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At least 829 records · Page 46

Structural evidence for intermediates during O 2 formation in photosystem II

In natural photosynthesis, the light-driven splitting of water into electrons, protons and molecular oxygen forms the first step of the solar-to-chemical energy conversion process. The reaction takes place in photosystem II, where the Mn 4 CaO 5 cluster first stores four oxidizing equivalents, the S 0 to S 4 intermediate states in the Kok cycle, sequentially generated by photochemical charge separations in the reaction center and then catalyzes the O–O bond formation chemistry. Here, we report room temperature snapshots by serial femtosecond X-ray crystallography to provide structural insights into the final reaction step of Kok’s photosynthetic water oxidation cycle, the S 3 →[S 4 ]→S 0 transition where O 2 is formed and Kok’s water oxidation clock is reset. Our data reveal a complex sequence of events, which occur over micro- to milliseconds, comprising changes at the Mn 4 CaO 5 cluster, its ligands and water pathways as well as controlled proton release through the hydrogen-bonding network of the Cl1 channel. Importantly, the extra O atom O x , which was introduced as a bridging ligand between Ca and Mn1 during the S 2 →S 3 transition disappears or relocates in parallel with Y z reduction starting at approximately 700 μs after the third flash. The onset of O 2 evolution, as indicated by the shortening of the Mn1–Mn4 distance, occurs at around 1,200 μs, signifying the presence of a reduced intermediate, possibly a bound peroxide.

59 BASIC BIOLOGICAL SCIENCES↗

Poling thin-film x-cut lithium niobate for quasi-phase matching with sub-micrometer periodicity

Quasi-phase-matched grating structures in lithium niobate waveguides with sub-micrometer periodicities will benefit the development of short-wavelength nonlinear optical devices. Here, we report on the reproducible formation of periodically poled domains in x-cut single-crystalline thin-film lithium niobate with periodicities as short as 600 nm. Shaped single-voltage poling pulses were applied to electrode structures that were fabricated by a combination of electron-beam and direct-writing laser lithography. Evidence of successful poling with good quality was obtained through second-harmonic microscopy and piezoresponse force microscopy imaging. For the sub-micrometer period structures, we observed patterns with a double periodicity formed by domain interactions and features with sizes <200 nm.

Zhao, Jie (ORCID:0000000306230125)↗

Behavior of thermally quenched topological defects in quasicrystal artificial spin ices

We report that understanding the formation of topological defects in connected magnetic nanowires such as in artificial spin ices (ASIs) is critical to controlling their behavior. Moreover, emergent frustration behavior of these defects can be expected due to complex underlying lattice geometry of the ASIs. We have explored in situ thermalization and quenching of quasicrystalline ASIs, which exhibit additional frustration due to aperiodicity from near the Curie temperature, and we observe the formation of two sets of topological vortex defects: within the magnetic bars and within the vertices at which the bars meet. By varying the laser fluence, we show that the number of defects in the vertices varies as the quenching rate changes following a power law relation, which we interpret as being related to the ferromagnetic-to-paramagnetic phase transition. Conversely, the defects formed within the bars are metastable states related to the spontaneous magnetization reversal of the magnetic bars and are therefore strongly dependent on underlying lattice geometry. These results provide insight into the emergence and control of topological defects in confined frustrated magnetic systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Scaling, rotation, and channeling behavior of helical and skyrmion spin textures in thin films of Te-doped Cu 2 OSeO 3

Topologically nontrivial spin textures such as vortices, skyrmions, and monopoles are promising candidates as information carriers for future quantum information science. Their controlled manipulation including creation and annihilation remains an important challenge toward practical applications and further exploration of their emergent phenomena. Here, we report controlled evolution of the helical and skyrmion phases in thin films of multiferroic Te-doped Cu 2 OSeO 3 as a function of material thickness, dopant, temperature, and magnetic field using in situ Lorentz phase microscopy. We report two previously unknown phenomena in chiral spin textures in multiferroic Cu 2 OSeO 3 : anisotropic scaling and channeling with a fixed-Q state. The skyrmion channeling effectively suppresses the recently reported second skyrmion phase formation at low temperature. Our study provides a viable way toward controlled manipulation of skyrmion lattices, envisaging chirality-controlled skyrmion flow circuits and enabling precise measurement of emergent electromagnetic induction and topological Hall effects in skyrmion lattices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A Method for Extrapolating CMM Data

This report provides a method for evaluating coordinate measuring machine (CMM) data and extrapolating the data to estimate the dimensions of a cylindrical component beyond the sampled measurements. The theoretical basis is provided, and a calculational method is presented. The report also provides detailed, formatted, printed, and plotted representations.

36 MATERIALS SCIENCE↗

2021 Site Environmental Report (SER) for the Ernest Orlando Lawrence Berkeley National Laboratory (LBNL)

Lawrence Berkeley National Laboratory (LBNL, Berkeley Lab) is a multiprogram scientific facility operated by the University of California (UC) for the U.S. Department of Energy (DOE). Berkeley Lab’s research is focused on the physical, biological, environmental, and computational sciences, with the objective of delivering scientific knowledge and discoveries pertinent to DOE’s mission. This annual report describes environmental protection activities and potential impacts resulting from operations conducted in calendar year 2021, unless otherwise indicated. The format and content of this report satisfy the requirements of both DOE Order 231.1B, Administrative Change 1 (Environment, Safety, and Health Reporting) (DOE, 2012) and the operating contract between UC and DOE (DOE Contract No. DE-AC02-05CH11231, also known as Contract 31).

54 ENVIRONMENTAL SCIENCES↗

E-Area Corrosion Coupon Recovery and Evaluation

The recovery and evaluation of selected E-Area corrosion coupons were completed in FY2022. This is the second time coupons have been recovered from the E-Area Corrosion Monitoring Test Site, with the first recovery effort occurring in FY2017. Coupons recovered during the FY2022 extraction have now been exposed to the subsurface for approximately 17 years. This effort is part of an ongoing study where a subset of coupons is recovered at each determined time interval over a 100-year period. Results from this effort, as well as updates to the schedule for future recovery and evaluation efforts, are included in this report revision. This report is issued as a revision to the 2018 report and maintains similar formatting.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Linear Correlations of Gibbs Free Energy of REE Phosphates (Monazite, Xenotime, and Rhabdophane) and Internally Consistent Binary Mixing Properties

Rare Earth Elements (REE) phosphates (monazite, xenotime, and rhabdophane) are critical REE-bearing minerals typically formed in hydrothermal and magmatic ore deposits. The thermodynamic properties of those REE minerals are crucial to understanding the solubility, speciation, and transport of REE complexes. However, the standard-state Gibbs free energy of formation (∆G°f) values reported for these minerals in the literature vary by up to 25 kJ mol−1. Here, we present linear free energy relationships that allow the evaluation and estimation of the ∆G°f values at 25 °C and 1 bar for the three minerals from the ionic radius (rREE3+) and the non-solvation Gibbs free energy contribution to the REE3+ aqua ion (∆G°n, REE3+): ∆G°f,monazite − 399.71 rREE3+ = 1.0059 ∆G°n,REE3+ − 2522.51; ∆G°f,xenotime − 344.08 rREE3+ = 0.9909 ∆G°n,REE3+ − 2451.53; and ∆G°f,rhabdophane − 416.17 rREE3+ = 1.0067 ∆G°n, REE3+ − 2688.86. Moreover, based on the new dataset derived for REE end-members, we re-fitted the binary Margules parameter (W) from previous theoretical calculations into linear correlations: W + 0.00204 ∆G°’n,monazite = 39.3549 ∆V + 0.0641; W + 0.00255 ∆G°’n,xenotime = 25.4885 ∆V − 0.0062. The internally consistent thermodynamic properties of these REE phosphates are incorporated into the computer program Supcrtbl, which is available online at Zhu’s research website.

Pan, Ruiguang (ORCID:0000000324896545)↗

Probing UV-sensitive Pathways for CN and HCN Formation in Protoplanetary Disks with the Hubble Space Telescope

The UV radiation field is a critical regulator of gas-phase chemistry in surface layers of disks around young stars. In an effort to understand the relationship between photocatalyzing UV radiation fields and gas emission observed at infrared and submillimeter wavelengths, we present an analysis of new and archival Hubble Space Telescope (HST), Spitzer, ALMA, IRAM, and SMA data for five targets in the Lupus cloud complex and 14 systems in Taurus-Auriga. The HST spectra were used to measure Lyα and far-UV (FUV) continuum fluxes reaching the disk surface, which are responsible for dissociating relevant molecular species (e.g., HCN, N{sub 2}). Semi-forbidden C ii] λ2325 and UV-fluorescent H{sub 2} emission were also measured to constrain inner disk populations of C{sup +} and vibrationally excited H{sub 2}. We find a significant positive correlation between 14 μm HCN emission and fluxes from the FUV continuum and C ii] λ2325, consistent with model predictions requiring N{sub 2} photodissociation and carbon ionization to trigger the main CN/HCN formation pathways. We also report significant negative correlations between submillimeter CN emission and both C ii] and FUV continuum fluxes, implying that CN is also more readily dissociated in disks with stronger FUV irradiation. No clear relationships are detected between either CN or HCN and Lyα or UV-H{sub 2} emission. This is attributed to the spatial stratification of the various molecular species, which span several vertical layers and radii across the inner and outer disk. We expect that future observations with the James Webb Space Telescope will build on this work by enabling more sensitive IR surveys than were possible with Spitzer.

79 ASTRONOMY AND ASTROPHYSICS↗

Noise characteristics of the Skylab S-193 altimeter altitude measurements

The statistical characteristics of the SKYLAB S-193 altimeter altitude noise are considered. These results are reported in a concise format for use and analysis by the scientific community. In most instances the results have been grouped according to satellite pointing so that the effects of pointing on the statistical characteristics can be readily seen. The altimeter measurements and the processing techniques are described. The mathematical descriptions of the computer programs used for these results are included.

Hatch, W. E.↗

The detection of urban expansion from Landsat imagery

Two methodologies for detecting and mapping land cover changes in and around growing urban regions are being studied at Jet Propulsion Laboratory. Both approaches, primarily based on digital image processing techniques, have been developed to supplement data stored in an Image Based Information System (IBIS). The structure of this information system enables the depiction of land cover changes in image format concurrently with statistical reports in tabular form. To date the expansion of two urban areas, Houston, Texas and Orlando, Florida, has been monitored.

Friedman, S. Z.↗

Effect of fuel nitrogen and hydrogen content on emissions in hydrocarbon combustion

How the emissions of nitrogen oxides and carbon monoxide are affected by: (1) the decreased hydrogen content and (2) the increased organic nitrogen content of coal derived fuels is investigated. Previous CRT experimental work in a two stage flame tube has shown the effectiveness of rich lean two stage combustion in reducing fuel nitrogen conversion to nitrogen oxides. Previous theoretical work gave preliminary indications that emissions trends from the flame tube experiment could be predicted by a two stage, well stirred reactor combustor model using a detailed chemical mechanism for propane oxidation and nitrogen oxide formation. Additional computations are reported and comparisons with experimental results for two additional fuels and a wide range of operating conditions are given. Fuels used in the modeling are pure propane, a propane toluene mixture and pure toluene. These give hydrogen contents 18, 11 and 9 percent by weight, respectively. Fuel bound nitrogen contents of 0.5 and 1.0 percent were used. Results are presented for oxides of nitrogen and also carbon monoxide concentrations as a function of primary equivalence ratio, hydrogen content and fuel bound nitrogen content.

Bittker, D. A.↗

Life Cycle Cost Analysis of Shuttle-Derived Launch Vehicles, Volume 1

The design, performance, and programmatic definition of shuttle derived launch vehicles (SDLV) established by two different contractors were assessed and the relative life cycle costs of space transportation systems using the shuttle alone were compared with costs for a mix of shuttles and SDLV's. The ground rules and assumptions used in the evaluation are summarized and the work breakdown structure is included. Approaches used in deriving SDLV costs, including calibration factors and historical data are described. Both SDLV cost estimates and SDLV/STS cost comparisons are summarized. Standard formats are used to report comprehensive SDLV life cycle estimates. Hardware cost estimates (below subsystem level) obtained using the RCA PRICE 84 cost model are included along with other supporting data.

Source record↗

A new class of radio pulsars

A new class of spun-up radio pulsars with short periods, long apparent ages, and pulsed optical, X-ray, and gamma ray fluxes significantly below those expected for canonical pulsars with similar periods is reported. Scenarios for the formation of such a pulsar, in which a neutron star accretes from a Keplerian accretion disk initially fed by a companion, are discussed. Because of their long spin-down lifetimes, such pulsars would probably be observable if their birth rate exceeded even 10 to the -4th that of the canonical ones. It is proposed that the recently discovered millisecond pulsar 4C21.53 belongs to this class, together with the binaries PSRs 1913+16, 0820+02, and 0655+64, as well as possibly several isolated pulsars such as PSRs 1952+29 and 1804-08.

Alpar, M. A.↗

Microstructure Of MnBi/Bi Eutectic Alloy

Collection of three reports describes studies of directional solidification of MnBi/Bi eutectic alloy. Two of the reports, "Influence of Convection on Lamellar Spacing of Eutectics" and "Influence of Convection on Eutectic Microstructure," establish theoretical foundation for remaining document. Reports seek to quantify effect of convection on concentration field of growing lamellar eutectic. Remaining report, "Study of Eutectic Formation," begins by continuing theoretical developments. New technique under development by one of the authors helps to reveal three-dimensional microstructures of alloys.

Wilcox, William R.↗

Collection, processing, and reporting of damage tolerant design data for non-aerospace structural materials

This report describes the organization, format and content of the NASA Johnson damage tolerant database which was created to store damage tolerant property data for non aerospace structural materials. The database is designed to store fracture toughness data (K(sub IC), K(sub c), J(sub IC) and CTOD(sub IC)), resistance curve data (K(sub R) VS. delta a (sub eff) and JR VS. delta a (sub eff)), as well as subcritical crack growth data (a vs. N and da/dN vs. delta K). The database contains complementary material property data for both stainless and alloy steels, as well as for aluminum, nickel, and titanium alloys which were not incorporated into the Damage Tolerant Design Handbook database.

Huber, P. D.↗

The Role of Computational Fluid Dynamics at Marshall Space Flight Center

The Marshall Space Flight Center (MSFC) is the Center of Excellence for Space Propulsion Technology within NASA. One of MSFC's goals is to lower the cost of access to space. MSFC's Fluid Dynamics Division, a part of the Structures and Dynamics Lab, assists in accomplishing this goal. This division is divided into two branches: experimental and analytical, whose work is complimentary and integrated. In the analysis branch, the emphasis is to apply, rather than develop computational fluid dynamics (CFD), to reduce the cost of design and development of: (1) pump and turbine feedlines and feed manifolds; (2) all primary and secondary flow paths in pumps; (3) all primary and secondary flow paths in turbines; (4) combustion chambers; (5) rocket engine nozzles and plumes; and (6) launch vehicles ascent. The broad range of applications imposes unique constraints on the software. The use of CFD in evaluating rocket engine hardware, specifically, is of value due to several reasons: (1) Rocket engine hardware is extremely expensive to build and test; (2) high engineering and development cost is due to limited production; (3) the cost of one engine test is greater than the average yearly hardware and software cost; (4) CFD represents a relatively small investment relative to the impact it has on the engine development; and (5) computing costs are continuously decreasing. In terms of accuracy the predictable error is more useful than the inconsistent accuracy. The achievable accuracy varies from application to application. The lack of accuracy is often caused by improper analyses: such as improperly applied or located boundary conditions, or attempting steady analysis of unsteady flows. This report is in viewgraph format.

Garcia, Roberto↗