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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tuning the Properties of Lignin‐Derived Deep Eutectic Solvents for Biomass Processing

Lignin-derived deep eutectic solvents (DESs) have been investigated as sustainable green media for biomass processing. However, the properties and processability of DESs have not been fully understood with the chemical structures of their constituents for biomass fractionation. Here, in this article, the properties of the phenolic DESs are discussed with different numbers of functional groups, such as –OCH 3 and –CHO in their hydrogen bond donor (HBD) structures. The formation of DES is significantly related to the hydrogen bond between its constituents, identified by nuclear magnetic resonance (NMR) analysis and density functional theory calculation (DFT). Lower viscosity and net basicity of DES are achieved with fewer –OCH 3 on HBD structures, resulting in enhanced processability and fractionation efficiency. The thermal stability of the DES is also influenced by the –OCH 3 and –CHO of HBD, as indicated by its onset temperature. The recyclability of the phenolic DES is confirmed by the fractionation performance of the recycled DES. Understanding the structural impacts of DES constituents on the properties and performance is crucial for designing solvents in biorefinery applications.

Ryu, Jiae [State University of New York (SUNY), Sy↗
DOE OSTI2022

The impact of forest-controlled snow variability on late-season streamflow varies by climatic region and forest structure

Previous studies have documented how forests influence snow at fine spatial scales, but none have documented the influence that existing forest-snow variability has on streamflow. Here to test how much forest-controlled snow variability influences streamflow, a tiling parameterization based on classifications from high-resolution (1–3 m) vegetation maps was incorporated into the Distributed Hydrology and Soil Vegetation Model (DHSVM). Within each grid cell (90–150 m), the tiling parameterization simulated forest-snow variability with four independently evolving snowpacks. Each tile had unique radiation conditions to represent conditions underneath the canopy, in exposed areas, and along north- and south-facing forest edges. This tiled parameterization was used to test where and when detailed forest-snow modelling should be considered further and where and when the impacts are too small to be worth the effort. To test this, tiled model simulations of streamflow were compared to non-tiled model simulations in the Sierra Nevada, CA, the Jemez Mountains, NM, and the Eastern Cascades, WA. In Tuolumne, CA, the tiled model simulated little difference in grid cell average SWE, and late-season streamflow decreased by only 3%–4% compared to the non-tiled model. In Jemez, NM, the tiled model decreased late-season streamflow by 18% due to increased sublimation. In Chiwawa, WA, the tiled model increased late-season streamflow by 15% due to high shortwave radiation attenuation and less longwave radiation enhancement from the forest. Furthermore, within the Chiwawa, a substantial silvicultural practice was synthetically implemented to increase the north-facing edge's fractional area. This silvicultural experiment, which used the same fractional forest area in all simulations increased late-season streamflow by 35% compared to tiled model simulations that did not represent forest edges. In conclusion, representing forest-SWE variability had an effect on late-season streamflow in some watersheds but not in others based on the fractional area of the forest edges, forest characteristics, and climate conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Synthesis and characterization of biobased copolyesters based on pentanediol: (1) Poly(pentylene dodecanoate–co–furandicarboxylate)

A series of biobased aliphatic-aromatic copolyesters, poly(pentylene dodecanoate-co-furandicarboxylates) (PPeDFs) were synthesized via an esterification and polycondensation melt process. The copolyesters were characterized using gel permeation chromatography, Fourier transform infrared spectroscopy, 1 H NMR spectroscopy, differential scanning calorimetry, thermogravimetric analysis, wide angle x-ray scattering, and tensile testing. The thermal transition behavior was strongly dependent on composition, with the melting and glass transition temperatures reaching a minimum at approximately equimolar ratio of D to F. All copolyesters were stable below 300°C with their R 600 (the weight of material remaining at 600°C) values increasing with F fraction. PPeD to PPeDF30 (e.g., mole ratio D/F = 7:3) show sharp PPeD crystalline reflections only while broad PPeF reflections are shown in PPeF and PPeDF90. PPeDF40 to PPeDF80 showed both crystal structures. The fractional crystallinity for the PPeD was much higher than PPeF and the fractional crystallinity of the copolymers showed a minimum at D/F ratios closer to the latter. Here, the stress at break and modulus both exhibited maxima at D/F ratios that were either high or low, but somewhat surprisingly a strong maximum in percent elongation at break of over 600% occurs at PPeDF40. For this composition, a typical plastic behavior curve was found including a yield point, high elongation at break, and strain hardening.

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

Effect of Methyl Groups on Formation of Ordered or Layered Graphitic Materials from Aromatic Molecules

Abstract Developing functionally complex carbon materials from small aromatic molecules requires an understanding of how the chemistry and structure of its constituent molecules evolve and crosslink, to achieve a tailorable set of functional properties. Here, molecular dynamics (MD) simulations are used to isolate the effect of methyl groups on condensation reactions during the oxidative process and evaluate the impact on elastic modulus by considering three monodisperse pyrene‐based systems with increasing methyl group fraction. A parameter to quantify the reaction progression is designed by computing the number of new covalent bonds formed. Utilizing the previously developed MD framework, it is found that increasing methylation leads to an almost doubling of bond formation, a larger fraction of the new bonds oriented in the direction of tensile stress, and a higher basal plane alignment of the precursor molecules along the direction of tensile stress, resulting in enhanced tensile modulus. Additionally, via experiments, it is demonstrated that precursors with a higher fraction of methyl groups result in a higher alignment of molecules. Moreover, increased methylation results in the lower spread of single molecule alignment which may lead to smaller variations in tensile modulus and more consistent properties in carbon materials derived from methyl‐rich precursors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A formalism for extracting track functions from jet measurements

The continued success of the jet substructure program will require widespread use of tracking information to enable increasingly precise measurements of a broader class of observables. The recent reformulation of jet substructure in terms of energy correlators has simplified the incorporation of universal non-perturbative matrix elements, so called “track functions”, in jet substructure calculations. These advances make it timely to understand how these universal non-perturbative functions can be extracted from hadron collider data, which is complicated by the use jet algorithms. In this paper we introduce a new class of jet functions, which we call (semi-inclusive) track jet functions, which describe measurements of the track energy fraction in identified jets. These track jet functions can be matched onto the universal track functions, with perturbatively calculable matching coefficients that incorporate the jet algorithm dependence. We perform this matching, and present phenomenological results for the charged energy fraction in jets at the LHC and EIC/HERA at collinear next-to-leading logarithmic accuracy. We show that higher moments of the charged energy fraction directly exhibit non-linear Lorentzian renormalization group flows, allowing the study of these flows with collider data. Our factorization theorem enables the extraction of universal track functions from jet measurements, opening the door to their use for a precision jet substructure program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Search for dark photons in Higgs boson production via vector boson fusion in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search is presented for a Higgs boson that is produced via vector boson fusion and that decays to an undetected particle and an isolated photon. The search is performed by the CMS collaboration at the LHC, using a data set corresponding to an integrated luminosity of 130 fb$^{−1}$, recorded at a center-of-mass energy of 13 TeV in 2016–2018. No significant excess of events above the expectation from the standard model background is found. The results are interpreted in the context of a theoretical model in which the undetected particle is a massless dark photon. An upper limit is set on the product of the cross section for production via vector boson fusion and the branching fraction for such a Higgs boson decay, as a function of the Higgs boson mass. For a Higgs boson mass of 125 GeV, assuming the standard model production rates, the observed (expected) 95% confidence level upper limit on the branching fraction is 3.5 (2.8)%. This is the first search for such decays in the vector boson fusion channel. Combination with a previous search for Higgs bosons produced in association with a Z boson results in an observed (expected) upper limit on the branching fraction of 2.9 (2.1)% at 95% confidence level.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Test of lepton flavor universality and search for lepton flavor violation in B → Kℓℓ decays

We present measurements of the branching fractions for the decays B → Kμ + μ - and B → Ke + e - , and their ratio (R K ), using a data sample of 711 fb -1 that contains 772 × 10 6 B$\bar{B}$ events. The data were collected at the Υ(4S) resonance with the Belle detector at the KEKB asymmetric-energy e + e - collider. The ratio R K is measured in five bins of dilepton invariant-mass-squared (q 2 ): q 2 $\epsilon$ (0.1, 4.0), (4.00, 8.12), (1.0, 6.0), (10.2, 12.8) and (> 14.18) GeV 2 /c 4 , along with the whole q 2 region. The R K value for q 2 $\epsilon$ (1.0, 6.0) GeV 2 /c 4 is 1.03$^{+0.28}_{-0.24}$ ± 0.01. The first and second uncertainties listed are statistical and systematic, respectively. All results for RK are consistent with Standard Model predictions. We also measure CP-averaged isospin asymmetries in the same q 2 bins. The results are consistent with a null asymmetry, with the largest difference of 2.6 standard deviations occurring for the q 2 $\epsilon$ (1.0, 6.0) GeV 2 /c 4 bin in the mode with muon final states. The measured differential branching fractions, dB/dq 2 , are consistent with theoretical predictions for charged B decays, while the corresponding values are below the expectations for neutral B decays. We have also searched for lepton-flavor-violating B → Kμ ± e ∓ decays and set 90% confidence-level upper limits on the branching fraction in the range of 10 -8 for B + → K + μ ± e ∓ , and B 0 → K 0 μ ± e ∓ modes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Measurement of properties of B$^0_\mathrm{s}\to\mu^+\mu^-$ decays and search for B$^0\to\mu^+\mu^-$ with the CMS experiment

Results are reported for the $ {\mathrm{B}}_{\mathrm{s}}^0 $→ μ$^{+}$μ$^{−}$ branching fraction and effective lifetime and from a search for the decay B$^{0}$→ μ$^{+}$μ$^{−}$. The analysis uses a data sample of proton-proton collisions accumulated by the CMS experiment in 2011, 2012, and 2016, with center-of-mass energies (integrated luminosities) of 7 TeV (5 fb$^{−1}$), 8 TeV (20 fb$^{−1}$), and 13 TeV (36 fb$^{−1}$). The branching fractions are determined by measuring event yields relative to B$^{+}$→ J/ψK$^{+}$ decays (with J/ψ → μ$^{+}$μ$^{−}$), which results in the reduction of many of the systematic uncertainties. The decay $ {\mathrm{B}}_{\mathrm{s}}^0 $→ μ$^{+}$μ$^{−}$ is observed with a significance of 5.6 standard deviations. The branching fraction is measured to be $ \mathrm{\mathcal{B}}\left({\mathrm{B}}_{\mathrm{s}}^0\to {\upmu}^{+}{\upmu}^{-}\right)=\left[2.9\pm 0.7\left(\exp \right)\pm 0.2\left(\mathrm{frag}\right)\right]\times {10}^{-9} $, where the first uncertainty combines the experimental statistical and systematic contributions, and the second is due to the uncertainty in the ratio of the $ {\mathrm{B}}_{\mathrm{s}}^0 $ and the B$^{+}$ fragmentation functions. No significant excess is observed for the decay B$^{0}$→ μ$^{+}$μ$^{−}$, and an upper limit of ℬ(B$^{0}$ → μ$^{+}$μ$^{−}$) < 3.6 × 10$^{−10}$ is obtained at 95% confidence level. The $ {\mathrm{B}}_{\mathrm{s}}^0 $→ μ+μ− effective lifetime is measured to be $ {\tau}_{\upmu^{+}{\upmu}^{-}}={1.70}_{-0.44}^{+0.61} $ ps. These results are consistent with standard model predictions.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Electromagnetic signals of inelastic dark matter scattering

Light dark sectors in thermal contact with the Standard Model can naturally produce the observed relic dark matter abundance and are the targets of a broad experimental search program. A key light dark sector model is the pseudo-Dirac fermion with a dark photon mediator. The dynamics of the fermionic excited states are often neglected. We consider scenarios in which a nontrivial abundance of excited states is produced and their subsequent de-excitation yields interesting electromagnetic signals in direct detection experiments. We study three mechanisms of populating the excited state: a primordial excited fraction, a component up-scattered in the Sun, and a component up-scattered in the Earth. We find that the fractional abundance of primordial excited states is generically depleted to exponentially small fractions in the early universe. Nonetheless, this abundance can produce observable signals in current dark matter searches. MeV-scale dark matter with thermal cross sections and higher can be probed by down-scattering following excitation in the Sun. Up-scatters of GeV-scale dark matter in the Earth can give rise to signals in current and upcoming terrestrial experiments and X-ray observations. We comment on the possible relevance of these scenarios to the recent excess in XENON1T.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Combination of the W boson polarization measurements in top quark decays using ATLAS and CMS data at $\sqrt{s} =$ 8 TeV

The combination of measurements of the W boson polarization in top quark decays performed by the ATLAS and CMS collaborations is presented. The measurements are based on proton-proton collision data produced at the LHC at a centre-of-mass energy of 8 TeV, and corresponding to an integrated luminosity of about 20 fb$^{−1}$ for each experiment. The measurements used events containing one lepton and having different jet multiplicities in the final state. The results are quoted as fractions of W bosons with longitudinal (F$_{0}$), left-handed (F$_{L}$), or right-handed (F$_{R}$) polarizations. The resulting combined measurements of the polarization fractions are F$_{0}$ = 0.693 ± 0.014 and F$_{L}$ = 0.315 ± 0.011. The fraction F$_{R}$ is calculated from the unitarity constraint to be F$_{R}$ = −0.008 ± 0.007. These results are in agreement with the standard model predictions at next-to-next-to-leading order in perturbative quantum chromodynamics and represent an improvement in precision of 25 (29)% for F$_{0}$ (F$_{L}$) with respect to the most precise single measurement. A limit on anomalous right-handed vector (V$_{R}$), and left- and right-handed tensor (g$_{L}$, g$_{R}$) tWb couplings is set while fixing all others to their standard model values. The allowed regions are [−0.11, 0.16] for V$_{R}$, [−0.08, 0.05] for g$_{L}$, and [−0.04, 0.02] for g$_{R}$, at 95% confidence level. Limits on the corresponding Wilson coefficients are also derived.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Winding θ and destructive interference of instantons

While the θ dependence of field theories is 2π periodic, the ground-state wavefunctions at θ and θ + 2π often belong to different classes of symmetry-protected topological states. When this is the case, a continuous change of the θ parameter can introduce an interface that supports a nontrivial field theory localized on the wall. We consider the 2d CP N-1 sigma model as an example and construct a weak-coupling setup of this interface theory by considering the small S1 compactification with nonzero winding θ parameter and a suitable symmetry-twisted boundary condition. This system has N classical vacua connected by fractional instantons, but the anomaly constraint tells us that the fractional-instanton amplitudes should vanish completely to have N-fold degeneracy at the quantum level. We show how this happens in this purely bosonic system, uncovering that the integration over the zero modes annihilates the fractional instanton amplitudes, in sharp contrast to what happens when the θ angle is constant. Moreover, we provide another explanation of this selection rule by showing that the N perturbative vacua acquire different charges under the global symmetry with the activation of the winding θ angle. We also demonstrate a similar destructive interference between instanton effects in the CP N-1 quantum mechanics with the Berry phase.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Observation of the semileptonic decays $$ {\textrm{D}}^0\to {\textrm{K}}_{\textrm{S}}^0{\pi}^{-}{\pi}^0{\textrm{e}}^{+}{\nu}_{\textrm{e}} $$ and $$ {\textrm{D}}^{+}\to {\textrm{K}}_{\textrm{S}}^0{\pi}^{+}{\pi}^{-}{\textrm{e}}^{+}{\nu}_{\textrm{e}} $$

Abstract By analyzinge + e − annihilation data corresponding to an integrated luminosity of 2.93 fb −1 collected at a center-of-mass energy of 3.773 GeV with the BESIII detector, the first observation of the semileptonic decays$$ {D}^0\to {K}_S^0{\pi}^{-}{\pi}^0{e}^{+}{\nu}_e $$ D 0 → K S 0 π − π 0 e + ν e and$$ {D}^{+}\to {K}_S^0{\pi}^{+}{\pi}^{-}{e}^{+}{\nu}_e $$ D + → K S 0 π + π − e + ν e is reported. In the hypothesis that all events correspond toK 1 (1270) decays, the branching fractions are measured to be$$ \mathcal{B}\left({D}^0\to {K}_1{(1270)}^{-}\left(\to {K}_S^0{\pi}^{-}{\pi}^0\right){e}^{+}{\nu}_e\right)=\left({1.69}_{-0.46}^{+0.53}\pm 0.15\right)\times {10}^{-4} $$ B D 0 → K 1 1270 − → K S 0 π − π 0 e + ν e = 1.69 − 0.46 + 0.53 ± 0.15 × 10 − 4 and$$ \mathcal{B}\left({D}^{+}\to {\overline{K}}_1{(1270)}^0\left(\to {K}_S^0{\pi}^{+}{\pi}^{-}\right){e}^{+}{\nu}^e\right)=\left({1.47}_{-0.40}^{+0.45}\pm 0.14\right)\times {10}^{-4} $$ B D + → K ¯ 1 1270 0 → K S 0 π + π − e + ν e = 1.47 − 0.40 + 0.45 ± 0.14 × 10 − 4 with statistical significance of 5.4σand 5.6σ, respectively. When combined with measurements of theK 1 (1270)→ K + π − πdecays, the absolute branching fractions are determined to be$$ \mathcal{B}\left({D}^0\to {K}_1{(1270)}^{-}{e}^{+}{\nu}_e\right)=\left({1.08}_{-0.13-0.10}^{+0.14+0.08}\pm 0.21\right)\times {10}^{-3} $$ B D 0 → K 1 1270 − e + ν e = 1.08 − 0.13 − 0.10 + 0.14 + 0.08 ± 0.21 × 10 − 3 and$$ \mathcal{B}\left({D}^{+}\to {\overline{K}}_1{(1270)}^0{e}^{+}{\nu}_e\right)=\left({1.70}_{-0.23}^{+0.26}\pm 0.13\pm 0.35\right)\times {10}^{-3} $$ B D + → K ¯ 1 1270 0 e + ν e = 1.70 − 0.23 + 0.26 ± 0.13 ± 0.35 × 10 − 3 . The first and second uncertainties are statistical and systematic, respectively, and the third uncertainties originate from the assumed branching fractions of theK 1 (1270)→ Kππdecays.

Physics↗
DOE OSTI2021

Strongly coupled $\mathrm{QFT}$ dynamics via $\mathrm{TQFT}$ coupling

We consider a class of quantum field theories and quantum mechanics, which we couple to $\mathbb{Z}$ N topological QFTs, in order to classify non-perturbative effects in the original theory. The $\mathbb{Z}$ N TQFT structure arises naturally from turning on a classical background field for a $\mathbb{Z}$ N 0- or 1-form global symmetry. In SU(N) Yang-Mills theory coupled to $\mathbb{Z}$ N TQFT, the non-perturbative expansion parameter is exp[-S I /N] = exp[-8π 2 /g 2 N] both in the semi-classical weak coupling domain and strong coupling domain, corresponding to a fractional topological charge configurations. To classify the non-perturbative effects in original SU(N) theory, we must use PSU(N) bundle and lift configurations (critical points at infinity) for which there is no obstruction back to SU(N). These provide a refinement of instanton sums: integer topological charge, but crucially fractional action configurations contribute, providing a TQFT protected generalization of resurgent semi-classical expansion to strong coupling. Monopole-instantons (or fractional instantons) on T 3 x $S^1_L$ can be interpreted as tunneling events in the ’t Hooft flux background in the PSU(N) bundle. The construction provides a new perspective to the strong coupling regime of QFTs and resolves a number of old standing issues, especially, fixes the conflicts between the large-N and instanton analysis. We derive the mass gap at θ = 0 and gaplessness at θ = π in $\mathbb{CP}$ 1 model, and mass gap for arbitrary θ in $\mathbb{CP}$ N-1 , N ≥ 3 on $\mathbb{R}$ 2 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Kinetic control of phase evolution and defect-mediated recombination in AACVD-grown copper antimony sulphide thin films

Copper antimony sulphide (CAS) is a multinary chalcogenide semiconductor in which small deviations from stoichiometry can drive phase competition and strong defect-mediated modulation of optoelectronic properties. However, the systematic roles of copper precursor fraction and deposition time in governing phase evolution, off-stoichiometry, and recombination dynamics in aerosol-assisted chemical vapour deposition (AACVD)-grown undoped CAS thin films remain insufficiently understood. In this work, undoped CAS thin films were deposited by AACVD using Cu(dedtc)2 and Sb(dedtc)3 single-source precursors at 550 °C and a carrier gas flow rate of 150 sccm, while the Cu(dedtc)2 mole fraction (x = 0.15 – 0.55) and deposition time (1 – 2 hours) were systematically varied to probe how growth kinetics influence phase composition, microstructure, and defect-mediated optical properties without post-deposition annealing or extrinsic doping. Increasing copper precursor content drives phase evolution toward tetrahedrite-dominant CAS films at intermediate Cu(dedtc)2 mole fractions, with the film deposited at x = 0.35 exhibiting the strongest tetrahedrite character within the parameter space examined. The films are also copper-rich, antimony-poor, and sulphur-deficient, consistent with off-stoichiometric growth and intrinsic defect formation, plausibly including copper interstitials, Cu-on-Sb antisites, and sulphur vacancies. These growth-dependent compositional deviations are accompanied by tunable indirect optical bandgaps of approximately 1.60 – 2.18 eV and weak visible photoluminescence governed by defect-mediated recombination. Time-resolved photoluminescence reveals bi-exponential decay behaviour with lifetimes of approximately 0.1 – 3.6 ns, with emission dominated by slower donor–acceptor pair recombination and a smaller contribution from faster trap-assisted pathways. Collectively, these results establish an explicit kinetic process–structure–defect–property relationship for AACVD-grown CAS thin films and provide a growth–structure–property framework relevant to future optimization of CAS-based optoelectronic and energy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stable and radioactive carbon isotope partitioning in soils and saturated systems: a reactive transport modeling benchmark study

This benchmark provides the first rigorous test of a three-isotope system [ 12 C, 13 C, and 14 C] subject to the combined effects of radioactive decay and both stable equilibrium and kinetic fractionation. We present a series of problems building in complexity based on the cycling of carbon in both organic and inorganic forms. The key components implement (1) equilibrium fractionation between multiple coexisting carbon species as a function of pH, (2) radioactive decay of radiocarbon with associated mass-dependent speciation demonstrating appropriate correction of the Δ 14 C value in agreement with reporting convention, and (3) kinetic stable isotope fractionation due to the oxidation of organic carbon to inorganic forms as a function of time and space in an open, through-flowing system. Participating RTM codes are CrunchTope, ToughReact, Hytec, and The Geochemist’s Workbench. Across all problem levels, simulation results from all RTMs demonstrate good agreement.

58 GEOSCIENCES↗
DOE OSTI2022

Role of α → ε → α phase transformation on the spall behavior of iron at atomic scales

Shock compression of iron microstructures above a threshold stress results in a α (BCC) → ε (HCP) transformation and the propagation of the release wave brings the metal back to the α phase following the ε→α transformation. Predicting failure behavior under shock loading conditions (spallation) relies on understanding the evolution of defects in the microstructure as it undergoes the α→ε→α phase transformation. This study uses molecular dynamics (MD) simulations to investigate the role of defect evolution during α→ε→α phase transformation on the spall strength values of single-crystal (sc) Fe microstructures. The MD simulations aim to characterize the ε phase fraction formed during shock compression and the defects during shock release for variations in loading orientations and shock stresses. The simulations are carried out for loading along the [100], [110], [111], and [112] orientations and for impact velocities ranging from 600 m/s to 1 km/s. The ε phase fractions during compression and defects (dislocations, twins) characterized during spall failure show an orientation dependence that affects the spall strength values. Here, the lowest value for spall strength is observed for the <110> loading orientation that shows a high density of twinning at the spall plane, whereas the highest value is observed for the <100> orientation and is associated with a α (BCC) → γ (FCC) transformation at the spall plane. The correlations of the spall strength values with the strain rates and with the ε phase fractions are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Measurements of the emanation of 37Ar and 39Ar from irradiated rocks and powders

The emanation fraction of radionuclides has been highlighted as a known source of uncertainty in the estimation of radionuclide source signatures from underground nuclear tests and other nuclear activities, particularly in the case of activation products. A system was developed at Pacific Northwest National Laboratory to quantify the emanation fraction of argon from samples ranging in particle size from powder to small rocks. Seven materials, two powders and five rock types, were neutron irradiated and the emanation fraction of 37Ar was measured. Additional measurements were made of the 39Ar emanation for four of these materials.

Johnson, Christine M.↗
DOE OSTI2020

Proximity-based proteomics reveals the thylakoid lumen proteome in the cyanobacterium Synechococcus sp. PCC 7002

Abstract Cyanobacteria possess unique intracellular organization. Many proteomic studies have examined different features of cyanobacteria to learn about the intracellular structures and their respective functions. While these studies have made great progress in understanding cyanobacterial physiology, the conventional fractionation methods used to purify cellular structures have limitations; specifically, certain regions of cells cannot be purified with existing fractionation methods. Proximity-based proteomics techniques were developed to overcome the limitations of biochemical fractionation for proteomics. Proximity-based proteomics relies on spatiotemporal protein labeling followed by mass spectrometry of the labeled proteins to determine the proteome of the region of interest. We performed proximity-based proteomics in the cyanobacterium Synechococcus sp. PCC 7002 with the APEX2 enzyme, an engineered ascorbate peroxidase. We determined the proteome of the thylakoid lumen, a region of the cell that has remained challenging to study with existing methods, using a translational fusion between APEX2 and PsbU, a lumenal subunit of photosystem II. Our results demonstrate the power of APEX2 as a tool to study the cell biology of intracellular features and processes, including photosystem II assembly in cyanobacteria, with enhanced spatiotemporal resolution.

59 BASIC BIOLOGICAL SCIENCES↗