsistency is explained by the broadening of QD shell thicknesses in the distance dependence study, which significantly modifies the TET-coupling strength and driving force, resulting in a shallower distance dependence of the TET rate constants. This study sheds light on the fundamental mechanisms of QD-sensitized TET reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗