Evaluation of deep vadose zone contaminant flux into groundwater: Approach and case study
Not Available
Oostrom, M.↗
SEARCH · Engineering Papers
Results for “evaluation”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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An expert panel process to evaluate habitat restoration actions in the Columbia River estuary
Not Available
Krueger, Kirk L.↗
Synthetic routes to a nanoscale inorganic cluster [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15} evaluated by solid-state {sup 71}Ga NMR
Solid-state {sup 71}Ga NMR was used to characterize a series of [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15} “Ga{sub 13}” molecular clusters synthesized by multiple methods. These molecular clusters are precursors to thin film electronics and may be employed in energy applications. The synthetic routes provide varying levels of impurities in the solid phase, and these impurities often elude traditional characterization techniques such as powder X-ray diffraction and Raman spectroscopy. Solid-state NMR can provide a window into the gallium species even in amorphous phases. This information is vital in order to prevent the impurities from causing defect sites in the corresponding thin films upon gelation and condensation (polymerization) of the Ga{sub 13} clusters. This work demonstrates the resolving power of solid-state NMR to evaluate structure and synthetic quality in the solid state, and the application of high-field NMR to study quadrupolar species, such as {sup 71}Ga. - Graphical abstract: The various synthetic routes and {sup 71}Ga solid-state NMR spectra of the nanoscale inorganic cluster [Ga{sub 13}(μ{sub 3}-OH){sub 6}(μ{sub 2}-OH){sub 18}(H{sub 2}O)](NO{sub 3}){sub 15}. - Highlights: • Solid-state {sup 71}Ga NMR of hydroxo-aquo metal clusters and the impurities present. • High-field NMR capability allows for quadrupolar species, such as {sup 71}Ga, to be routinely studied. • Efficient and environmentally friendly synthetic routes have been developed to prepare hydroxo-aquo metal clusters.
36 MATERIALS SCIENCE↗
Evaluation of a commercially available passively Q-switched Nd:YAG laser with LiF:F-2(-) saturable absorber for laser-induced breakdown spectroscopy
Interest in passively Q-switched microchip lasers as a means for miniaturization of laser-induced breakdown spectroscopy (LIBS) apparatus has rapidly grown in the last years. To explore the possibility of using a comparatively UV-Vis transparent absorber, we herein present the first report on the evaluation of a commercially available flash lamp-pumped passively Q-switched Nd:YAG laser with LiF:F 2 - saturable absorber as an excitation source in LIBS. Quantitative measurements of barium, strontium, rubidium and lithium in granite, rhyolite, basalt and syenite whole-rock glass samples were performed. Ablation craters produced on a rock glass sample were characterized using a computerized X-ray tomography. Using a gated intensified benchtop spectrometer, limits of detection of 0.97, 23, 37, and 144 ppm were obtained for Li, Sr, Rb, and Ba, respectively. Finally, we discuss the advantages of using such a laser unit for LIBS applications in terms of ablation efficiency, analytical performances, output energy, and standoff capabilities.
36 MATERIALS SCIENCE↗
Performance evaluation of the three-point angular correlation function
In recent years, we have observed an increase in the diversity of the processors ecosystem. Different designs and architectures are being studied based on their performance and power characteristics. While using benchmarks for this purpose allows for reproducibility and easy understanding of the results, using real scientific applications allows researchers to realize the actual implications of each design on the overall performance of their codes. This paper analyzes the performance of different implementations of a three-point angular correlation function. This function is used in the study of Large-Scale Distribution of galaxies in a variety of computational platforms. The function is based on histogram construction and presents a large computational cost. This cost dramatically increases with the size of the datasets. We have considered two different GPUs, a set of x86 Intel machines (multi- and many-core), ARM chipsets, as well as an FPGA. We first study the best possible implementation for each platform in terms of time to solution. We then compare the power used by those platforms for a predefined number of datasets. Energy is one of the main constraints that computer architects are facing nowadays. The results will be used to evaluate the performance of this function considering those two targets – time and energy – for those platforms and to analyze the suitability of each of those platforms for this specific problem.
Computer Science↗
Scoping evaluation of trace isotopic ratios within the noble metal-phase as indicators of reactor class
Not Available
Palmer, Camille J. (ORCID:0000000275734215)↗
Comparative evaluation of deep learning workloads for leadership-class systems
Deep learning (DL) workloads and their performance at scale are becoming important factors to consider as we design, develop and deploy next-generation high-performance computing systems. Since DL applications rely heavily on DL frameworks and underlying compute (CPU/GPU) stacks, it is essential to gain a holistic understanding from compute kernels, models, and frameworks of popular DL stacks, and to assess their impact on science-driven, mission-critical applications. At Oak Ridge Leadership Computing Facility (OLCF), we employ a set of micro and macro DL benchmarks established through the Collaboration of Oak Ridge, Argonne, and Livermore (CORAL) to evaluate the AI readiness of our next-generation supercomputers. In this paper, we present our early observations and performance benchmark comparisons between the Nvidia V100 based Summit system with its CUDA stack and an AMD MI100 based testbed system with its ROCm stack. We take a layered perspective on DL benchmarking and point to opportunities for future optimizations in the technologies that we consider.
Yin, Junqi↗
Evaluating resource adequacy impacts on energy market prices across wind and solar penetration levels
Not Available
Frew, Bethany↗
Evaluation of the Microstructure and Property of TiNi SMA Prepared using VIM in BaZrO3 Crucible
The contamination from the crucible has been recognized as the main drawback of using vacuum induction melting (VIM) method to prepare TiNi shape memory alloys (SMAs). In the present work, we evaluated the feasibility of utilizing the highly-stable BaZrO3 crucible to prepare TiNi SMAs, whose microstructure and mechanical properties were investigated by High-energy X-ray Diffraction (HE-XRD), analytical Transmission Electron Microscopy (TEM), Differential Scanning Calorimetry (DSC) and tensile test. It was found that there were about 0.035 wt % oxygen and 0.039 wt % zirconium remained in the TiNi alloy after melting in BaZrO3 crucible, which fulfills the ASTM standard on biomedical TiNi alloys. Oxygen from the dissolution of BaZrO3 could form Ti4Ni2Ox phase, and zirconium exists as solute atoms in both of the matrix and second phase. After the thermomechanical processing and vacuum annealing at 850 degrees C, the alloy achieved 37.63% of fracture elongation and 880 MPa of tensile strength. The transformational strain and martensitic yield strain of the alloy reached about 8% and 21% respectively.
Gao, Pengyue↗
Evaluating Water Reactivity at Silica Surfaces Using Reactive Potentials
Understanding the interactions between amorphous silica surfaces and water provides insight into material degradation of silicate glasses and minerals in aqueous environment. Molecular dynamics (MD) simulations of water and nanometer sized silica structures were used in this work to evaluate the reactivity of flat silica surface and surfaces with curvature. We compared two dissociable water/silica potentials, namely the Reactive Force Field (ReaxFF) and the Mahadevan–Garofalini water/silica force field (MGFF) that have been in development over the past decade, to study their performance in simulating bulk water as well as silica–water interactions. Significant differences in the properties of bulk water as well as surface interactions were observed between the two types of potentials, as well in the same potential type with two parametrizations for ReaxFF, suggesting a need for improvement of the existing water/silica ReaxFF potentials. Our simulation results show that a majority of the silanols were formed by reactions between water and strained siloxane bonds that mainly exist on the surface of amorphous silica, within a few nanoseconds of the simulation time scale, in agreement with previous studies. Effect of surface curvature on the reactivity with water was investigated. Our results indicate that defect concentration at the surface bears a strong correlation to the concentration of silanols (Si–OH) that eventually form. We observe undercoordinated Si’s at the surface that are attacked by water before the hydrolysis reaction of the siloxane bonds and demonstrate possible mechanisms of water reacting with these undercoordinated Si’s. Furthermore, we also find that the method of generating surfaces in simulation determines the defect concentration and hence influences the reactivity of the amorphous silica surface.
36 MATERIALS SCIENCE↗
Evaluation of E3SM Simulated Aerosols and Aerosol‐Cloud Interactions Across GCM and Convection‐Permitting Scales
This paper introduces an Earth system modeling testbed for predicting aerosols and aerosol‐cloud interactions (ACIs) at convection‐permitting scales. Using the Energy Exascale Earth System Model (E3SM) version 2 with a four‐mode Modal Aerosol Module, we conduct simulations at 3.25 km resolution on a regionally refined mesh (RRM) across four regions with distinct aerosol and cloud regimes. Results are compared with the standard 100 km E3SM configuration and evaluated against satellite, aircraft, and ground‐based observations. We find that increasing model resolution improves heavy precipitation simulation but amplifies positive bias in light drizzle at coarse resolution. These resolution‐induced changes affect cloud and aerosol properties to varying degrees across regions. Generally, cloud cover and liquid water path (LWP) show better agreement with satellite retrievals at 3.25 km, though surface‐based comparisons suggest otherwise. Aerosol composition remains poorly represented at both resolutions. The RRM increases Aitken mode aerosol number concentrations via enhanced new particle formation. However, accumulation mode aerosols are decreased at higher resolution as aerosol removals become more efficient. This partially contributes to fewer cloud condensation nuclei (CCN) and lower cloud droplet number concentrations (N d ), which produces larger model biases in some scenarios. These findings suggest that solely increasing horizontal resolution to kilometer scales is insufficient to broadly improve aerosol and cloud predictions without concurrent advancements in physical and chemical process representations. Nonetheless, the RRM moderately improves key ACI relationships such as CCN‐N d correlation, reflecting enhanced aerosol activation representation. The LWP‐N d relationship is also better captured by RRM, suggesting a better characterization of LWP adjustment.
Huang, Meng [Pacific Northwest National Laboratory↗
Surface bypass as a means of protecting downstream-migrating fish: lack of standardised evaluation criteria complicates evaluation of efficacy
A surface bypass is a downstream migration structure that can help reduce hydropower-induced damage to migrating fish. We reviewed results of laboratory and field studies conducted in North America, Europe, and Australia between 1982 and 2017 concerning surface bypass efficacy. The main challenges in designing efficient surface bypasses were identified to be the simultaneous consideration of hydraulic and geometrical parameters and biological knowledge of fish behavior. Without the combined efforts of engineers and biologists, an efficient bypass design cannot be achieved. Moreover, the use of different criteria for evaluating bypass performance prevents direct comparison of the results of studies and deduction of design criteria. Bypass efficiency is a term that is widely used, but no standard definition of the term exists. Its definition can thus vary among studies. Two groups of definitions were identified: One group uses only those fish that approach or pass the dam whereas the other group includes all marked or tagged fish that are released upstream of a dam regardless of their fate after release. Within these groups, the definitions of bypass efficiency are comparable. Based on this concept, the efficiencies for different fish species at surface bypasses were identified: eels (11% // 10%), Pacific salmon (46% // 19%), steelhead and brown trout (49% // 41%), and Atlantic salmon (72% // 48%). Currently it is not possible to formulate design criteria for a wide range of species because available data are insufficient data. We recommend that in future bypass studies, more comparable standards and performance criteria should be used and both successes and failures should be reported.
Klopries, Elena-Maria↗
Evaluating habitat, prey, and mesopredator associations in a community of marine birds
Not provided.
Fisheries↗
Evaluating Online Global Recovery with Fenix Using Application-Aware In-Memory Checkpointing Techniques
Exascale systems promise the potential for computation at unprecedented scales and resolutions, but achieving exascale by the end of this decade presents significant challenges. A key challenge is due to the very large number of cores and components and the resulting mean time between failures (MTBF) in the order of hours or minutes. Since the typical run times of target scientific applications are longer than this MTBF, fault tolerance techniques will be essential. An important class of failures that must be addressed is process or node failures. While checkpoint/restart (C/R) is currently the most widely accepted technique for addressing processor failures, coordinated, stable-storage-based global C/R might be unfeasible at exascale when the time to checkpoint exceeds the expected MTBF. This paper explores transparent recovery via implicitly coordinated, diskless, application-driven checkpointing as a way to tolerate process failures in MPI applications at exascale. The discussed approach leverages User Level Failure Mitigation (ULFM), which is being proposed as an MPI extension to allow applications to create policies for tolerating process failures. Specifically, this paper demonstrates how different implementations of application-driven in-memory checkpoint storage and recovery compare in terms of performance and scalability. We also experimentally evaluate the effectiveness and scalability of the Fenix online global recovery framework on a production system -the Titan Cray XK7 at ORNL- and demonstrate the ability of Fenix to tolerate dynamically injected failures using the execution of four benchmarks and mini-applications with different behaviors.
97 MATHEMATICS AND COMPUTING↗