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At least 721 records · Page 40

Promising approaches for the assembly of the catalytically active, recombinant Desulfomicrobium baculatum hydrogenase with substitutions at the active site

Background: Hydrogenases (H2ases) are metalloenzymes capable of the reversible conversion of protons and electrons to molecular hydrogen. Exploiting the unique enzymatic activity of H2ases can lead to advancements in the process of biohydrogen evolution and green energy production. Results: Here we created of a functional, optimized operon for rapid and robust production of recombinant [NiFe] Desulfomicrobium baculatum hydrogenase (Dmb H2ase). The conversion of the [NiFeSe] Dmb H2ase to [NiFe] type was performed on genetic level by site-directed mutagenesis. The native dmb operon includes two structural H2ase genes, coding for large and small subunits, and an additional gene, encoding a specific maturase (protease) that is essential for the proper maturation of the enzyme. Dmb, like all H2ases, needs intricate bio-production machinery to incorporate its crucial inorganic ligands and cofactors. Strictly anaerobic, sulfate reducer D. baculatum bacteria are distinct, in terms of their biology, from E. coli. Thus, we introduced a series of alterations within the native dmb genes. As a result, more than 100 elements, further compiled into 32 operon variants, were constructed. The initial requirement for a specific maturase was omitted by the artificial truncation of the large Dmb subunit. The assembly of the produced H2ase subunit variants was investigated both, in vitro and in vivo. This approach resulted in 4 recombinant [NiFe] Dmb enzyme variants, capable of H 2 evolution. The aim of this study was to overcome the gene expression, protein biosynthesis, maturation and ligand loading bottlenecks for the easy, fast, and cost-effective delivery of recombinant [NiFe] H2ase, using a commonly available E. coli strains. Conclusion: The optimized genetic constructs together with the developed growth and purification procedures appear to be a promising platform for further studies toward fully-active and O 2 tolerant, recombinant [NiFeSe] Dmb H2ase, resembling the native Dmb enzyme. It could likely be achieved by selective cysteine to selenocysteine substitution within the active site of the [NiFe] Dmb variant.

59 BASIC BIOLOGICAL SCIENCES↗

A709 Qualification Plan Update and Mechanical Properties Data Assessment

This report provides a summary of the development effort for the qualification of Alloy 709, an advanced austenitic stainless steel, in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code, Section III, Division 5, High Temperature Reactors. It provides an assessment of the mechanical properties data generated to date from the tensile, creep, fatigue and creep-fatigue tests of the precipitation-treated Alloy 709 from two commercial heats in plate product form. It was concluded that the mechanical properties of Alloy 709 with the precipitation treatment continued to outperform those of Type 316 stainless steel. This affirms the recommendation to Code qualification this alloy as a replacement for Type 316 stainless steel to support the objective of reducing the construction and operating costs to incentivize advanced reactor deployment. The data also demonstrated that the precipitation treatment is effective in enhancing the creep-fatigue resistance of Alloy 709 while maintaining a significant creep strength advantage over Type 316 stainless steel. This report also provides an update to the test conditions for the creep, fatigue and creep-fatigue test matrices in order to cover the Code Case data package more effectively. Finally, it is recommended to continue the Alloy 709 Code Case Testing Program to develop the data package needed for the determination of the material-specific design parameters for inclusion in the Alloy 709 Code Case.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Rotordynamics on the PC: Further Capabilities of ARDS

Rotordynamics codes for personal computers are now becoming available. One of the most capable codes is Analysis of RotorDynamic Systems (ARDS) which uses the component mode synthesis method to analyze a system of up to 5 rotating shafts. ARDS was originally written for a mainframe computer but has been successfully ported to a PC; its basic capabilities for steady-state and transient analysis were reported in an earlier paper. Additional functions have now been added to the PC version of ARDS. These functions include: 1) Estimation of the peak response following blade loss without resorting to a full transient analysis; 2) Calculation of response sensitivity to input parameters; 3) Formulation of optimum rotor and damper designs to place critical speeds in desirable ranges or minimize bearing loads; 4) Production of Poincard plots so the presence of chaotic motion can be ascertained. ARDS produces printed and plotted output. The executable code uses the full array sizes of the mainframe version and fits on a high density floppy disc. Examples of all program capabilities are presented and discussed.

Fleming, David P.↗

Integration of the QMSFRG Database into the HZETRN Code

Accurate nuclear interaction data bases are needed for describing the transport of space radiation in matter including space craft structures, atmospheres, and tissues. Transport models support the identification and development of new material concepts for human and electronic part protection. Quantum effects are manifested in nuclear reactions in several ways including interference effects between terms in the multiple scattering series, the many-body nuclear wave functions (for e.g. the roles of shell structure and Fermi momentum) and nuclear clustering. The quantum multiple scattering fragmentation model (QMSFRG) is a comprehensive model for generating nuclear interaction databases for galactic cosmic ray (GCR) transport. Other nuclear databases including the NUCFRG model and Monte-Carlo simulation codes such as FLUKA, LAHET, HETC, and GEANT ignore quantum effects. These codes fail to describe many important features of nuclear reactions and are thus inaccurate for the evaluation of materials for radiation protection. Previously we have shown that quantum effects are manifested through constructive interference in forward production spectra, the effects of Fermi momentum on production spectra, cluster nuclei knockout, and the nuclear response function. Quantum effects are especially important for heavy ions with mass numbers less than 20 that dominate radiation transport in human tissues and for the materials that are expected to be superior in space radiation protection. We describe the integration of the QMSFRG model into the HZETRN transport code. Integration milestones include proper treatment of odd-even charge-mass effects in nuclear fragmentation and the momentum distribution of nucleon production from GCR primary heavy ions. We have also modified the two-body amplitudes in the model to include nuclear medium effects. In order to include a comprehensive description of the GCR isotopic composition in materials, we have described the isotopic composition of the GCR by extending the 59-isotope version of HZETRN to an 120-isotope version. The isotopic composition of most primary GCR elements (including H, He, C, N, O, Ne, Mg, Si, Ar, Ca, Cr, and Fe) are included in the extended model. We discuss results for the high-energy neutron composition inside materials, and the charge and mass distribution for benchmark GCR problems.

Cucinotta, F. A.↗

Economic analysis of CCUS: Accelerated development for CO 2 EOR and storage in residual oil zones under the context of 45Q tax credit

Residual oil zones (ROZ) undergoing CO 2 Enhanced Oil Recovery (CO 2 -EOR) may benefit from specific strategies to maximize their value. We evaluated several strategies for producing from a Permian Basin, West Texas, USA field’s ROZ. This ROZ lies below the main pay zone (MPZ) of the field. Such brownfield ROZs occur in the Permian Basin and elsewhere. Since brownfield ROZs are hydraulically connected to the MPZs, development sequences and schemes influence oil production, CO 2 storage, and net present value (NPV). We conducted economic assessments of various CO 2 injection/production schemes in the stacked ROZ-MPZ reservoir based on flow simulations of a high-resolution geocellular model built from wireline logs and core data and calibrated through production history matching. Flow simulations of water alternating gas (WAG) injection, such as switching injection from the MPZ to the ROZ and commingled production, were studied. Simulation results showed that simultaneous CO 2 injection into the MPZ and ROZ lead to the largest oil production and, generally, the largest NPV. If instead, CO 2 was simultaneously injected into the MPZ and ROZ, then into the ROZ alone, this maximized CO 2 storage. CO 2 storage can be used as a tax credit under the Internal Revenue Code, Section 45Q. Storage performance depends on the development approach and WAG ratio. Developing the ROZ increased storage compared to only producing from the MPZ. The WAG ratio to maximize oil production did not always yield the largest NPV. These findings are potentially applied to other Brownfield ROZs, which are common below San Andres reservoirs in the Permian Basin and other basins. ROZ development can increase oilfields’ NPV and carbon storage potential. Our study can serve as an analog for similar reservoirs. Here this work provides valuable insights into the further optimization of brownfield ROZ development and information for operators to plan to develop stacked ROZ-MPZ reservoirs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NEWTS Well Summary by Hydrologic Regions and Subbasins in the U.S.

Oil and gas well production data (2000-2022), including water production and injection, as well as summary information (e.g., well count by status, total vertical depth statistics, etc.) spatially summarized by Watershed Boundary Dataset's (WBD) region (Hydrologic Unit Code (HUC) 2) and subbasin (HUC8). Energy-related produced waters data were acquired and summarized in support of the development of the National Energy Technology Laboratory's NEWTS (National Energy Water Treatment and Speciation Database). Due to the proprietary nature of the wellbore data, this derived product has been spatially compiled by key areas to support research and stakeholder needs.

Energy Infrastructure↗

Wind Farm Layout Optimization with Loads Considerations

The objective of this paper is to improve the annual energy production of a wind farm by optimizing the layout of a wind farm, while considering fatigue loads on turbines. In this paper, the loads are estimated using the edgewise bending moment computed using CCBlade, a steady-state blade element momentum code. The edgewise bending moment is then used to calculate fatigue damage using Miner's rule. The fatigue damage is used to constrain the layout optimization problem. We show that our method can predict blade root damage with similar trends to damage calculated with other methods, such as a complex, computationally expensive large-eddy simulation and unsteady aeroelastic code. We also optimize wind farm layouts and show that, for a simple problem with two wind directions and ten turbines, the fatigue damage can be constrained without sacrificing wind farm power production.

17 WIND ENERGY↗

Update of the Nuclear Criticality Slide Rule Calculations: Plutonium systems – Delayed Fission Gamma

IRSN (France), LLNL (USA) and ORNL (USA) began a long-term collaboration effort in 2015 to update the nuclear criticality Slide Rule for the emergency response to a nuclear criticality accident. The Slide Rule permits the estimation of neutron and gamma dose rates and integrated doses based upon estimated fission yields, as a function of distance from the fission source, and time after criticality accidents for different critical systems. This paper presents results from the fourth phase of the current update of the Slide Rule project, in which delayed fission-product gamma (DFG) dose rates of unreflected plutonium critical systems were compared by several modern 3D radiation transport codes (MCNP, COG, SCALE), using updated flux-to-dose conversion factors. Dose rates are calculated for fissile material at five moderation ratios (H/Pu), at 1 m above the ground as a function of distance (between 30 cm and 1,200 m) from the external surface of the source to the center of the detector, and for periods between 1 s and 1,000 min after the critical instantaneous event. Further efforts have been devoted to the determination of the delayed gamma source, by comparing the time-dependent energy spectra obtained from several methods. Overall, DFG dose rates calculated by each participant led to consistent results. Extra effort is under way to identify the cause of the remaining differences, by comparing precisely the gamma source, and particularly nuclides inventories.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Excitation functions of some deuteron-induced nuclear reactions on Al

Here, excitation functions of the reactions 27 Al(d,αp) 24 Na, 27 Al(d,2p) 27 Mg and 27 Al(d,p) 28 Al were measured by the activation technique up to deuteron energies of 37 MeV. The available experimental databases of the reaction products 27 Mg and 28 Al were extended and compared with the nuclear model calculations based on the code TALYS-1.8. Our measured data are reproduced well by the model calculations after adjustment of a few free input parameters. The cross-section ratio of the (d,αp) to (d,2p) process as a function of projectile energy was deduced from the measured data, and the result is interpreted in terms of competition between a proton and an α-particle emission.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Second Target Station High-Fidelity Target Activation Comparison

The development of the Second Target Station (STS) target system at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) is well underway. The target system at STS consists of a rotating target disk that contains 21 segments of tungsten clad in tantalum clad in steel. A key aspect of the design of the target system is to account for the delayed heating and material damage caused by the delayed dose from decaying radionuclides. These radionuclides are a product of either spallation reactions or transmutation of the nuclei in the target system. These radionuclides build up in the target system components over the lifetime of the facility, and the radiation that is emitted can deposit energy in the components causing significant component heating and material damage. Monte Carlo N-Particle (MCNP) Version 6.2 transports the various particle species and calculates the spallation products and neutron fluxes throughout the target system. These spallation products and neutron fluxes along with the material definition of each component are relayed to the CINDER2008 transmutation code to calculate the radionuclide inventories and the corresponding decay gamma emission spectra. MCNP6.2 coupled with CINDER2008 is the computational method-of-choice for the analysis discussed in the following sections of this report. The analysis focuses on validating major assumptions in calculating the radionuclide inventory in the STS target system: all of the target segments are fresh, unirradiated material when the protons are incident on the segment, the average of the 21 segments of the target is sufficient to represent a single segment, and that averaging the proton pulse structure over time does not significantly affect the radionuclide inventory. The position-averaged, high-fidelity, and single-tally computational methods are used to validate the assumptions and provide a point of comparison to evaluate how the assumptions impact the radionuclide inventories. A more detailed explanation of the three computational methods is provided in Section 2. The position-averaged and single-tally methods are less computationally expensive when compared with the high-fidelity method where 54,000 individual calculations are needed to calculate 1 hr of STS operation. Section 3 details the comparison of the three methods to show that the assumptions made in the position-averaged method do not significantly impact the radionuclide inventory after 1 hr of operation. The discussions and results in this report are for 1 hr of operation. Due to the computational cost associated with calculating the transmutation and activation using the high-fidelity method, only 1 hr of operation has been calculated. The discrepancies observed after 1 hr of operation are not extrapolated out to longer operational times, and this report does not address how the discrepancies between the computational methods may manifest for longer operational periods.

43 PARTICLE ACCELERATORS↗

Radiological Safety Analysis Computer (RSAC) Program Version 7.4 Users’ Manual

The Radiological Safety Analysis Computer (RSAC) Program Version 7.4 (RSAC-7) is the newest version of the RSAC legacy code. RSAC-7 calculates the consequences of a release of radionuclides to the atmosphere. Users generates a fission product inventory from either reactor operating history or a nuclear criticality event. RSAC-7 models the effects of high-efficiency particulate air filters or other cleanup systems and calculates the decay and ingrowth during transport through processes, facilities, and the environment. Doses are calculated for inhalation, air immersion, ground surface, ingestion, and cloud gamma pathways. RSAC-7 is used as a tool to evaluate accident conditions in emergency response scenarios, radiological sabotage events, and safety basis accident consequences. This users’ manual contains the mathematical models and operating instructions for RSAC-7. Instructions, screens, and examples are provided to guide the user through the functions provided by RSAC-7. This program is designed for users who are familiar with radiological dose assessment methods.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Further Results on Rate 1/N Convolutional Code Constructions with Minimum Required SNR Criterion

New good (K, 1/N) convolutional codes for 8 or = to K or = to 13 and 2 or = to N or = to 8 were found and tabulated which require minimum signal-to-noise ratio (SNR) for given desired bit error rates (BER) with Viterbi decoding. The transfer function bound was used for the BER evaluations. These low-rate codes are expected to have a number of applications, especially for systems having large bandwidth-bit time products such as deep space and spread spectrum communication systems.

Lee, P. J.↗

Further results on rate 1/N convolutional code constructions with minimum required SNR criterion

New good (K, 1/N) convolutional codes for 8 or = to K or = to 13 and 2 or = to N or = to 8 were found and tabulated which require minimum signal-to-noise ratio (SNR) for given desired bit error rates (BER) with Viterbi decoding. The transfer function bound was used for the BER evaluations. These low-rate codes are expected to have a number of applications, especially for systems having large bandwidth-bit time products such as deep space and spread spectrum communication systems.

Lee, P. J.↗

Equilibrium radiative heating tables for aerobraking in the Martian atmosphere

Studies currently underway for Mars missions often envision the use of aerobraking for orbital capture at Mars. These missions generally involve blunt-nosed vehicles to dissipate the excess energy of the interplanetary transfer. Radiative heating may be of importance in these blunt-body flows because of the highly energetic shock layer around the blunt nose. In addition, the Martian atmosphere contains CO2, whose dissociation products are known to include strong radiators. An inviscid, equilibrium, stagnation point, radiation-coupled flow-field code has been developed for investigating blunt-body atmospheric entry. The method has been compared with ground-based and flight data for air, and reasonable agreement has been found. In the present work, the method was applied to a matrix of conditions in the Martian atmosphere. These conditions encompass most trajectories of interest for Mars exploration spacecraft. The predicted equilibrium radiative heating to the stagnation point of the vehicle is presented.

Hartung, Lin C.↗

Evaluation of thermal loading on a methane injector at high pressure and temperature

Experimental and numerical analyses are conducted to determine the surface temperature on a methane fuel injector used to produce a high enthalpy test stream for a combustion-fed subscale wind tunnel facility. It was found that the ratio of the methane fuel injection velocity to the air stream velocity is a significant factor in the production of high injector surface temperatures which lead to rapid deterioration of the fuel injector structure. The numerical code utilized for the computational analysis was found to be representative of the experimentally measured data since the experimental trends were reproduced by the numerical simulation. The quantitative accuracy of the numerical predictions could not be assessed from the data gathered because of the difficulty of making a noninterfering injector surface temperature measurement. The numerical code can be used for parametric evaluation of combustor parameters and thus will serve as an important tool in the design of such fuel injector systems.

Harvin, Stephen F.↗

Minimizing life cycle cost for subsonic commercial aircraft

A methodology is presented which facilitates the identification of that aircraft design concept which will incur the lowest life-cycle costs (LCCs) while meeting mission requirements. The methodology consists of an LCC module whose constituent elements calculate the costs associated with R&D, testing, evaluation, and production, as well as direct and indirect operating costs, in conjunction with the 'Flight Optimization System' conceptual design/analysis code. Provision is made in the methodology for sensitivities to advanced technologies for the subsonic commercial aircraft in question, which are optimized with respect to minimum gross weight, fuel consumption, acquisition cost, and direct operating cost.

Johnson, Vicki S.↗

An inverse method for the aerodynamic design of three-dimensional aircraft engine nacelles

A fast, efficient and user friendly inverse design system for 3-D nacelles was developed. The system is a product of a 2-D inverse design method originally developed at NASA-Langley and the CFL3D analysis code which was also developed at NASA-Langley and modified for nacelle analysis. The design system uses a predictor/corrector design approach in which an analysis code is used to calculate the flow field for an initial geometry, the geometry is then modified based on the difference between the calculated and target pressures. A detailed discussion of the design method, the process of linking it to the modified CFL3D solver and its extension to 3-D is presented. This is followed by a number of examples of the use of the design system for the design of both axisymmetric and 3-D nacelles.

Bell, R. A.↗

GOME Calibration and Validation Using Backscatter UV Techniques

GOME radiance, irradiance, and ozone products were validated by NASA Goddard Space Flight Center through three tasks which included, pre-launch calibration comparisons with SBUV and TOMS radiometric standards, validation of GOME Level-1 irradiance and radiance and Level 2 total ozone data products using SBUV/2 and TOMS algorithms and data, and studies of GOME data using the Goddard radiative transfer code. The prelaunch calibration using the NASA large aperture integrating sphere was checked against that provided by TPD. Agreement in the calibration constants, derived in air, between the Goddard and TPD system were better than 3%. Validation of Level-1 irradiance data included comparison of GOME and SSBUV and the UARS solar irradiances measurements. Large wavelength dependent differences, as high as 10%, were noted between GOME and the US instruments. This discrepancy has now been attributed to radiometric sensitivity changes experienced by GOME when operating in a vacuum. GOME Earth radiance data were then compared to the NOAA-14 SBUV/2 radiances. These results show that between 340 and 400 nm the differences in GOME and SBUV/2 data are less than 5% with some wavelength dependence. At wavelengths shorter than 300 nm, differences are of the order of 10% or more where the GOME radiances are larger. To test GOME DOAS retrieved total ozone values, these values were compared with ozone amounts retrieved using GOME radiances in the TOMS version-7 algorithm. The differences showed a solar zenith angle dependence ranging from 0 to 10% where the TOMS algorithm values were higher. GOME radiances below 300 nm were further validated by selecting radiances at wavelengths normally used by SBUV and processing them through the SBUV ozone profile algorithm and then compared to climatological values. The GOME ozone profiles ranged from 10-30% lower over altitude compared to climatological values. This is consistent with the offsets detected in the SBUV/2 radiance comparisons at wavelengths shorter than 300 nm.

Hilsenrath, E.↗