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At least 721 records · Page 40

Nuclear Technology Research and Development (NTRD) Technical Monthly July FY17

The OECD/NEA EGATFL deliverable on systems assessment (Task Force 1 in the expert group, chaired by S. Bragg-Sitton) was submitted to the full expert group for review and final edits in early June. Additional comments and modified sections of country-specific information were submitted in mid-July. They are being incorporated prior to submission for final editing by NEA. A complete draft of the state-of-the-art report on accident tolerant fuel and cladding was distributed by the leads of Task Forces 2 and 3 at the end of July (updated from the draft distributed in June). This report is now under review by the full expert group, with a target completion of all edits by the end of September. (S. Bragg-Sitton)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Complexation behavior of oppositely charged polyelectrolytes: Effect of charge distribution

Complexation behavior of oppositely charged polyelectrolytes in a solution is investigated using a combination of computer simulations and experiments, focusing on the influence of polyelectrolyte charge distributions along the chains on the structure of the polyelectrolyte complexes. The simulations are performed using Monte Carlo with the replica-exchange algorithm for three model systems where each system is composed of a mixture of two types of oppositely charged model polyelectrolyte chains (EGEG){sub 5}/(KGKG){sub 5}, (EEGG){sub 5}/(KKGG){sub 5}, and (EEGG){sub 5}/(KGKG){sub 5}, in a solution including explicit solvent molecules. Among the three model systems, only the charge distributions along the chains are not identical. Thermodynamic quantities are calculated as a function of temperature (or ionic strength), and the microscopic structures of complexes are examined. It is found that the three systems have different transition temperatures, and form complexes with different sizes, structures, and densities at a given temperature. Complex microscopic structures with an alternating arrangement of one monolayer of E/K monomers and one monolayer of G monomers, with one bilayer of E and K monomers and one bilayer of G monomers, and with a mixture of monolayer and bilayer of E/K monomers in a box shape and a trilayer of G monomers inside the box are obtained for the three mixture systems, respectively. The experiments are carried out for three systems where each is composed of a mixture of two types of oppositely charged peptide chains. Each peptide chain is composed of Lysine (K) and glycine (G) or glutamate (E) and G, in solution, and the chain length and amino acid sequences, and hence the charge distribution, are precisely controlled, and all of them are identical with those for the corresponding model chain. The complexation behavior and complex structures are characterized through laser light scattering and atomic force microscopy measurements. The order of the apparent weight-averaged molar mass and the order of density of complexes observed from the three experimental systems are qualitatively in agreement with those predicted from the simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Informing forest carbon inventories under the Paris Agreement using ground-based forest monitoring data

Human interactions with forests have shaped Earth's climate for millennia and will continue to do so as we target net-zero emission goals. Accurately characterizing these climate impacts requires making reliable forest carbon data available for forest monitoring and planning. Here, we develop a semi-automated process for submitting forest carbon measurements from the largest relevant scientific database to the International Panel on Climate Change's Emission Factor Database, which currently has sparse forest carbon data. Building this bridge from scientific research to international policy is an important step towards managing forests in a net-zero motivated future. Humans have been influencing Earth's climate via transformative impacts on forests for millennia, and forests are now recognized as critical to climate change mitigation under the Paris Agreement. The efficacy of climate change mitigation planning and reporting depends on quality data on forest carbon (C) stocks and changes. The Emission Factor Database (EFDB) of the International Panel on Climate Change (IPCC) is intended to be a definitive source for such data, but needs comprehensive and well-documented data to be so. To facilitate submission of forest C estimates from scientific studies to EFDB, we develop and document a process for semi-automated data submission from the Global Forest C database (ForC v4.0), which is the largest compilation of ground-based forest C estimates. We then assess the data currently available through ForC and provide recommendations for improving forest data collection, analysis, and reporting. As of September 2024, ForC contained ~19,286 records potentially relevant to EFDB, 1068 of which had been submitted and posted to EFDB. These represented 19% of the total EFDB records for forest land. Records were unevenly distributed across variables and geographic regions. ForC records (37%) reviewed could not be submitted because the original publication lacked required information. In the future, ground-based forest C estimates should target gaps in the record, and studies should ensure that they report all information necessary for inclusion in EFDB. Given that climate change is rapidly impacting the world's forests, timely reporting of recent estimates will be critical to accurate forest C inventories.

54 ENVIRONMENTAL SCIENCES↗

The Influence of Tip Shape on the Wing Load Distribution as Determined by Flight Tests

Pressure measurements were made in flight on the right upper wing of an M-3 airplane. The effects of tip plan form, washout, and transverse camber were investigated with eight tip forms in unyawed conditions through the range of positive lift coefficients from zero lift to the stall. The conclusion is that the tip plan form does not influence the span distribution of the coefficients of normal force and moment. It is shown inferentially that temperature, humidity, and the aging of the wood and fabric wing structure used on the M-3 airplane have an appreciable influence on the load distribution.

Rhode, Richard V↗

Response of laminated composite plates to low-speed impact by airgun-propelled and dropped-weight impactors

An analytical procedure has been developed to determine the transient response of simply supported, rectangular laminated composite plates subjected to impact loads from airgun-propelled or dropped-weight impactors. A first-order shear-deformation theory has been included in the analysis to represent properly any local short-wavelength transient bending response. The impact force has been modeled as a locally distributed load with a cosine-cosine distribution. A double Fourier series expansion and the Timoshenko small increment method have been used to determine the contact force, out-of-plane deflections, and inplane strains and stresses at any plate location due to an impact force at any plate location. The results of experimental and analytical studies are compared for quasi-isotropic laminates. The results indicate the importance of including transverse shear deformation effects in the analysis for predicting the response of laminated plates subjected to both airgun-propelled and dropped-weight impactors. The results also indicate that plate boundary conditions influence the axial strains more significantly than the contact force for a dropped-weight impactor. The results of parametric studies identify a scaling approach based on impactor momentum that suggests an explanation for the differences in the responses of plates impacted by airgun-propelled or dropped-weight impactors.

Prasad, Chunchu B.↗

Response of laminated composite plates to low-speed impact by different impactors

An analytic procedure has been developed to determine the transient response of simply supported, retangular laminated composite plates subjected to impact loads from airgun-propelled or drop-weight impactors. A first-order shear deformation theory has been included in the analysis to represent properly any local short-wavelength transient bending response. The impact force has been modeled as a locally distributed load with cosine-cosine distribution. A double Fourier series expansion and the Timoshenko small increment method have been used to determine the contact force, out-of-plane deflections, and in-plane strains and stresses at any plate location due to an impact force at any plate location. The results of experimental and analytical studies are compared for quasi-isotropic laminates. The results indicate the importance of including transverse shear deformation effects in the analysis for predicting the response of laminated plates subjected to both airgun-propelled and dropped-weight impactors. The results also indicate that plate boundary conditions influence the axial strains more significantly than the contact force for a dropped-weight impactor. The results of parametric studies identify a scaling approach based on impactor momentum that may account for the differences in the responses of plates impacted by airgun-propelled or dropped-weight impactors.

Prasad, Chunchu↗

Application of the mobility power flow approach to structural response from distributed loading

The problem of the vibration power flow through coupled substructures when one of the substructures is subjected to a distributed load is addressed. In all the work performed thus far, point force excitation was considered. However, in the case of the excitation of an aircraft fuselage, distributed loading on the whole surface of a panel can be as important as the excitation from directly applied forces at defined locations on the structures. Thus using a mobility power flow approach, expressions are developed for the transmission of vibrational power between two coupled plate substructures in an L configuration, with one of the surfaces of one of the plate substructures being subjected to a distributed load. The types of distributed loads that are considered are a force load with an arbitrary function in space and a distributed load similar to that from acoustic excitation.

Cuschieri, J. M.↗

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF–HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical Simulation of Gas and Liquid Two-Phase Flow in the RH Process

A mathematical model has been established to simulate the gas–liquid two-phase flow in the RH process. The effects of interphase forces and the bubble-induced turbulence on the fluid flow and motion of gas bubbles were investigated. The interphase forces include the drag force, the virtual mass force, the lift force, and the pressure gradient force, respectively. The prediction results of the liquid velocity and the recirculation rate were compared with the experimental data measured with a Particle Image Velocimetry technique. The results indicated that the drag force and the virtual mass force dominated the gas plume shape in the up-leg snorkel, and significantly influenced the liquid velocity and the distribution of the gas phase. The lift force mainly affected the spreading of gas bubbles in the radial direction of the snorkel. However, the pressure gradient force could be neglected because it had no effect on the liquid velocity and the gas volume fraction. The increase of the bubble-induced turbulence decreased the liquid velocity, and by adjusting the lift force, it widened the shape of the individual gas plumes. To accurately simulate the gas–liquid flow behavior in the RH degasser, these appropriate parameters, such as the drag coefficient, the virtual mass coefficient, the lift coefficient, and the bubble-induced turbulence coefficient, were determined by comparing the predicted results and the measured data.

42 ENGINEERING↗

Satellite Investigations of Aerosol Radiative Forcing

Biomass burning aerosols have a wide spatial distribution that is governed by the geographic distribution of their source regions and tropospheric circulation. Annually, more than 114 teragrams of smoke is produced that have residence times ranging from days to weeks depending upon their size and chemical composition. These aerosols reflect the incoming solar directly which is called the "direct effect" and they also modify the reflective properties of clouds which is called the "indirect effect". The direct top of atmosphere (TOA) globally averaged radiative forcing estimate range from -0.2 to -1.1 W/sq m . The uncertainties in this estimate are due to the various assumptions (see Introduction) involved in the calculations. While the TOA radiative forcing estimates provide valuable information on the effects of aerosols on climate, equally important are the downward shortwave irradiances (DSWI) at the surface and the atmospheric heating/cooling rate profiles. For example, the DSWI irradiance calculations show large discrepancies between measurements and calculations in the presence of biomass burning aerosols due to the inaccurate characterization of aerosols in radiative transfer models. The DSWI is an important component of the surface radiation balance and the atmospheric effects govern both local and regional circulation patterns. Very few studies have attempted to estimate the surface and atmospheric effects of biomass burning aerosols largely due to the lack of information on the microphysical and chemical properties of biomass burning aerosols. The major focus of this effort is to estimate the direct TOA radiative forcing of aerosols using satellite measurements.

Christopher, Sundar A.↗

Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors

Modeling nuclear quantum effects is required for accurate molecular dynamics (MD) simulations of molecules. The community has paid special attention to water and other biomolecules that show hydrogen bonding. Standard methods of modeling nuclear quantum effects like Ring Polymer Molecular Dynamics (RPMD) are computationally costlier than running classical trajectories. A force-field functor (FFF) is an alternative method that computes an effective force field that replicates quantum properties of the original force field. In this work, we propose an efficient method of computing FFF using the Wigner–Kirkwood expansion. As a test case, we calculate a range of thermodynamic properties of Neon, obtaining the same level of accuracy as RPMD, but with the shorter runtime of classical simulations. Lastly, by modifying existing MD programs, the proposed method could be used in the future to increase the efficiency and accuracy of MD simulations involving water and proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of preindustrial to present-day black carbon and its albedo forcing from Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)

As part of the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP), we evaluate the historical black carbon (BC) aerosols simulated by 8 ACCMIP models against observations including 12 ice core records, long-term surface mass concentrations, and recent Arctic BC snowpack measurements. We also estimate BC albedo forcing by performing additional simulations using offline models with prescribed meteorology from 1996-2000. We evaluate the vertical profile of BC snow concentrations from these offline simulations using the recent BC snowpack measurements. Despite using the same BC emissions, the global BC burden differs by approximately a factor of 3 among models due to differences in aerosol removal parameterizations and simulated meteorology: 34 Gg to 103 Gg in 1850 and 82 Gg to 315 Gg in 2000. However, the global BC burden from preindustrial to present-day increases by 2.5-3 times with little variation among models, roughly matching the 2.5-fold increase in total BC emissions during the same period.We find a large divergence among models at both Northern Hemisphere (NH) and Southern Hemisphere (SH) high latitude regions for BC burden and at SH high latitude regions for deposition fluxes. The ACCMIP simulations match the observed BC surface mass concentrations well in Europe and North America except at Ispra. However, the models fail to predict the Arctic BC seasonality due to severe underestimations during winter and spring. The simulated vertically resolved BC snow concentrations are, on average, within a factor of 2-3 of the BC snowpack measurements except for Greenland and the Arctic Ocean. For the ice core evaluation, models tend to adequately capture both the observed temporal trends and the magnitudes at Greenland sites. However, models fail to predict the decreasing trend of BC depositions/ice core concentrations from the 1950s to the 1970s in most Tibetan Plateau ice cores. The distinct temporal trend at the Tibetan Plateau ice cores indicates a strong influence from Western Europe, but the modeled BC increases in that period are consistent with the emission changes in Eastern Europe, the Middle East, South and East Asia. At the Alps site, the simulated BC suggests a strong influence from Europe, which agrees with the Alps ice core observations. At Zuoqiupu on the Tibetan Plateau, models successfully simulate the higher BC concentrations observed during the non-monsoon season compared to the monsoon season but overpredict BC in both seasons. Despite a large divergence in BC deposition at two Antarctic ice core sites, some models with a BC lifetime of less than 7 days are able to capture the observed concentrations. In 2000 relative to 1850, globally and annually averaged BC surface albedo forcing from the offline simulations ranges from 0.014 to 0.019Wm−2 among the ACCMIP models. Comparing offline and online BC albedo forcings computed by some of the same models, we find that the global annual mean can vary by up to a factor of two because of different aerosol models or different BC-snow parameterizations and snow cover. The spatial distributions of the offline BC albedo forcing in 2000 show especially high BC forcing (i.e., over 0.1W/sq. m) over Manchuria, Karakoram, and most of the Former USSR. Models predict the highest global annual mean BC forcing in 1980 rather than 2000, mostly driven by the high fossil fuel and biofuel emissions in the Former USSR in 1980.

snow cover↗

Synthesis of Aerosol Observations for Improved Understanding of Radiative Forcing

The ultimate objective of this project was to gain a better understanding of the relationship between aerosol physical and radiative properties through the integration of measurements from different approaches and platforms. Different types of information can only be gained from different approaches – for example, in situ sampling versus remote sensing – so to provide the best radiative forcing estimates they must be brought together in accurate and meaningful ways. This work involved understanding and characterizing measurement accuracy, integrating measurements from different approaches, and understanding the sensitivity of different aerosol representations from these various approaches to radiative forcing. Our progress involved the assessment of error and bias in aerosol absorption measurements made in situ and by remote sensing, assessment of new chemical composition measurements made by ARM, and determination of the sensitivity of radiative forcing to these measurement errors and the representation of absorption vertical distributions. We also examined the sensitivity of cloud condensation nuclei, cloud microphysics, and cloud radiative forcing to aerosol concentration, microphysical, chemical, and optical properties, and vertical distributions in distinct aerosol regimes.

54 ENVIRONMENTAL SCIENCES↗

Direct observation of strain-enhanced hydrogen segregation and failure at high-angle grain boundaries in nickel

Understanding the mechanisms underlying hydrogen embrittlement remains difficult, even in single-element metals. Both microstructure and stress state influence hydrogen distribution in metals and alloys, which impacts deformation and failure. Here, in this work, we use in-situ Kelvin probe force microscopy (KPFM) to monitor the hydrogen distribution in pure nickel over time at 1.1 % and 3.5 % strain. The sample strained to 3.5 % results in preferential hydrogen segregation to high-angle grain boundaries whereas the sample strained to 1.1 % does not exhibit preferential hydrogen segregation. Optical digital image correlation (DIC) shows that hydrogen charging results in both localized and reduced strains during tensile testing of a notched sample. Later stages of deformation and failure (e.g. microcracking) are studied by using in-situ transmission X-ray microscopy (TXM). TXM reveals nanoscale structural changes to a propagating crack in a hydrogen environment. Localized void growth and secondary cracking occur at grain boundaries near the primary crack front. Correlative electron backscattering diffraction (EBSD) is used to relate the cracking at grain boundaries to the hydrogen segregation observed in KPFM. These findings are unified in a proposed hydrogen embrittlement mechanism that describes the interaction of hydrogen with grain boundaries, and the role of grain boundaries in hydrogen embrittlement.

Grain boundary fracture↗

Experimental investigation of turbine blade-tip excitation forces

Results of a program to investigate the magnitude and parametric variations of rotordynamic forces which arise in high power turbines due to blade-tip leakage effects are presented. Five different unshrouded turbine configurations and one configuration shrouded with a labyrinth seal were tested with static offsets of the turbine shaft. The forces along and perpendicular to the offset were measured directly with a rotating dynometer. Exploration of casing pressure and flow velocity distributions was used to investigate the force-generating mechanisms. For unshrouded turbines, the cross-forces originate mainly from the classical Alford mechanisms while the direct forces arise mainly from a slightly skewed pressure pattern. The Alford coefficient for cross-force was found to vary between 2.4 and 4.0, while the similar direct force coefficient varied from 1.5 to 3.5. The cross-forces are found to increase substantially when the gap is reduced from 3.0 to 1.9% of blade height, probably due to viscous blade-tip effects. The forces also increase when the hub gap between stator and rotor decreases. The force coefficient decreased with operating flow coefficient. In the case of the shrouded turbine, most of the forces arise from nonuniform seal pressures. This includes about 80% for the transverse forces. The rest appears to come from uneven work extraction. Their level is about 50% higher in the shrouded case.

Martinez-Sanchez, Manuel↗

Statistical analysis of mesoscale rainfall: Dependence of a random cascade generator on large-scale forcing

Under the theory of independent and identically distributed random cascades, the probability distribution of the cascade generator determines the spatial and the ensemble properties of spatial rainfall. Three sets of radar-derived rainfall data in space and time are analyzed to estimate the probability distribution of the generator. A detailed comparison between instantaneous scans of spatial rainfall and simulated cascades using the scaling properties of the marginal moments is carried out. This comparison highlights important similarities and differences between the data and the random cascade theory. Differences are quantified and measured for the three datasets. Evidence is presented to show that the scaling properties of the rainfall can be captured to the first order by a random cascade with a single parameter. The dependence of this parameter on forcing by the large-scale meteorological conditions, as measured by the large-scale spatial average rain rate, is investigated for these three datasets. The data show that this dependence can be captured by a one-to-one function. Since the large-scale average rain rate can be diagnosed from the large-scale dynamics, this relationship demonstrates an important linkage between the large-scale atmospheric dynamics and the statistical cascade theory of mesoscale rainfall. Potential application of this research to parameterization of runoff from the land surface and regional flood frequency analysis is briefly discussed, and open problems for further research are presented.

Over, Thomas, M.↗

Load distributions on slender delta wings having vortex flow

Results obtained through application of potential-flow theory based on a suction flow analogy for incompressible flow are compared to attached-flow theory and to experimental data acquired for sharp-edged delta wings. The error incurred in predicting structural loads on the basis of attached-flow theory is investigated. Force and moment coefficients and load distributions are used in the comparisons. The root bending moment can be estimated by assuming vortex lift concentrated at the wing leading edge. While this may entail some error at large angles of attack (owing to inboard movement of the center of vortex lift), it may furnish an upper bound in evaluating results based on other theories.

Kuhlman, J.↗