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At least 523 records · Page 29

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NASA NTRS1999

A Neural Network Aero Design System for Advanced Turbo-Engines

An inverse design method calculates the blade shape that produces a prescribed input pressure distribution. By controlling this input pressure distribution the aerodynamic design objectives can easily be met. Because of the intrinsic relationship between pressure distribution and airfoil physical properties, a Neural Network can be trained to choose the optimal pressure distribution that would meet a set of physical requirements. Neural network systems have been attempted in the context of direct design methods. From properties ascribed to a set of blades the neural network is trained to infer the properties of an 'interpolated' blade shape. The problem is that, especially in transonic regimes where we deal with intrinsically non linear and ill posed problems, small perturbations of the blade shape can produce very large variations of the flow parameters. It is very unlikely that, under these circumstances, a neural network will be able to find the proper solution. The unique situation in the present method is that the neural network can be trained to extract the required input pressure distribution from a database of pressure distributions while the inverse method will still compute the exact blade shape that corresponds to this 'interpolated' input pressure distribution. In other words, the interpolation process is transferred to a smoother problem, namely, finding what pressure distribution would produce the required flow conditions and, once this is done, the inverse method will compute the exact solution for this problem. The use of neural network is, in this context, highly related to the use of proper optimization techniques. The optimization is used essentially as an automation procedure to force the input pressure distributions to achieve the required aero and structural design parameters. A multilayered feed forward network with back-propagation is used to train the system for pattern association and classification.

Sanz, Jose M.↗

NASA NTRS1993

Flow of Supercritical Hydrogen in a Uniformly Heated Circular Tube

Turbulent flow of supercritical hydrogen through a uniformly heated circular tube has been investigated using numerical methods, for the range of 4 x 10(exp 5) less than Re less than 3 x 10(exp 6), 5 less than or equal to q(sub W) less than or equal to 10 MW/sq m, 30 less than or equal to T(sub in) less than or equal to 90 K, and 5 less than or equal to P(sub in) less than or equal to 15 MPa. The purpose is to validate a turbulence model and calculation method for the design of active cooling systems of hydrogen-fueled hypersonic aircraft, where the hydrogen fuel a used as coolant. The PHOENICS software package was used for the computations, which required special provision for evaluation of the thermophysical properties of the supercritical hydrogen, and a low Reynolds number form of the k-epsilon turbulence model. Pressure drop and heat transfer data were compared with experiment and existing correlations and good agreement was demonstrated. For the pressure range considered here a "thermal spike" was observed and shown to be due to the secondary peak in specific heat, rather than the primary peak.

Youn, B.↗

NASA NTRS1986

An explicit finite-volume time-marching procedure for turbulent flow calculations

A method was developed which calculates two-dimensional, transonic, viscous flow in ducts. The finite-volume, time-marching formulation is used to obtain steady flow solutions of the Reynolds-averaged form of the Navier-Stokes equations. The entire calculation is performed in the physical domain. Control volumes are chosen so that smoothing of flow properties, typically required for stability, is not required. Different time steps are used in the different governing equations. A new pressure interpolation scheme is introduced which improves the shock capturing ability of the method. A multi-volume method for pressure changes in the boundary layer allows calculations which use very long and thin control volumes (length/height - 1000). The method is compared with two test cases. Essentially incompressible turbulent boundary layer flow in an adverse pressure gradient is calculated and the computed distributions of mean velocity and shear are in good agreement with the measurements. Transonic viscous flow in a converging diverging nozzle is calculated; the Mach number upstream of the shock is approximately 1.25. The agreement between the calculated and measured shock strength and total pressure losses is good.

Nicholson, Stephen↗

NASA NTRS1987

An explicit finite-volume time-marching procedure for turbulent flow calculations

Nicholson, Stephen↗

NASA NTRS1976

The evolution of rotating stars. 1: Method and exploratory calculations for a 7 solar mass star

A method was developed which allows us to study the evolution of rotating stars beyond the main sequence stage. Four different cases of redistribution of angular momentum in an evolving star are considered. Evolutionary sequences for a 7 solar mass star, rotating according to these different cases, were computed from the ZAMS to the double shell source stage. Each sequence was begun with a (typical) equatorial velocity of 210 km/sec. On the main sequence, the effects of rotation are of minor importance. As the core contracts during later stages, important effects arise in all physically plausible cases. The outer regions of the cores approach critical velocities and develop unstable angular velocity distributions. The effects of these instabilities should significantly alter the subsequent evolution.

Endal, A. S.↗

NASA NTRS1987

Boundary layer simulator (BLIMPJ) improvement

Improvements were made to advance the current Boundary Layer Integral Matrix Procedure - Version J (BLIMPJ) containing previously modeled simplified calculation methods accounting for surface roughness, relaminarization, and thick boundary layer effects. These improvements have potential applications in the design of the future Orbit Transfer Vehicles (OTV) engines. The coded wall roughness module was validated successfully against measured data from the LeRC 60-15 degree half-angle conical nozzle. The relaminarization model was modified to include wall cooling and roughness based on a set of test data from the same nozzle. The model was compared against typical data sets for validation in different flow regimes. The thrust loss calculation for thick boundary layer effects was computerized where the iterations between TDK and BLIMPJ proceeded automatically until convergence was achieved. An example is given for a typical OTV nozzle with an area ratio 1293.

Praharaj, S. C.↗

DOE OSTI2023

SCOMAP-XD : atomistic deuterium contrast matching for small-angle neutron scattering in biology

The contrast-variation method in small-angle neutron scattering (SANS) is a uniquely powerful technique for determining the structure of individual components in biomolecular systems containing regions of different neutron scattering length density ρ . By altering the ρ of the target solute and the solvent through judicious incorporation of deuterium, the scattering of desired solute features can be highlighted. Most contrast-variation methods focus on highlighting specific bulk solute elements, but not on how the scattering at specific scattering vectors q , which are associated with specific structural distances, changes with contrast. Indeed, many systems exhibit q -dependent contrast effects. Here, a method is presented for calculating both bulk contrast-match points and q -dependent contrast using 3D models with explicit solute and solvent atoms and SASSENA , an explicit-atom SANS calculator. The method calculates the bulk contrast-match points within 2.4% solvent D 2 O accuracy for test protein–nucleic acid and lipid nanodisc systems. The method incorporates a general model for the incorporation of deuterium at non-exchangeable sites that was derived by performing mass spectrometry on green fluorescent protein. The method also decomposes the scattering profile into its component parts and identifies structural features that change with contrast. The method is readily applicable to a variety of systems, will expand the understanding of q -dependent contrast matching and will aid in the optimization of next-generation neutron scattering experiments.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

Computation of consistent boundary quantities in finite element thermal-fluid solutions

The consistent boundary quantity method for computing derived quantities from finite element nodal variable solutions is investigated. The method calculates consistent, continuous boundary surface quantities such as heat fluxes, flow velocities, and surface tractions from nodal variables such as temperatures, velocity potentials, and displacements. Consistent and lumped coefficient matrix solutions for such problems are compared. The consistent approach may produce more accurate boundary quantities, but spurious oscillations may be produced in the vicinity of discontinuities. The uncoupled computations of the lumped approach provide greater flexibility in dealing with discontinuities and provide increased computational efficiency. The consistent boundary quantity approach can be applied to solution boundaries other than those with Dirichlet boundary conditions, and provides more accurate results than the customary method of differentiation of interpolation polynomials.

Thornton, E. A.↗

NASA NTRS2000

Water Vapor Transport Over the Tropical Oceans During ENSO as Diagnosed from TRMM and SSM/I Data

Traditionally, large-scale water vapor transport [div Q] has been derived directly from circulation statistics in which transport processes are often depicted by mean and eddy motions. Thus detailed and accurate calculations of moisture transport terms over the globe are required. Notably, the lack of systematically spaced conventional measurements of meteorological variables over oceans has hindered understanding of the distribution and transport of water vapor. This motivates the use of indirect calculation methods in which horizontal divergence of water vapor is balanced by the evaporation minus precipitation, assuming the rate of changes of precipitable water and condensates is small over a sufficiently long time period. In order to obtain the water vapor transport, we need evaporation rate minus precipitation (E-P). Focussing on the differences in water vapor transport between El Nino and La Nina periods and their influences on atmospheric circulations, we study January, February, and March of 1998 and 1999 periods which represent El Nino and La Nina respectively. SSM/I-derived precipitation and evaporation rate from SSM/I wind and total precipitable water, in conjunction with NCEP SST and surface air temperature, are used for the calculation of the transport potential function. For the retrieval of evaporation we use a stability-dependent aerodynamic bulk scheme developed by Chou (1993). It was tested against aircraft covariance fluxes measured during cold air outbreaks over the North Atlantic Ocean. Chou et al. (1997) reported that the SSM/I retrieved latent heat flux over the western Pacific warm pool area were found to be comparable with daily mean fluxes of a ship measurements during TOGA/COARE.

Robertson, Franklin R.↗

DOE OSTI2021

Spectroscopy of states in 136 Ba using the 138 Ba(p,t) reaction

Background: The 136 Ba isotope is the daughter nucleus in 136 Xe $ββ$ decay. It also lies in a shape transitional region of the nuclear chart, making it a suitable candidate to test a variety of nuclear models. Purpose: To obtain spectroscopic information on states in 136 Ba, which will allow a better understanding of its low-lying structure. These data may prove useful to constrain future 136 Xe → 136 Ba neutrinoless $ββ$ decay matrix element calculations. Methods: Here, a 138 Ba(p, t) reaction was used to populate states in 136 Ba up to approximately 4.6 MeV in excitation energy. The tritons were detected using a high-resolution Q3D magnetic spectrograph. A distorted wave Born approximation analysis was performed for the measured triton angular distributions. Results: 102 excited states in 136 Ba were observed, out of which 52 are reported for the first time. Definite spin-parity assignments are made for 26 newly observed states, while previously ambiguous assignments for ten other states are resolved. Together with other available data, the results are used to determine level densities in 136 Ba. These were compared with theory predictions, obtained using shell model calculations with Hamiltonians previously used for 136 Xe neutrinoless $ββ$ decay matrix element evaluations. Conclusions: The shell model predicted level densities agree reasonably well for the two Hamiltonians. However the results for theory and experiment are found to agree only at lower energies, diverging from one another for the higher lying states, with the discrepancy increasing with energy. This is presumably because of lower production cross sections for a majority of the higher-lying predicted states and the experimental limitations in resolving a large number of nearly degenerate states predicted by the theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

GIS-Based Modeling of Contaminated Soil Volumes at Multiple Sites in the Formerly Utilized Sites Remedial Action Program - 20149

The remediation of hazardous, toxic, and radioactive waste (HTRW) sites produces cost-related risks associated with the estimation of contaminated soil or debris volumes. Historical risk-management techniques include cost contingencies to cover volume uncertainties that affect project budgeting and decision-making. The Buffalo District teamed with project partners to lessen volume uncertainty and reduce project risks at multiple HTRW sites managed under the Formerly Utilized Sites Remedial Action Program (FUSRAP). Historical remedial investigations under FUSRAP commonly identified the presence of radiological material in site media, the associated human health risk, and then areas of remediation. To manage remedial execution and reduce risk, pre-design or remediation-phase sampling essentially 'chased' contamination, which was not conducive to efficient predictive budgeting derived from Feasibility Study (FS) cost analyses. The Buffalo District first optimized their approach to better understand volume uncertainty by utilizing the Argonne National Laboratory's Bayesian Approaches for Adaptive Spatial Sampling (BAASS) software [1]. BAASS processed soft data (e.g., gamma walk-over data) and spatial sampling data to estimate the lateral extent of contaminated soil irrespective of depth (i.e., gross contamination extent) and define areas of contaminant uncertainty. The software performed a binary transformation of contaminant concentrations at all sampling points based upon remedial action goals or a sum of ratios approach (i.e., clean, impacted, or range of impacts in soil). The model produced two-dimensional (horizontal) contaminant probability contours and statistical uncertainty in the sampling coverage and resulting contaminant extents. This method was translated vertically by partitioning the sampling data into depth brackets that produced a stacked representation of contaminant extents and uncertainty in the subsurface (i.e., similar to construction lifts). The results commonly led to a better understanding of project uncertainty and the need for sampling strategies that produce high-confidence soil volumes, which control costs. The BAASS-based delineations were eventually replaced by Empirical Bayesian Kriging (EBK) methods available in ArcGIS Spatial or 3D Analysts [2]. The EBK method calculates contaminant probability zones derived from user-controlled semivariograms of the spatial datasets. The resulting probability zones (e.g., 50% or 80% of contaminant probability) represent the two-dimensional surface delineation of the overall horizontal remedial area, similarly to BAASS. However, unlike BAASS, the vertical sampling data within these probability zones became vertical control points to contour a subterranean surface that connects subsurface points to the land-surface delineations of contamination. The resulting representation of horizontal and vertical impacts within an enclosed envelop (volume) of soil included uncertainty distributions that are used to plan uncertainty-reduction sampling. These data-driven and math-based models of three-dimensional sampling results produced well-bounded remedial volumes for project planning and better uncertainty predictions during project budgeting. The EBK method was applied to several FUSRAP sites managed by the Buffalo District and compared to less rigorously modeled sites previously remediated by the District. The comparison of modeled to actual remediated volumes provide a basis for validating the volume-estimation method. This comparison is important to ensure modeled volumes match physical boundaries of site remediation. FUSRAP sites with denser investigative sampling and lesser volume uncertainty proved useful in remedial planning and contracting. The Buffalo District noted that historical sites with sparser sampling arrays had greater disparity between estimated volumes and final remedial volumes. The benefit achieved over the cost of detailed soil sampling appears positive for FUSRAP projects, especially where impacts vary widely and appear unbounded by investigation-phase sampling. The subsequent Empirical Bayesian Kriging of contamination coupled with vertical contouring for soil estimations reduces uncertainty in soil volumes or indicates where sampling is required to reduce uncertainty, which together optimize remedial planning and budgeting. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Chemical Understanding of Actinide Separations

This work provides a broad overview of the separation processes used to isolate actinides and the experimentally and computationally determined chemical characteristics that define those separations. The redox chemistry of the actinides plays a pivotal role in both aqueous and pyrochemical processing separations. The near-overlapping energies of the 6d and 5f orbitals in the light actinides allow for facile adjustment of actinide oxidation states, which is used in many established separation methods. In contrast, the stable, generally 3+ oxidation states of the mid- and heavy actinides can make it difficult to separate them from the similarly lanthanides(III). In aqueous separations, the tendency of the actinides to form anionic and neutral aqueous complexes with a variety of complexants (especially soft donors) is used to achieve high separation factors between chemically similar elements in both solid–liquid separations and liquid–liquid extraction. This selectivity can be further tuned through the use of specialized organic or solid-phase ligands. Pyroprocessing separations utilize the unique redox behavior of the actinides to adjust their distribution between a molten salt electrolyte and either a solid electrode or molten metal phase. Atomic-level insights into the mechanisms underlying actinide separation processes, with the ultimate goal of predicting separation behavior, can be provided by electronic structure and statistical mechanical-based calculation methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Effect of coaxial nozzle wear on catchment efficiency in direct energy deposition built components

Laser based Direct Energy Deposition (DED) systems using metallic powder feedstock are recognized as a promising manufacturing method for their ability to shorten production cycles and create complex part geometries. Components are built by generating a melt pool with a high-power laser beam while material is coaxially injected and left to solidify. An impediment to large scale use of DED lies in poor powder catchment efficiency, the condition in which a portion of injected powder escapes the melt pool resulting in a ratio of decreased printed material mass to mass of supplied feedstock. The wear state of a coaxial nozzle on a DED system within a hybrid manufacturing machine tool has been observed to decrease catchment efficiency over time. Herein this study investigates this effect by adapting flow visualization techniques to an in-situ process monitoring format, the implementation of a Computational Fluid Dynamics (CFD) simulation, and deposition testing. Nozzle geometric defects due to wear are identified and categorized, and the impact of nozzle tip wear, resulting in axial tip reduction, on powder catchment efficiency is proven by multiple calculation methods. A linear correlation between catchment efficiency and powder stream diameter is identified, causing a 15–20% loss in efficiency sustained over incremental nozzle tip reduction up to − 1 mm. These results provide a foundation for further study of wear effects and Zero defect manufacturing solutions for powder fed DED systems.

42 ENGINEERING↗

DOE OSTI2022

A Study on Surface Texture and Wettability of Femtosecond Laser Treated Aluminum Alloys

This research aims to study the effects of femtosecond laser treatment on surface texture and wettability properties. The first portion of this research studies 2024-T3 aluminum alloy concerning surface texture (e.g., roughness), wettability, and surface free energy. SEM images help aid the researchers in detecting minuscule changes in surface texture. Profilometry extracts topographical data from the surface. A contact angle goniometer measures contact angle, which follows the sessile drop method. Owens, Wendt, Rabel, and Kaelble's method calculates the surface free energy in conjunction with the contact angle. Femtosecond laser modification produces relatively uniform surface morphology at the macroscale. When looking at the microscale, surface morphology differs depending on the interplay between material melting and self-assembly, where the surface becomes rougher after laser treatment. Contact angle results show that all but the control sample and sample 7 exhibit hydrophobic behavior, i.e., contact angle >90°, with Sample 1 having the most significant angle of 115°. The effects of laser parameters on surface energy is apparent. More work is needed to establish correlations among these three quantities: contact angle, surface energy, and laser parameters. The second portion of this research studies aluminum alloy 6061 as the subject material with the primary goal of creating a superhydrophobic surface. A central composite design creates the laser surface texturing design of experiments. SEM images help aid the researchers in detecting minuscule changes in surface texture. A 3D optical profiler extracts topographical data from the surface. The sessile drop method incorporates a contact angle goniometer to measure the contact angle. The response surface method builds a second-order polynomial model for the contact angle and obtains optimized parameters to maximize the contact angle. This research shows that laser surface texturing can generate a wide range of surface profiles and roughness values with geometric features ranging from hundreds of μm to submicron. All three laser parameters (pulse energy, pulse duration, repetition rate) affect surface roughness and contact angle to some degree. To quantify the relationship between the contact angle, pulse energy, and pulse repetition rate, a response surface model for Al 6061 is identified and used to find the optimal conditions of E=214 μJ, tp=10 ps, and fp=2427 Hz with a predicted maximum contact angle of 161°. A confirmation experiment produces a contact angle of 168°, in good agreement with the predicted value.

Angell, Dakota↗

DOE OSTI2021

Uranium–Molybdenum Alloy Critical Experiments for the Design of the Health Physics Research Reactor

Clean critical experiments with a uranium-molybdenum alloy (average of 10.1616 wt. % Mo with a density of 17.08 g/cm 3 ) were performed at the Oak Ridge Critical Experiments Facility in 1961 to support the design of the Health Physics Research Reactor (HPRR). The HPRR was similar to the Godiva burst reactor at Los Alamos National Laboratory and was designed to produce 50 microseconds burst of 10 17 fission pulses of radiation for dosimetry measurements, initially in support of the determination of the doses from the nuclear detonations in Japan during World War II. These experiments reported here were used to verify the calculational methods used to design the HPRR. These delayed critical measurements were:1) a solid unreflected and unmoderated 8-in.-dimeter U-Mo cylinder, 2) an unmoderated and unreflected annulus with 8-in.-outside diameter, 2-in.-inside diameter cylinder with a central void, 3) an unmoderated and unreflected annulus with 8-in.-outside diameter, 2-in.-inside diameter cylinder with a central void filled with stainless steel, 4) Same as 3) but with 3-in-thick Plexiglas reflector on top with and without cadmium between the reflector and the U-Mo alloy assembly with steel in the center, and 5) an unmoderated and unreflected annulus which was a modification of the second but with the lower 5 inches of the central hole enlarged to 3.5 in. with various reflector conditions. The reflector conditions were: 1-in.-thick Plexiglas on all outer surfaces-void in the center; 1-in.-thick Plexiglas on all outer surfaces-Plexiglas in the center; 2-in.- thick Plexiglas on radial surface-void in the center; 6-in.-thick Plexiglas on the bottom only-Plexiglas in the center; and 6-in.-thick Plexiglas on bottom, 1-in.-thick on top and on the lower 8.25-cm.-section of the radial surface-void in the center. For some of these reflector conditions 0.025-cm.thick cadmium was located between the reflector and the U-Mo alloy. The uranium contained 93.17 wt. % 235 U. Reflection was a safety concern for this unmoderated and unreflected reactor and reduction of reflection effects was also investigated by insertion of neutron absorber around the U-Mo alloy. The stainless steel 304 contained 18% nickel and 8% chromium and the rest iron. The reflector material was a methacrylate plastic (Plexiglas) containing 5.8 x 10 22 atoms/cm 3 of hydrogen and 3.6 x 10 22 atoms/cm 3 of carbon with a density of 1.20 g/cm 3 . The purpose of this report is to document the experimental information for the measurements performed so that at a later date researchers could perform the required uncertainty and calculational analyses and documentation to use these data for an International Nuclear Criticality Safety Benchmark Program (ICSBEP) or a EURATON Nuclear Energy Agency (NEA) benchmark. The data from the experiments described should be acceptable for use as criticality safety benchmark experiments for the ICSBEP and the NEA nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, the uncertainties in k eff could be as low as ±0.0002 for some configurations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Modeling and analysis of heat emissions from buildings to ambient air

Heat emissions from buildings is a significant source of anthropogenic heat influencing the urban microclimate; however, they are usually oversimplified in urban climate and microclimate modeling. This study developed a bottom-up physics-based approach to calculate heat emissions from buildings to the ambient air and implemented the approach in EnergyPlus. In this work, a simple result verification was conducted by comparing the EnergyPlus simulated results against the spreadsheet calculations. Simulations covering 16 commercial building types, four climates, and two energy efficiency levels were conducted to understand and evaluate the building heat emissions and their temporal patterns as well as three major components: (1) building envelope (convective heat transfer to ambient air), (2) zones (air exfiltration and exhaust air), and (3) HVAC systems (relief air and heat rejection from condensers or cooling towers). The main findings are: (1) heat emissions are usually higher than the site energy use (about 2.5 times), and their dynamics should be considered; (2) building characteristics and their energy systems lead to differences in heat emission contributions from the three components, and their dynamics, for example, in the warehouse models, the envelope component accounts for 90.4%, while it is 12.7% for the large office models; (3) for most building typologies, the climate has a strong impact on heat emissions, for example, buildings with dominant heat emissions from the zone exhaust air and/or the HVAC reject heat, a general decrease in heat emissions in hotter climates is observed, while envelope-dominated buildings show the opposite; and (4) building technologies that reduce energy use in buildings may perform differently in reducing heat emissions. The developed heat emissions calculation method can be adopted in EnergyPlus and most other building energy modeling programs. It can provide dynamic building heat emissions as an input to urban climate computational fluid dynamics (CFD) models at a higher spatial and temporal resolution than is currently available, to improve the simulation accuracy of the urban microclimate and capture the urban heat island effect and urban overheating.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Mechanism of O 2 Activation and Cysteine Oxidation by the Unusual Mononuclear Cu(I) Active Site of the Formylglycine-Generating Enzyme

The formylglycine-generating enzyme (FGE) catalyzes the selective oxidation of a peptidyl-cysteine to form formylglycine, a critical cotranslational modification for type I sulfatase activation and a useful bioconjugation handle. Previous studies have shown that the substrate peptidyl-cysteine binds to the linear bis-thiolate Cu(I) site of FGE to form a trigonal planar tris-thiolate Cu(I) structure that activates O 2 for the oxidation of the C β –H of the cysteine substrate via an unknown mechanism. Here, we employed a combination of stopped-flow kinetic, spectroscopic (UV–vis absorption, XAS, and EPR), and computational (DFT/TD-DFT calculations) methods to observe and characterize the key intermediates in this reaction for FGE from Streptomyces coelicolor. Our results define the reaction coordinate of FGE, which involves H-atom abstraction from the C β –H bond of the cysteine substrate by a reactive Cu(II)–O 2 •– species to form the now experimentally observed Cu(I)–OOH intermediate bound to a peptidyl-thioaldehyde, which proceeds to oxidize one of the protein-derived cysteine residues to a sulfenate that is end-on O-coordinated to Cu(I). These results provide fundamental insights into how the unusual mononuclear Cu(I) site of FGE activates O 2 for cysteine oxidation and stores oxidizing equivalents during catalysis by employing a Cu(I)–sulfenate intermediate with an end-on O-coordination that is unprecedented in biology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Assessing Global and Local Radiative Feedbacks Based on AGCM Simulations for 1980–2014/2017

In order to avoid contamination of unobservable and uncertain effective radiative forcing (ERF) on the diagnosis of radiative feedbacks based on short-term climate variability, we verify the Kernel-Gregory feedback calculation method using atmospheric model experiments with prescribed ERF. We show that both clear-sky radiative fluxes and all-sky radiative feedbacks have a closure between model simulations and kernel derivations. A near-zero global mean net cloud feedback is found in the simulation with prescribed ERF, which results in a more negative global net climate feedback, -2 W m -2 K -1 . Consistent with AMIP6 ensemble mean results, the lapse rate feedback is the largest contributor among all feedbacks to temperature amplification over the three poles (Arctic, Antarctic and Tibetan Plateau), followed by surface albedo feedback and Planck feedback deviation from its global mean. Except for the higher surface albedo feedback in the Antarctic, other feedbacks are almost same between the Arctic and Antarctic.

54 ENVIRONMENTAL SCIENCES↗