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At least 199 records · Page 11

A comparison of carbon impurities in pre- and post-melt uranium Part 2: Scanning/Transmission electron microscopy analysis

We report the speciation and morphology of U carbide inclusions in pre- and post-melt U metal have been explored using high-resolution analytical electron microscopy (AEM). This report presents Part 2 of our study, in which aberration (C s ) corrected transmission and scanning transmission electron microscopy (S)TEM was used to elementally and crystallographically characterize C-containing impurities and defect features in U samples for comparison with results obtained by scanning electron microscopy (SEM) in Part 1, previously published by this journal. Elemental mapping and unit cell matching of inclusions by (S)TEM are consistent with phases observed by SEM, and new dislocations can be observed associating with some inclusion morphologies and not others.

36 MATERIALS SCIENCE↗

Comparison of machine learning and electrical resistivity arrays to inverse modeling for locating and characterizing subsurface targets

Here, this study evaluates the performance of multiple machine learning (ML) algorithms and electrical resistivity (ER) arrays for inversion with comparison to a conventional Gauss-Newton numerical inversion method. Four different ML models and four arrays were used for the estimation of only six variables for locating and characterizing hypothetical subsurface targets. The combination of dipole-dipole with Multilayer Perceptron Neural Network (MLP-NN) had the highest accuracy. Evaluation showed that both MLP-NN and Gauss-Newton methods performed well for estimating the matrix resistivity while target resistivity accuracy was lower, and MLP-NN produced sharper contrast at target boundaries for the field and hypothetical data. Both methods exhibited comparable target characterization performance, whereas MLP-NN had increased accuracy compared to Gauss-Newton in prediction of target width and height, which was attributed to numerical smoothing present in the Gauss-Newton approach. MLP-NN was also applied to a field dataset acquired at U.S. DOE Hanford site.

54 ENVIRONMENTAL SCIENCES↗

Overcharge-to-thermal-runaway behavior and safety assessment of commercial lithium-ion cells with different cathode materials: A comparison study

In this paper, overcharge behaviors and thermal runaway (TR) features of large format lithium-ion (Li-ion) cells with different cathode materials (LiFePO 4 (LFP), Li[Ni 1/3 Co 1/3 Mn 1/3 ]O 2 (NCM111), Li[Ni 0.6 Co 0.2 Mn 0.2 ]O 2 (NCM622) and Li[Ni 0.8 Co 0.1 Mn 0.1 ]O 2 (NCM811)) were investigated. The results showed that, under the same overcharge condition, the TR of LFP Li-ion cell occurred earlier compared with the NCM Li-ion cells, indicating its poor overcharge tolerance and high TR risk. However, when TR occurred, LFP Li-ion cell exhibited lower maximum temperature and mild TR response. All NCM Li-ion cells caught fire or exploded during TR, while the LFP Li-ion cell only released a large amount of smoke without fire. According to the overcharge behaviors and TR features, a safety assessment score system was proposed to evaluate the safety of the cells. In short, NCM Li-ion cells have better performance in energy density and overcharge tolerance (or low TR risk), while LFP Li-ion cell showed less severe response to overcharging (or less TR hazards). For NCM Li-ion cells, as the ratio of nickel in cathode material increases, the thermal stability of the cathode materials becomes poorer, and the TR hazards increase. Such a comparison study on large format Li-ion cells with different cathode materials can provide deeper insights into the overcharge behaviors and TR features, and provide guidance for engineers to reasonably choose battery materials in automotive applications.

25 ENERGY STORAGE↗

Comparison of near-background concentrations of Argon-37 and Xenon-133 in the Atmosphere

Radioisotopes of noble gases xenon and argon can be important indicators of underground nuclear explosions. The Comprehensive Nuclear-Test-Ban Treaty (CTBT) includes monitoring capabilities to identify potential nuclear explosions conducted in violation of the CTBT. This monitoring currently focuses on measurement of the xenon isotopes 133Xe, 135Xe, 131mXe and 133mXe. However, it is predicted that within 100 days of an underground nuclear explosion (UNE) 37Ar would be released to the atmosphere at higher concentrations than xenon isotopes (Haas et al. 2010) and with a higher signal to background ratio, depending on the radioxenon background levels. Therefore, inclusion of 37Ar measurement capabilities at atmospheric International Monitoring System (IMS) stations may represent an improvement in the capability to detect a nuclear explosion. At an IMS station, it could be difficult to determine what constitutes an elevated concentration as a result of an UNE without first understanding the expected range of background concentrations. This work describes our analysis of atmospheric samples for 37Ar to evaluate the range of background concentrations. Samples were collected at multiple locations, with approximately half coming from a sampler co-located with an IMS xenon monitoring station (RN75). The range of 37Ar concentrations measured in atmospheric air samples was relatively narrow; for samples considered detectable, the minimum and maximum measured concentrations were 0.56 and 2.3 mBq/m3, respectively. Comparison of 37Ar and 133Xe concentrations measured at the IMS station indicated some correlation between the measured concentrations. The results presented here demonstrate the capability to detect background concentrations of 37Ar in atmospheric air and provide a basis for potential implementation of 37Ar monitoring at IMS stations.

Fritz, Brad G.↗

Projecting spatiotemporally explicit effects of climate change on stream temperature: A model comparison and implications for coldwater fishes

Conservation planners and resource managers seek information about how the availability and locations of cold-water habitats will change in the future and how these predictions vary among models. In this work, we used a physical process-based model to demonstrate the implications of climate change for streamflow and water temperature in two watersheds with distinctive flow regimes: the Snoqualmie watershed (WA) and Siletz watershed (OR), USA. Our model incorporated a downscaled ensemble of global climate model outputs and was calibrated with in situ and remotely sensed water temperatures. Furthermore, we compared predictions from our processed-based model to those from a publicly available and widely used statistical model. The process-based model projected greater changes in summer maximum water temperatures for the mixed-rain-snow Snoqualmie watershed than for the rain-dominated Siletz watershed as a result of the near-complete loss of winter snowpack and significant reduction in summer flow in the Snoqualmie watershed expected by the 2080s. Both models projected generally similar future spatial patterns of maximum water temperature in the two rivers, with cool reaches distributed farther upstream and fewer in number. However, the process-based model projected higher spatial heterogeneity in water temperature due to our spatially explicit simulation of streamflow and because we calibrated the model with spatially continuous remotely sensed water temperature data. We used stream temperature projections to assess the vulnerability of Pacific salmon and trout to changes in the spatial distribution of cold-water habitats during August by the 2080s. Results suggest that salmonids may have fewer summertime cold-water habitats in both watersheds. Projected stream warming may further limit particular species and life stages, especially in the Snoqualmie watershed. Our comparison of models highlights the importance of considering what might be gained by using a process-based model for evaluating and prioritizing management actions that mitigate climate impacts on cold-water habitats for stream fishes.

54 ENVIRONMENTAL SCIENCES↗

Comparison of methods for the NMR measurement of motionally averaged dipolar couplings

Motionally averaged dipolar couplings are an important tool for understanding the complex dynamics of catalysts, polymers, and biomolecules. While there is a plethora of solid-state NMR pulse sequences available for their measurement, in can be difficult to gauge the methods’ strengths and weaknesses. In particular, there has not been a comprehensive comparison of their performance in natural abundance samples, where 1H homonuclear dipolar couplings are important and the use of large MAS rotors may be required for sensitivity reasons. In this work, we directly compared some of the more common methods for measuring C–H dipolar couplings in natural abundance samples using L-alanine (L-Ala) and the N-formyl-L-methionyl-L-leucyl-L-phenylalanine (fMLF) tripeptide as model systems. Here, we evaluated their performance in terms of accuracy, resolution, sensitivity, and ease of implementation. We found that, despite the presence of 1H homonuclear dipolar interactions, all methods, with the exception of REDOR, were able to yield the reasonable dipolar coupling strengths for both mobile and static moieties. Of these methods, PDLF provides the most convenient workflow and precision at the expense of low sensitivity. In low-sensitivity cases, MAS-PISEMA and DIPSHIFT appear to be the better options.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Testing fast reactor fuels in a thermal reactor: Comparison of transmutation metallic fuel alloys behavior by scanning electron microscopy

To optimize nuclear waste repository performance, the destruction of minor actinide elements, particularly Np and Am, in a neutron fast spectrum reactor is possible by incorporating these elements into nuclear fuel. Evaluating the performance of minor actinide containing fuel is of paramount importance to enabling this technology. However, such a task is challenging without an available domestic fast spectrum test reactor. A comparison of fuel performance tested in an available domestic thermal reactor at the Idaho National Laboratory, the Advanced Test Reactor, and in a fast spectrum reactor in France (Phénix) is presented here in this study. This study evaluates the capability of using a cadmium shrouded test position to mimic the power profile along the fuel radius present in fast spectrum reactors so that thermally driven phenomenon (e.g., constituent redistribution) can be evaluated in a thermal reactor and determined to be prototypical of a fast reactor. Thus, optical microscopy and scanning electron microscopy has been performed on irradiated 35U-29Pu-4Am-2Np-30Zr fuel samples (where the number preceding the element is the weight percent concentration) from the two mentioned reactors that present similar irradiation temperatures and power conditions. The results indicate that fuel performance phenomena are reproducible in the two irradiation conditions. The redistribution of Zr occurred in the same manner for the two samples. Similar partitioning of U-Pu-Zr phases was observed, and the behavior of Am was similar in the analyzed specimens. Finally, the overall microstructure evolution seems not to be affected by minor actinides addition compared to expected behavior of conventional U-19Pu-10Zr ternary metal fuels for both specimens. Slight differences in fuel cladding chemical interaction were, however, observed. This difference is likely driven by difference in cladding composition rather than irradiation conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Comparison of hardening and microstructures of ferritic/martensitic steels irradiated with fast neutrons and dual ions

Ferritic/martensitic steels T91 and HT9 were irradiated with neutrons (BOR-60 reactor) and dual ions (9 MeV Fe 3+ and 3.42 MeV energy degraded He 2+ ) from 369 to 520 °C and damage levels of 16.6 to 72 dpa to quantify the possibility of using ion irradiation to simulate neutron irradiation in terms of microstructures and mechanical properties. Nanoindentation testing was performed to obtain the bulk equivalent hardness of the dual-ion irradiated samples. For the neutron irradiated samples, both nanoindentation and Vickers hardness testing were conducted. Transmission Electron Microscopy (TEM) characterizations of the cavities, dislocation loops and precipitates were conducted to account for the strengthening contribution of each microstructure element. The good agreement between the microstructure-predicted (dispersed barrier hardening) and measured strength of the irradiated specimens demonstrated the accuracy of the strengthening model and the nanoindentation tests. Furthermore, the comparison of mechanical property and microstructure changes in ion and neutron irradiated structural materials indicated that ion irradiation replicated many neutron irradiation features. However, a single 70 °C temperature shift is insufficient to match all complex microstructures of neutron vs. ion irradiation over the irradiation temperature range of 369–520 °C.

36 MATERIALS SCIENCE↗

Comparison of EBSD, DIC, AFM, and ECCI for active slip system identification in deformed Ti-7Al

The use of SEM-DIC, AFM, ECCI, and HR-EBSD to characterize slip-system activity was assessed on the same material volume of Ti-7Al. This study presents a robust comparison of the various methods for the first time, including an assessment of their advantages and disadvantages, and how they can be used effectively in a complementary fashion. The analysis of the different approaches was carried out in a blind, round-robin manner at three different universities. A Ti-7Al specimen was deformed in uniaxial tension to approximately 3% axial strain, and the active slip systems were independently identified using (i) trace analysis; (ii) in-SEM digital image correlation, (iii) observations of residual dislocations from ECCI, and (iv) long-range rotation gradients through HR-EBSD, with consistent trace identification in all cases. Displacement data from AFM was used to augment SEM-DIC displacement data by providing complementary out-of-plane displacement information. Furthermore, short-range dislocation gradients (measured by DIC) provided insight into the residual geometrically necessary dislocation (GND) content, and was consistent with the GND content extracted from EBSD data and ECCI images, confirming the presence of residual GNDs on the dominant slip systems resulting in visible slip bands. Furthermore, these approaches can be used in tandem to provide multi-modal information on slip band identification, strain and orientation gradients, out-of-plane displacements, and the presence of GNDs and SSDs, all of which can be used to inform and validate the development of dislocation-based crystal plasticity and strain gradient models.

36 MATERIALS SCIENCE↗

Comparison of forward and inverse cam generation methods for the design of cam-linkage mechanisms

This paper presents a comparison between the forward and inverse cam generation methods applied to the design of a multi-lobed cam-rocker slider mechanism for function generation. In the forward method, the cam profile is specified directly and then the linkage output is determined using kinematics. In the inverse method, the trajectory of the output link is specified first and then the cam profile is determined using inverse linkage kinematics. First, the cam-linkage mechanism is introduced, and relevant kinematic equations are presented. Then, the cam generation methods are thoroughly explained. Here, the two cam generation methods are applied to a case study of a hydraulic motor using a multi-lobed cam and multiple linkage mechanisms. While the forward method has direct control of the cam shape, the inverse method has direct control of the linkage output and offers an advantage in calculation speed. For the mechanism selected, the cam designed with the inverse method achieved a reduction of at least 50.97% in the torque ripple when compared to the cam designed with the forward method.

42 ENGINEERING↗

A comparison of machine learning surrogate models of street-scale flooding in Norfolk, Virginia

Low-lying coastal cities, exemplified by Norfolk, Virginia, face the challenge of street flooding caused by rainfall and tides, which strain transportation and sewer systems and can lead to personal and property damage. While high-fidelity, physics-based simulations provide accurate predictions of urban pluvial flooding, their computational complexity renders them unsuitable for real-time applications. Using data from Norfolk rainfall events between 2016 and 2018, this study compares the performance of a previous surrogate model based on a random forest algorithm with two deep learning models: Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU). The comparison of deep learning to the random forest algorithm is motivated by the desire to utilize a machine learning architecture that allows for the future inclusion of common uncertainty quantification techniques and the effective integration of relevant, multi-modal features.

54 ENVIRONMENTAL SCIENCES↗

Comparison of Results from Recent NNSA and CEA Measurements of the 239 Pu(n, f) Prompt Fission Neutron Spectrum

The National Nuclear Security Administration (NNSA)/DP French Alternative Energies and Atomic Energy Commission (CEA)/DAM agreement on cooperation on fundamental science is a U.S.-French collaborative effort to combine intellectual and experimental resources and further the relevant nuclear science. Recently, both the NNSA and CEA experimental teams performed high-statistics measurements of the 239 Pu(n, f) prompt fission neutron spectrum (PFNS) at the Los Alamos Neutron Science Center, both of which were recently published in the journal Physical Review C. These separate measurements used the same experimental area and a common neutron detector array, but differ in many aspects, including background assessments, data acquisition systems and philosophies, fission detectors, and PFNS extraction techniques. Hence, some aspects of the experimental methods and associated uncertainties are highly correlated while others are independent. The results from both measurements broke new ground for PFNS measurements given their higher accuracy and more detailed study of corrections necessary for the measured quantity compared to existing literature measurements, and both will significantly impact PFNS nuclear data evaluations for the foreseeable future. Here, the focus of this work is to document a comparison of the results from these distinct measurements in terms of the acquired data, the PFNS results, and the measured average PFNS energies. While systematic differences between the PFNS results are present on the 1–3% level, the acquired data relative to each respective measurement at low incident neutron energies are in remarkable agreement, as are the conclusions regarding the magnitude and position of features in the PFNS relating to second-chance fission, third-chance fission, and pre-equilibrium neutron emission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Comparison of MCNP thermal scattering laws to inelastic neutron scattering data

Neutron transport computations employ thermal scattering laws (TSLs) to account for the influence of material structure and collective excitations at low energy (≲ 10 eV). Recent work has been undertaken to improve TSL accuracy and expand the number of available materials in the Evaluated Nuclear Data File (ENDF). However, comparison of TSL to measured data is often sparse. In this work, we present a method to evaluate TSL accuracy in the Monte Carlo N-Particle (MCNP) code by simulating inelastic neutron scattering (INS) measurement and comparing to data. The method is briefly described with example application to the recently released ENDF-VIII TSL library for polyethylene as well as a cryogenic PE TSL we are separately developing.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Detailed comparison of renormalization scale-setting procedures based on the principle of maximum conformality

The Principle of Maximum Conformality (PMC), which generalizes the conventional Gell-Mann-Low method for scale-setting in perturbative QED to non-Abelian QCD, provides a rigorous method for achieving unambiguous scheme-independent, fixed-order predictions for physical observables consistent with the principles of the renormalization group. In addition to the original multi-scale-setting approach (PMCm), two variations of the PMC have been proposed to deal with ambiguities associated with the uncalculated higher order terms in the pQCD series, i.e. the single-scale-setting approach (PMCs) and the procedures based on ``intrinsic conformality" (PMC ∞ ). In this paper, we will give a detailed comparison of these PMC approaches by comparing their predictions for three important quantities R e+e– , R τ , and $Γ(H→b\bar{b}$) up to four-loop pQCD corrections. The PMCs approach determines an overall effective running coupling α s (Q) by the recursive use of the renormalization group equation, whose argument Q represents the actual momentum flow of the process. Our numerical results show that the PMCs method, which involves a somewhat simpler analysis, can serve as a reliable substitute for the full multi-scale PMCm method, and that it leads to more precise pQCD predictions with small residual scale dependence.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Spatially calibrating polycyclic aromatic hydrocarbons (PAHs) as proxies of area burned by vegetation fires: Insights from comparisons of historical data and sedimentary PAH fluxes

Many regions worldwide have experienced increasing wildfire activity in recent years and climate changes are predicted to result in more frequent and severe fires. Reconstruction of past fire activity offers paleoenvironmental context for modern and future burning. Pyrogenic polycyclic aromatic hydrocarbons (PAHs) have been increasingly used as a molecular biomarker for fire occurrence in the paleorecord and offer opportunity for nuanced reconstructions of fire characteristics. A suite of PAHs are produced during combustion, and the emission amount and assemblage is influenced by many variables including fuel type, fire temperature, and oxygen availability. Despite recent advances in understanding the controls and taphonomy of these biomass burning markers, the spatial scale of this proxy is unknown. In this paper, measurements of PAH fluxes preserved in a lake sediment archive from the Sierra Nevada, California were compared with a historical geographic information system dataset of area burned up to 150 km distance from the lake to determine the spatial scales for which these biomarkers are reliable proxies of burning. Comparisons of PAH fluxes with charcoal accumulation rates in the same sediments suggest that pyrogenic particulate transport modulates low to mid-molecular weight PAHs via adsorption. Overall, the results indicate that PAH records integrate a combination of spatial signals of area burned and measurement of individual PAHs may enable cross-scale paleofire reconstructions.

54 ENVIRONMENTAL SCIENCES↗

Comparison of response of superconductivity to impurity concentration in UBe 13 and LuBe 13

Uhlirova et al. reported superconductivity in LuBe 13 and assigned it tentatively to be BCS-type, with specific heat measurements down to 0.45 K showing the partial onset of a bulk transition. In order to check LuBe13 for unconventional behavior, as well as to further characterize the unconventional superconductivity in UBe 13 , we have prepared and characterized down to 0.40 K three arc-melted samples each of MBe 13 , M = Lu, U, using three different purities (99.999%, 99.96%, and 99.8%) of Be but with the same high purity M (Lu or U) for all three. The measurements down to 0.40 K allow the detection of the maximum in the specific heat in all three LuBe 13 samples. The resulting superconducting properties strongly depend on impurity level in UBe 13 (40% decrease in ΔC/T c , 15% decrease in T c mid ) while the three LuBe 13 samples exhibit significantly smaller changes (10% and 5% respectively) with purity. The comparison of properties at the first two levels of purity (99.999% vs 99.96%) is even more disparate: 12% decrease in T c mid in UBe 13 vs no change in LuBe 13 . Furthermore, these results are consistent with previous results that argue for unconventional superconductivity in UBe 13 and are consistent with Uhlirova et al.‘s assignment of LuBe 13 as a conventional, BCS superconductor. More generally, this example of comparing superconducting properties vs-controlled gradations in impurity levels with two compositionally and structurally “matched” superconducting compounds (one conventional and one of to-be-determined coupling behavior) offers a new method for determining unconventional behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Symmetric-asymmetric collision comparison: Disentangling nuclear structure and subnucleonic structure effects for small system flow

Previous flow measurements in small collision systems were mostly based on highly asymmetric collisions (p+Pb, p+Au, d+Au, 3 He+Au), where both nuclear structure and subnucleonic fluctuations are important. Comparing these asymmetric systems with the newly available symmetric 16 O+ 16 O collisions at RHIC and LHC provides a unique opportunity to disentangle these two contributions. Using Glauber models incorporating both nucleon and quark-level substructure, we analyze multiplicity distributions and initial-state estimators: eccentricities ε n for anisotropic flow ν n and inverse transverse size d ⟂ for radial flow. We find that subnucleonic fluctuations impact O+O collisions differently from asymmetric systems, creating specific patterns in flow observables that enable disentangling the competing contributions. Such experimental comparisons will reduce uncertainties in the initial conditions and improve our understanding of the properties of the QGP-like medium produced in small systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Bayesian model-data comparison incorporating theoretical uncertainties

Accurate comparisons between theoretical models and experimental data are critical for scientific progress. However, inferred physical model parameters can vary significantly with the chosen physics model, highlighting the importance of properly accounting for theoretical uncertainties. In this Letter, we present a Bayesian framework that explicitly quantifies these uncertainties by statistically modeling theory errors, guided by qualitative knowledge of a theory’s varying reliability across the input domain. We demonstrate the effectiveness of this approach using two systems: a simple ball drop experiment and multi-stage heavy-ion simulations. In both cases incorporating model discrepancy leads to improved parameter estimates, with systematic improvements observed as additional experimental observables are integrated.

Bayesian methods↗