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DOE OSTI2024

Altered excitation energy transfer between phycobilisome and photosystems in the absence of ApcG, a small linker peptide, in Synechocystis sp. PCC 6803, a cyanobacterium

Phycobilisome (PBS) is a large pigment-protein complex in cyanobacteria and red algae responsible for capturing sunlight and transferring its energy to photosystems (PS). Spectroscopic and structural properties of various PBSs have been widely studied, however, the nature of so-called complex-complex interactions between PBS and PSs remains much less explored. In this work, we have investigated the function of a newly identified PBS linker protein, ApcG, some domain of which, together with a loop region (PB-loop in ApcE), is possibly located near the PBS-PS interface. Using Synechocystis sp. PCC 6803, we generated an ApcG deletion mutant and probed its deletion effect on the energetic coupling between PBS and photosystems. Steady-state and time-resolved spectroscopic characterization of the purified ΔApcG-PBS demonstrated that ApcG removal weakly affects the photophysical properties of PBS that the spectroscopic properties of terminal energy emitters are comparable to those of PBS from wild-type. However, analysis of fluorescence decay imaging datasets reveals that ApcG deletion induces disruptions within the allophycocyanin (APC) core, resulting in the emergence (splitting) of two spectrally diverse subgroups with some short-lived APC. Profound spectroscopic changes of the whole ΔApcG mutant cell, however, emerge during state transition, a dynamic process of light scheme adaptation. The mutant cells in State I show a substantial increase in PBS-related fluorescence. On the other hand, global analysis of time-resolved fluorescence demonstrates that in general ApcG deletion does not alter or inhibit state transitions if it is interpreted only in terms of the changes of the PSII and PSI fluorescence emission intensity. Furthermore, the results revealed yet–to–be discovered mechanism of ApcG-docking induced excitation energy transfer regulation within PBS or to Photosystems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Metal Ion Control of Photoinduced Electron Spin Polarization in Electronic Ground States

The sign and intensity of photoinduced electron spin polarization (ESP) in the electronic ground doublet states ( 2 S o /D o ) of chromophore-radical complexes can be controlled by changing the nature of the metal ion. The complexes consist of an organic radical (nitronylnitroxide, NN) covalently attached to a donor acceptor chromophore via a meta-phenylene bridge, (bpy)M(CAT-m-Ph-NN) (1) (bpy = 4,4’-di-tert-butyl-2,2’-bipyridine, M = Pd II (1-Pd) or Pt II (1-Pt), CAT = 3-tert-butylcatecholate, m-Ph = meta-phenylene). In both complexes, photoexcitation with visible light pro-duces an initial exchange-coupled, 3-spin (bpy •- , CAT +• = semiquinone (SQ) and NN • ), charge-separated doublet 2 S 1 (S = chromophore excited spin singlet configuration) excited state that rapidly decays to the ground state via a 2 T 1 (T = chromophore excited spin triplet configuration) state. This process is not expected to be spin selective and only very weak emissive ESP is found for 1-Pd. In contrast, strong absorptive ESP is generated in 1-Pt. Furthermore, it is postulated that zero-field splitting induced transitions between the chromophoric 2 T 1 and 4 T 1 states (1-Pd and 1-Pt) and spin-orbit induced transitions between 2 T 1 and NN-based quartet states (1-Pt) ac-count for the differences in polarization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

A detailed map of Higgs boson interactions by the ATLAS experiment ten years after the discovery

The standard model of particle physics describes the known fundamental particles and forces that make up our Universe, with the exception of gravity. One of the central features of the standard model is a field that permeates all of space and interacts with fundamental particles. The quantum excitation of this field, known as the Higgs field, manifests itself as the Higgs boson, the only fundamental particle with no spin. In 2012, a particle with properties consistent with the Higgs boson of the standard model was observed by the ATLAS and CMS experiments at the Large Hadron Collider at CERN. Since then, more than 30 times as many Higgs bosons have been recorded by the ATLAS experiment, enabling much more precise measurements and new tests of the theory. Here, on the basis of this larger dataset, we combine an unprecedented number of production and decay processes of the Higgs boson to scrutinize its interactions with elementary particles. Interactions with gluons, photons, and W and Z bosons—the carriers of the strong, electromagnetic and weak forces—are studied in detail. Interactions with three third-generation matter particles (bottom (b) and top (t) quarks, and tau leptons (τ)) are well measured and indications of interactions with a second-generation particle (muons, μ) are emerging. These tests reveal that the Higgs boson discovered ten years ago is remarkably consistent with the predictions of the theory and provide stringent constraints on many models of new phenomena beyond the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Ultrafast pre-solvated dodecane hole capture and subsequent damage of used nuclear fuel extraction ligands DEHBA, DEH i BA, HONTA, CMPO, HEH[EHP] and TBP

Here, two classes of used nuclear fuel (UNF) extraction ligands, amide (DEHBA, DEH i BA, HONTA) and organophosphorus (CMPO, HEH[EHP], TBP), were selected to study radiation induced damage at picosecond to nanosecond timescale using electron pulse radiolysis in n-dodecane (DD) and supported by quantum chemical calculations. Spectra after radiolysis of 200 mM extraction ligands were recorded in DD/0.3 M DCM. Absorption peaks at 365, 365, 400 and 387 nm in case of DEHBA, DEH i BA, HONTA and CMPO respectively are assigned to triplet excited states. Additional absorption peaks at 420, 460 and 600 nm of DEHBA, DEH i BA and HONTA respectively were identified as due to ligand radical cations. A concentration dependent absorption peak at 600 nm in the case of CMPO was observed and assigned due to a combination of CMPO˙ + , (CMPO) 2 ˙ + and possibly a radical degradation product of CMPO. Weak absorption peaks at 650 and 550 nm in case of HEH[EHP] and TBP were observed and tentatively assigned to their radical cations. A two-component DD˙ + decay in the presence of ligands was observed due to different ligand oxidation mechanisms: ultrafast capture of pre-solvated DD holes and diffusive capture of solvated DD holes. At high extraction ligand concentrations (>100 mM), the majority of DD holes were captured via the ultrafast pre-solvated pathway in <10 ps with C 37 values of 389, 401, 270, 374, 458 and 340 mM for DEHBA, DEHiBA, HONTA, CMPO, HEH[EHP] and TBP respectively. Following ultrafast capture, the remainder of DD holes became solvated and were captured with k = (2.32 ± 0.13), (1.78 ± 0.12), (1.38 ± 0.2), (0.98 ± 0.081), (1.09 ± 0.08) and (1.77 ± 0.046) × 10 10 for DEHBA, DEH i BA, HONTA, CMPO, HEH[EHP] and TBP respectively. Subsequent hole transfer from the extraction ligands˙ + to the low IP solute tri-p-tolylamine (TTA) showed only 4–16% hole transfer, most likely indicating ligand˙ + degradation in 0.9–4.6 ns.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2021

Drift waves enstrophy, zonal flow, and nonlinear evolution of the modulational instability

The interaction of the drift wave (DW) turbulence and zonal flow (ZF) is investigated with the modified Hasegawa–Mima equation taking into account the backreaction of ZF velocity on DW turbulence. It is shown that the y-averaged enstrophy of DW turbulence and the velocity of ZF are intrinsically related. By utilizing this feature, a nonlinear stage of DW modulational instability is considered within the framework of the wave kinetic equation. It is shown that in this approximation, the nonlinear stage of the modulational instability results in the collapsing solutions, accompanied by the “wave breaking” phenomenon. Numerical simulations based on the Hasegawa–Mima equation show that for a weak DW turbulence, Φ ̃ = ( e φ ̃ / T e ) ( L n / ρ s ) ⪝ 1 , the collapsing-like features on both ZF and y-averaged enstrophy of DW turbulence decay in time and then re-emerge again at different locations. For the case of a strong DW turbulence, Φ ̃ > 1 , where nonlinear interactions of DW harmonics dominate, stable spatial structures of ZF and y-averaged enstrophy of DW turbulence emerge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1981

Theory of stellar coronae - An interpretation of X-ray emission from non-degenerate stellar sources

It is shown that the acoustic wave heating theory of stellar coronae explains neither Einstein Observatory coronae data nor previous UV and X-ray observations of the sun and other stars, on the evidence of data implying that magnetic fields, stellar rotation rates and convection zone parameters figure in the determination of coronal heating. Einstein Observatory results suggest that O-type star coronae are heated by the interaction of turbulent stellar winds with slowly-decaying primordial magnetic fields or by radiative instabilities in the flow. The apparent absence of coronae in Ap stars is due to the stability of atmospheres in which even weak convection is suppressed by the strong field. Dynamo action is implicated in some normal A-type stars and in F- and later-type dwarfs. Coronal characteristics of dMe and dM stars, close binaries, and K- and M-type giants are also considered.

Linsky, J. L.↗

DOE OSTI2020

Entanglement properties of disordered quantum spin chains with long-range antiferromagnetic interactions

Entanglement measures are useful tools in characterizing otherwise unknown quantum phases and indicating transitions between them. Here we examine the concurrence and entanglement entropy in quantum spin chains with random long-range couplings, spatially decaying with a power-law exponent $\textit{α}$. Using the strong disorder renormalization group (SDRG) technique, we find by analytical solution of the master equation a strong disorder fixed point, characterized by a fixed point distribution of the couplings with a finite dynamical exponent, which describes the system consistently in the regime $α > \frac{1}{2}$ . A numerical implementation of the SDRG method yields a power-law spatial decay of the average concurrence, which is also confirmed by exact numerical diagonalization. However, we find that the lowest-order SDRG approach is not sufficient to obtain the typical value of the concurrence. We therefore implement a correction scheme which allows us to obtain the leading-order corrections to the random singlet state. This approach yields a power-law spatial decay of the typical value of the concurrence, which we derive both by a numerical implementation of the corrections and by analytics. Next, using numerical SDRG, the entanglement entropy (EE) is found to be logarithmically enhanced for all $\textit{α}$, corresponding to a critical behavior with an effective central charge $\textit{c}$ = ln(2), independent of $\textit{α}$. This is confirmed by an analytical derivation. Using numerical exact diagonalization (ED), we confirm the logarithmic enhancement of the EE and a weak dependence on $\textit{α}$. For a wide range of partition size $\textit{l}$, the EE fits a critical behavior with a central charge close to $\textit{c}$ = 1, which is the same as for the clean Haldane-Shastry model with a power-law-decaying interaction with $\textit{α}$ = 2. Only for small $l \ll L$, in a range which increases with the number of spins N, we find deviations which are rather consistent with the strong disorder fixed point central charge $\textit{c}$ = ln(2). Furthermore, we find using ED that the concurrence shows power-law decay, albeit with smaller power exponents than obtained by SDRG. Finally, we also present results obtained with DMRG and find agreement with ED for sufficiently small $\textit{α}$ < 2, whereas for larger $\textit{α}$ DMRG tends to underestimate the entanglement entropy and finds a faster decaying concurrence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Evidence for $CP$ violation and measurement of $CP$-violating parameters in B$^0_\mathrm{s}$ $\to$ J/$\psi\,\phi$(1020) decays in pp collisions at $\sqrt{s} =$ 13 TeV

A pioneering machine-learning-based flavor-tagging algorithm combining same-side and opposite-side tagging is used to obtain the equivalent of 27$\,$000 tagged B$^0_\mathrm{s}$$\to$ J/$\psi\, \phi$(1020) decays from pp collisions at $\sqrt{s} =$ 13 TeV, collected by the CMS experiment and corresponding to an integrated luminosity of 96.5 fb$^{-1}$. A time- and flavor-dependent angular analysis of the $\mu^+\mu^-$K$^+$K$^-$ final state is used to measure parameters of the $\mathrm{B}^0_\mathrm{s}$-$\overline{\mathrm{B}}^0_\mathrm{s}$ system. The weak phase is measured to be $\phi_\mathrm{s}$ = $-$73 $\pm$ 23 (stat) $\pm$ 7 (syst) mrad, which, combined with a $\sqrt{s}$ = 8 TeV CMS result, gives $\phi_\mathrm{s}$ = $-$74 $\pm$ 23 mrad. This value differs from zero by 3.2 standard deviations, providing evidence for $CP$ violation in B$^0_\mathrm{s}$$\to$ J/$\psi\,\phi$(1020) decays. All measured physics parameters are found to agree with standard model predictions where available.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2012

GRB 120422A: a Low-Luminosity Gamma-Ray Burst Driven by a Central Engine

GRB 120422A is a low-luminosity gamma-ray burst (GRB) associated with a bright supernova, which distinguishesitself by its relatively short T(sub 90) (approximately 5 s) and an energetic and steep-decaying X-ray tail. We analyze the Swift BurstAlert Telescope and X-ray Telescope data and discuss the physical implications. We show that the steep declineearly in the X-ray light curve can be interpreted as the curvature tail of a late emission episode around 58-86 s,with a curved instantaneous spectrum at the end of the emission episode. Together with the main activity in thefirst 20 s and the weak emission from 40 s to 60 s, the prompt emission is variable, which points to a centralengine origin in contrast to a shock-breakout origin, which is used to interpret some other nearby low-luminosity supernova GRBs. Both the curvature effect model and interpreting the early shallow decay as the coasting externalforward shock emission in a wind medium provide a constraint on the bulk Lorentz factor to be around several.Comparing the properties ofGRB 120422A and other supernova GRBs,we find that themain criterion to distinguish engine-driven GRBs from shock-breakout GRBs is the time-averaged -ray luminosity. Engine-driven GRBs likelyhave a luminosity above approximately 10(sup 48) erg s(sup -1).

engine↗

DOE OSTI2026

Plasma decay of nanosecond pulsed laser-produced Ar and Ar–H 2 O sparks at atmospheric pressure

Time-resolved diagnostics were applied to investigate free-electron properties in nanosecond laser-produced discharges generated in atmospheric pressure Ar and in Ar–3%H 2 O. The discharges were generated using 23 ns, 1064 nm laser pulses. Broadband plasma imaging and laser Thomson scattering were combined with optical emission spectroscopy, with particular emphasis on the Stark broadening of the H α and H β lines. The plasma exhibited a bright emission that persists for up to 30–40 µs after breakdown. Plasma emission was then followed by a very weak glow emission that persisted for up to 19 ms after breakdown. Peak electron number density of ∼2 × 10 17 cm −3 and electron temperature of ∼7 eV were measured. An excellent agreement between both techniques was obtained regarding absolute electron number densities. The inferred free-electron temporal decay dynamics are consistent with processes dominated by hydrodynamic expansion and two- and three-body electron–ion recombination. These results provide benchmark data for modeling nanosecond laser discharges and demonstrate the reliability of combining Thomson scattering with Stark broadening in atmospheric laser sparks.

Thomson scattering↗

DOE OSTI2024

Aligned yet large dipoles: a SMEFT study

We study a non-universal flavor scenario at the level of the Standard Model Effective Field Theory, according to which the matrix of Wilson coefficients cuW of an up-type electroweak quark dipole operator is aligned with the up-type Yukawa coupling. Such an alignment usually follows from the assumption of Minimal Flavor Violation (MFV), away from which we step by allowing the entries of cuW to be sizable along the first quark generations. A particular example, which we refer to as “inverse hierarchy MFV”, features Wilson coefficients inversely proportional to quark masses, and arises from BSM models respecting MFV and containing heavy fields that replicate the mass hierarchy of SM quarks. We then analyze the phenomenology driven by cuW at colliders and at lower-energy flavor experiments. We show that precision measurements of the process pp → Wh → γγℓν at FCC-hh could set an upper bound on |cuW| ≲ O (10 -2 )(Λ/TeV) 2 , with Λ the cutoff of the effective field theory. This bound is an order of magnitude stronger than the existing LHC bounds. Moreover, we estimate that Wh → b$\overline{b}$ℓν at HL-LHC could also give competitive bounds. In the low-energy regime, we consider bounds arising from rare kaon decays, which turn out to be loose, |c$_{uW}^{11}$ | < O (1)(Λ/TeV) 2 . We finally demonstrate that our flavor and operator assumptions can be derived from a weakly-coupled UV model, which we choose to simultaneously illustrate the UV origin of inverse hierarchy MFV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Electronic energy gap closure and metal-insulator transition in dense liquid hydrogen

Here, using quantum Monte Carlo (QMC) calculations, we investigate the insulator-metal transition observed in liquid hydrogen at high pressure. Below the critical temperature of the transition from the molecular to the atomic liquid, the fundamental electronic gap closure occurs abruptly, with a small discontinuity reflecting the weak first-order transition in the thermodynamic equation of state. Above the critical temperature, molecular dissociation sets in while the gap is still open. When the gap closes, the decay of the off-diagonal reduced density matrix shows that the liquid enters a gapless, but localized, phase: there is a crossover between the insulating and the metallic liquids. Compared to different density functional theory (DFT) functionals, our QMC calculations provide larger values for the fundamental gap and the electronic density of states close to the band edges, indicating that optical properties from DFT potentially benefit from error cancellations.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Elemental technetium as a cosmic-ray clock

Several radioactive isotopes have been proposed as clocks for the study of the mean cosmic ray confinement time, T sub e. Measurements of Be-10 and Al-26 give a value for T sub e of about 10 Myr when one uses a leaky box cosmic ray propagation model. It is important to obtain additional measurements of T sub e from other radioactive isotopes in order to check whether the confinement is the same throughout the periodic table. The possible use of Tc (Z = 43) as a cosmic clock is investigated. Since all isotopes of Tc are radioactive, one might be able to group these isotopes and use the elemental abundance as a whole. The results of the calculations are somewhat inconclusive for two reasons. First, the beta + decay half lives of two of the Tc isotopes relevant to our calculation are not known. Second, the dependence of the Tc abundance on the mean confinement time is rather weak when one considers the number of events expected in 4 trays of plastic track detectors. However, a future, finite measurement of the Beta + half lives and the possible use of the entire collecting area of the HNC to detect Tc nuclei could make the use of Tc as a cosmic ray clock more attractive.

Drach, J.↗

NASA NTRS1994

A Galerkin method for linear PDE systems in circular geometries with structural acoustic applications

A Galerkin method for systems of PDE's in circular geometries is presented with motivating problems being drawn from structural, acoustic, and structural acoustic applications. Depending upon the application under consideration, piecewise splines or Legendre polynomials are used when approximating the system dynamics with modifications included to incorporate the analytic solution decay near the coordinate singularity. This provides an efficient method which retains its accuracy throughout the circular domain without degradation at singularity. Because the problems under consideration are linear or weakly nonlinear with constant or piecewise constant coefficients, transform methods for the problems are not investigated. While the specific method is developed for the two dimensional wave equations on a circular domain and the equation of transverse motion for a thin circular plate, examples demonstrating the extension of the techniques to a fully coupled structural acoustic system are used to illustrate the flexibility of the method when approximating the dynamics of more complex systems.

Smith, Ralph C.↗

NASA NTRS2019

On the Persistence of QPOs During the SGR 1806-20 Giant Flare

The discovery of quasi-periodic brightness oscillations (QPOs) in the X-ray emission accompanying the giant flares of the soft gamma-ray repeaters SGR 1806–20 and SGR 1900+14 has led to intense speculation about their nature and what they might reveal about the interiors of neutron stars. Here we take a fresh look at the giant flare data for SGR 1806–20, and in particular we analyze short segments of the post-peak emission using a Bayesian procedure, which has not previously been applied to these data. We find at best weak evidence that any QPO persists for more than ~1 s; instead, almost all the data are consistent with a picture in which there are numerous independently excited modes that decay within a few tenths of a second. This has interesting implications for the rapidity of decay of the QPO modes, which could occur by the previously suggested mechanism of coupling to the MHD continuum. The strongest QPOs favor certain rotational phases, which might suggest special regions of the crust or of the magnetosphere. We also find several previously unreported QPOs in these data, which may help in tracking down their origin.

Miller, M Coleman↗

DOE OSTI2024

Calculating the two-photon exchange contribution to K L → μ + μ − decay

We present a theoretical framework within which both the real and imaginary parts of the complex, two-photon exchange amplitude contributing to K L → μ + μ − decay can be calculated using lattice quantum chromodynamics. The real part of this two-photon amplitude is of approximately the same size as that coming from a second-order weak strangeness-changing neutral-current process. Thus a test of the standard model prediction for this second-order weak process depends on an accurate result of this two-photon amplitude. A limiting factor of our proposed method comes from low-energy three-particle π π γ states. The contribution from these states will be significantly distorted by the finite volume of our calculation—a distortion for which there is no available correction. However, a simple estimate of the contribution of these three-particle states suggests their contribution to be at most a few percent allowing their neglect in a lattice calculation with a 10% target accuracy. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2020

Chiral effective field theory calculations of weak transitions in light nuclei

In this work, we report quantum Monte Carlo calculations of weak transitions in A≤10 nuclei, based on the Norfolk two- and three-nucleon chiral interactions, and associated one- and two-body axial currents. Furthermore, we find that the contribution from two-body currents is at the 2–3% level, with the exception of matrix elements entering the rates of 8Li, 8B, and 8He β decay. These matrix elements are suppressed in impulse approximation based on the (leading order) Gamow Teller transition operator alone; two-body currents provide a 20–30% correction, which is, however, insufficient to bring theory in agreement with experimental data. For the other transitions, the agreement with the data is satisfactory, and the results exhibit a negligible to mild model dependence when different combinations of Norfolk interactions are utilized to construct the nuclear wave functions. We report a complete study of two-body weak transition densities which reveals the expected universal behavior of two-body currents at short distances throughout the range of A=3 to A=10 systems considered here.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

The TAMUTRAP facility: A Penning trap facility at Texas A&M University for weak interaction studies

The Texas A&M University Penning Trap (TAMUTRAP) facility aims to test the standard model of the electroweak interaction by measuring the β-ν correlation parameter, a βν , for β-delayed proton emitters in the atomic mass range 20 < A < 40. Precision measurements of this correlation parameter and, inextricably, the Fierz interference parameter, are a sensitive probe of physics beyond the standard model. Here, using off-line ion sources, the TAMUTRAP facility has been commissioned by demonstrating the ability to manipulate the trapped-ion motions as well as to perform precision mass measurements. Our novel cylindrical Penning trap – the world's largest – differs from typical designs in two key aspects: the electrode structure has an 180-mm inner diameter and an overall length of 334.89 mm leading to a uniquely small length/radius ratio l/r = 3.72; and we do not use the long end cap approximation, instead our short endcap electrodes are closed and capable of being placed at an arbitrary potential. This geometry is optimized for observing β-delayed proton decays, but is also well suited for other in-trap and post-trap precision decay experiments. In addition to presenting an overview of the TAMUTRAP facility, we demonstrate that our unique Penning trap is able to measure masses with a precision similar to typical trap designs.

47 OTHER INSTRUMENTATION↗