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At least 1,495 records · Page 83

Temporal variabilities of soil carbon dioxide fluxes from cornfield impacted by temperature and precipitation changes through high-frequent measurement and DAYCENT modelling

Soil carbon dioxide (CO 2 ) emissions from the field of corn (Zea mays L.) play an important role in global warming. This study investigated temporal variability of soil CO 2 fluxes (R s ) with soil temperature (T s ) and moisture (θ) and built DAYCENT models for predicting future impacts of climate changes on R s using the measured high-frequency data. R s trend was tested by Mann–Kendall and Sen Estimator. Predicted R s s under different climate scenarios were compared using Parallel-line Analysis. Herein, the findings indicated that daily R s exponentially increased with T s constrained by θ. During the θ of 27–31%, there was a strong exponential relationship between R s and T s , but the relationship was weaker for the θ of 38–41% and 22–26%. Soil environmental index (SEI, T s × θ) significantly impacted R s with linear regression R s 0.5 = 0.4599 + 0.002059 × SEI in 2008, 2009 and 2011. At the diurnal scale, there were different trends in R s s and relationships among R s and T s and θ in different years. Predicted yearly R s s, root R s s and corn yield in 2014–2049 increased with an increase in temperature scenarios, but the R s s significantly increased as temperature rose by 1°C or higher. Predicted yearly R s s, root R s s and yield reduced with precipitation scenario increase, and the root R s s and yield significantly diminished as precipitation increased by 15 and 30%. Predicted yearly R s from cornfields had a significantly increasing trend. Future research is needed to explore methods for mitigating cornfield R s and evaluating sensitivities of different cropland R s s to temperature changes.

54 ENVIRONMENTAL SCIENCES↗

Streamflow in the Columbia River Basin: Quantifying Changes Over the Period 1951-2008 and Determining the Drivers of Those Changes

Trend, detection, and attribution analyses were performed using naturalized streamflow observations and routed land surface model runoff for 10 subbasins in the Columbia River Basin during water years 1951–2008. The Energy Exascale Earth System land-surface model (ELM) version 1.0 and the Routing Application for Parallel computatIon of Discharge (RAPID) routing model were used to conduct semi-factorial simulations driven by multiple sets of bias-corrected forcing data sets. Four main potential drivers, including climate change (CLMT), CO 2 concentration (CO 2 ), nitrogen deposition (NDEP), and land use and land cover change (LULCC), were analyzed during the assessment. All subbasins showed significant (α = 0.10) declines in the observed amount of annual total streamflow, except for the Middle and Upper Snake and Upper Columbia Subbasins. These declines were led by significant decreases in June–October streamflow, which also directly led to significant decreases in peak and summer streamflow. Except for the Snake River Subbasins, LULCC had the same pattern of declines in monthly streamflow, but the period was shifted to May–September. NDEP also had significant trends in June–October; however, rather than decreases, the trends showed significant increases in streamflow. While there were significant trends in CO 2 , NDEP, and LULCC, their signals of change were weak in comparison to the signal in CLMT and the natural internal variability found in streamflow. Overall, the detection and attribution analysis showed that the historical changes found in annual total, center of timing of, and summer mean streamflow could be attributed to changing climate and variability.

54 ENVIRONMENTAL SCIENCES↗

torch-einshard v1.0

torch-einshard is a Python library for describing local and distributed PyTorch tensor computations with compact, einsum-like notation. Its expressions name logical axes, specify how they are sharded across a PyTorch DeviceMesh, and represent partial reductions. The library automatically performs contractions, permutations, reshaping, splitting, gathering, reduction, reduce-scatter, and repartitioning while preserving autograd. Additional features include sharding-aware FFTs, tensor rolls, halo exchange, sliding windows, 1D–3D convolutions, uneven-shard handling, parameter initialization and gradient management, and cost-based execution planning. It is designed for scientific machine learning and large-model workloads, including tensor-, sequence-, and spatial-parallel MLPs, attention, convolutions, and spectral operations. Compared with manually combining torch.einsum and distributed collectives, torch-einshard expresses both the mathematical operation and data placement in one readable formula. This reduces boilerplate and synchronization errors, keeps forward and backward communication consistent, and allows the library to select optimized collective strategies without changing model code.

Morozov, Dmitriy [Lawrence Berkeley National Labor↗

Evaluation of Pre- and Post- Redevelopment Groundwater Chemical Analyses from LM Monitoring Wells

This report documents the efforts and analyses conducted for the Applied Studies and Technology (AS&T) Ancillary Work Plan (AWP) project titled Evaluation of Pre- and Post- Redevelopment Groundwater Sample Laboratory Analyses from Selected LM Groundwater Monitoring Wells. This effort entailed compiling an inventory of nearly 500 previous well redevelopment events at 16 U.S. Department of Energy Office of Legacy Management (LM) sites, searching the literature for impacts of well redevelopment on groundwater sample quality, and—the focus of this report—evaluating the impacts of well redevelopment on field measurements and sample analytical results. Study Catalyst Monitoring well redevelopment, the surging or high-volume pumping of a well to loosen and remove accumulated sediment and biological build-up from a well, is considered an element of monitoring well maintenance that is implemented periodically during the lifetime of the well to mitigate its gradual deterioration. Well redevelopment has been conducted fairly routinely at a few LM sites in the western United States (e.g., the Grand Junction office site and the Gunnison processing site in Colorado), but at most other sites in this region it is not a routine practice. Also, until recently (2014–2015), there had been no specific criteria for implementing well redevelopment, and documentation of redevelopment events has been inconsistent. A catalyst for this evaluation was the self-identification of these inconsistencies by the Legacy Management Support contractor. As a result, in early 2015 Environmental Monitoring Operations (EMO) staff began collecting and documenting additional field measurements during well redevelopment events. In late 2015, AS&T staff undertook an independent internal evaluation of EMO's well redevelopment records and corresponding pre- and post-well-redevelopment groundwater analytical results. Study Findings Although literature discussions parallel the prevailing industry-wide assumption that well redevelopment is necessary to increase production or to extend the life of a well, no data in the literature indicate that redevelopment affects chemical signatures in monitoring wells. The comprehensive evaluation undertaken for this study also yielded no evidence that redevelopment has any quantifiable or predictable effect on groundwater sample quality. Both short-term and long-term changes in groundwater chemistry were assessed relative to preceding and subsequent well redevelopment events. Although short-term changes in specific conductance or contaminant concentrations likely attributable to well redevelopment were found at some sites, these cases were limited to a small subset of wells in which chemical stratification had been observed. Redevelopment causes mixing of the well water, resulting in short-term impacts, but not in a consistent direction. Long-term groundwater concentration trends of uranium, the primary contaminant of concern at most LM Uranium Mill Tailings Radiation Control Act (UMTRCA) sites, were evaluated for all 16 sites addressed in this study. Based on the data evaluated, there are no apparent impacts of well redevelopment on uranium trends. In most cases where deviations in trends were found, these could be attributed to water level fluctuations or other factors. A few exceptions were found where spikes or marked decreases in uranium concentrations could potentially be related to the preceding well redevelopment, but apparent impacts were neither predictable nor quantifiable. Summary and Recommendations A catalyst for this project was a concern that there was a need for strict criteria for a program-wide approach to well redevelopment at LM sites. There was also an implicit question as to whether well redevelopment was a necessary practice that was being overlooked at some sites. The primary objective of this study was to determine if there are significant differences in laboratory analytical results between pre- and post-redevelopment groundwater samples. Results of this evaluation indicate that this is not the case—groundwater concentrations of uranium, the primary contaminant of concern at most LM UMTRCA sites, generally remained unchanged pre- and post-well-redevelopment. The literature supports redevelopment of monitoring and municipal wells if signs of reduced productivity, biofouling, sediment buildup, or other conditions potentially affecting long-term well integrity are observed. In these cases, use of a downhole camera to examine the condition of the well screen and casing may be useful. However, based on the data sets examined for this study, there is no evidence that well redevelopment is needed in order to obtain samples that have the same chemical concentrations as those in the groundwater. To conclusively demonstrate that point—that is, to define chemical effects—the underlying mechanisms have to be understood. For example, if biofouling is observed in a well and is considered a potential cause of spurious or invalid chemical data, appropriate hypothesis-testing ethodology should be used to test the validity of this claim. Until late 2014, the onset of this project, there was no standard procedure for documenting well redevelopment events; some (perhaps many) had not been captured in the historical record. EMO has made notable progress in this regard since 2015, having established a format for documenting well redevelopment events and associated field measurements, as well as a data repository for capturing those records. This policy should be continued to ensure that all well redevelopment events and associated field observations are recorded and easily tracked.

54 ENVIRONMENTAL SCIENCES↗

Extreme-scale Algorithms and Solver Resilience

A widening gap exists between the peak performance of high-performance computers and the performance achieved by complex applications running on these platforms. Over the next decade, extreme-scale systems will present major new challenges to algorithm development that could amplify this mismatch in such a way that it prevents the productive use of future DOE Leadership computers due to the following; Extreme levels of parallelism due to multicore processors; An increase in system fault rates requiring algorithms to be resilient beyond just checkpoint/restart; Complex memory hierarchies and costly data movement in both energy and performance; Heterogeneous system architectures (mixing CPUs, GPUs, etc.); and Conflicting goals of performance, resilience, and power requirements.

97 MATHEMATICS AND COMPUTING↗

Visualizing Macro-Dataflow Graph Final Report CRADA No. TSB-0725-93

The goal of this collaborative effort was to develop a data-flow graphics tool (DFG) to visualize the execution of macro-dataflow graphs. LSI incorporated DFG into their graphic user interface to support parallel code development_ and text handling for natural language applications. The CRADA applied LLNL' s expertise in high-performance parallel programming systems based on the dataflow paradigm.

97 MATHEMATICS AND COMPUTING↗

VTK-m User's Guide (V.1.8)

Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction. VTK-m simplifies the development of parallel scientific visualization algorithms by providing a framework of supporting functionality that allows developers to focus on visualization operations. Additionally, VTK-m provides data abstractions not provided by other libraries that make code written in VTK-m more versatile.

97 MATHEMATICS AND COMPUTING↗

Search for the Muon EDM at Muon $g-2$

After 6 years of taking data, the Muon $g-2$ Experiment measured the anomalous magnetic moment of the muon $a_μ$ to a final precision of 127 ppb. In parallel to this analysis, it is possible to perform a measurement of the muon electric dipole moment (EDM) using the straw tracker detectors. In the Standard Model (SM) EDMs are predicted to be vanishingly small. A non-zero muon EDM would constitute physics beyond the SM (BSM) and be a source of charge-parity violation. The current limit on the muon EDM was set at the predecessor experiment at Brookhaven National Laboratory, giving $|d_\mu|<1.8\times10^{-19}\ e\cdot$cm Fermilab aims to improve this by an order of magnitude, which will help to constrain BSM theories. This poster will cover the importance, methodology, and status of this measurement.

Bailey, Lucy [University Coll. London]↗

Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR

Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.

99 GENERAL AND MISCELLANEOUS↗

Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR

Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

HOMMEXX 1.0: a performance-portable atmospheric dynamical core for the Energy Exascale Earth System Model

Abstract. We present an architecture-portable and performant implementation of the atmospheric dynamical core (High-Order Methods Modeling Environment, HOMME) of the Energy Exascale Earth System Model (E3SM). The original Fortran implementation is highly performant and scalable on conventional architectures using the Message Passing Interface(MPI) and Open MultiProcessor (OpenMP) programming models.We rewrite the model in C++ and use the Kokkos library to express on-node parallelism in a largely architecture-independent implementation. Kokkos provides an abstraction of a compute node or device,layout-polymorphic multidimensional arrays, and parallel execution constructs. The new implementation achieves the same or better performance on conventional multicore computers and is portable to GPUs. We present performance data for the original and new implementations on multiple platforms, on up to 5400 compute nodes, and study several aspects of the single- and multi-node performance characteristics of the new implementation on conventional CPU (e.g., Intel Xeon), many core CPU (e.g., Intel Xeon Phi Knights Landing),and Nvidia V100 GPU.

58 GEOSCIENCES↗

A Case Study of LLVM-Based Analysis for Optimizing SIMD Code Generation

This paper presents a methodology for using LLVM-based tools to tune the DCA++ (dynamical cluster approximation) application that targets the new ARM A64FX processor. The goal is to describe the changes required for the new architecture and generate efficient single instruction/multiple data (SIMD) instructions that target the new Scalable Vector Extension instruction set. During manual tuning, the authors used the LLVM tools to improve code parallelization by using OpenMP SIMD, refactored the code and applied transformation that enabled SIMD optimizations, and ensured that the correct libraries were used to achieve optimal performance. By applying these code changes, code speed was increased by 1.98× and 78 GFlops were achieved on the A64FX processor. The authors aim to automatize parts of the efforts in the OpenMP Advisor tool, which is built on top of existing and newly introduced LLVM tooling.

Huber, Joseph↗

Transport Estimations of Final State Interaction Effects on Short-range Correlation Studies Using the $(e,e&#x27;p)$ and $(e,e&#x27;pp)$ Reactions

Short range correlated (SRC) nucleon-nucleon pairs in nuclei are typically studied using measurements of electron-induced hard nucleon-knockout reactions (e.g. $(e,e'p)$ and $(e,e'pN)$), where the kinematics of the knocked-out nucleons are used to infer their initial state prior to the interaction. The validity of this inference relies on our understanding of the scattering reaction, most importantly how rescattering of the detected nucleons (final state interactions or FSI) distort their kinematical distributions. Recent SRC measurements on medium to heavy nuclei have been performed at high-$x_B$ (i.e., anti-parallel kinematics) where calculations of light nuclei indicate that such distortion effects are small. Here we study the impact of FSI on recent $^{12}$C$(e,e'p)$ and $^{12}$C$(e,e'pp)$ measurements using a transport approach. We find that while FSI can significantly distort the measured kinematical distributions of SRC breakup events, selecting high-$x_B$ anti-parallel events strongly suppresses such distortions. In addition, including the effects of FSI improves the agreement between Generalized Contact Formalism-based calculations and data and can help identify those observables that have minimal sensitivity to FSI effects. This result helps confirm the interpretation of experimental data in terms of initial-state momentum distributions and provides a new tool for the study of SRCs using lepton-scattering reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Portable Parallel Algorithms and Frameworks for Exascale Graph Analytics

Graphs (or networks) are a tool used to model the interactions among various entities. Efficiently processing large graphs has recently attracted significant attention due to the applications of graphs in various domains, such as biology, chemistry, and cyber-security. Analyzing the structure and properties of these graphs is an important component of many scientific computing pipelines. With the explosion in the volume of data, graphs have become very large and can contain hundreds of billions of vertices and trillions of edges. Therefore, it is crucial to develop high-performance methods to enable graph analysis to be done quickly and energy-efficiently. Furthermore, these solutions should be highly parallel in order to take advantage of modern parallel machines. However, designing efficient solutions is not enough. With the wide variety of computing environments available, each with different programmability and performance characteristics, it is necessary to develop solutions that are portable in terms of both performance (i.e., provide theoretical guarantees) and programmability (i.e., provide high level abstractions).

97 MATHEMATICS AND COMPUTING↗

District heating utilizing waste heat of a data center: High-temperature heat pumps

Data centers are energy-intensive facilities with substantial low-grade waste heat. High-temperature heat pumps can be critical in boosting the data center’s waste heat for district heating, improving the system-level energy efficiency of data centers, and reducing CO 2 emissions in district heating. This study built thermodynamic models to assess high-temperature heat pumps with six configurations using low global warming potential refrigerants to supply heat up to 120 °C. The heat pump configurations include single-stage or two-stage cycles with advanced components, such as internal heat exchanger, economizer, flash tank, or parallel compressor. The refrigerants include R1234ze(Z), R1233ed(E), R1224yd(Z), R600, and R600a, and R245fa is used as a reference. A case study was carried out to recover the waste heat from the Frontier high-performance computing data center and provide hot water for district heating at the US Department of Energy’s Oak Ridge National Laboratory campus. The optimized performance of high-temperature heat pumps is characterized with various effectiveness of internal heat exchangers, and the operating parameters of economizer or flash tank, as well as their combination. The results show that the configurations of two-stage cycles with internal heat exchanger + flash tank and internal heat exchanger + economizer/parallel-compressor provide the highest coefficient of performance under scenarios of the maximum allowable value and a fixed value (0.3) of the internal heat exchangers’ effectiveness, respectively. R1234ze(Z) and R600a are the most promising refrigerants, considering trade-offs between the coefficient of performance and the volumetric heating capacity. The single-stage cycle with internal heat exchanger + economizer/parallel-compressor using R1234ze(Z) is recommended for utilizing Fronter’s waste heat in district heating. A one mega-watt high-temperature heat pump will reduce 33,100–33,200 metric tons of CO2 emission annually, corresponding to 85.4 %–85.6 % of equivalent CO2 emissions from natural gas boilers. Here, this study provides good guidelines for designing and deploying high-temperature heat pumps to support sustainable data centers and decarbonize district heating in the US.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Young Galaxy Candidates in the Hubble Frontier Fields. IV. MACS J1149.5+2223

We search for high-redshift dropout galaxies behind the Hubble Frontier Fields (HFF) galaxy cluster MACS J1149.5+2223, a powerful cosmic lens that has revealed a number of unique objects in its field. Using the deep images from the Hubble and Spitzer space telescopes, we find 11 galaxies at z > 7 in the MACS J1149.5+2223 cluster field, and 11 in its parallel field. The high-redshift nature of the bright z ≃ 9.6 galaxy MACS1149-JD, previously reported by Zheng et al., is further supported by non-detection in the extremely deep optical images from the HFF campaign. With the new photometry, the best photometric redshift solution for MACS1149-JD reduces slightly to z = 9.44 ± 0.12. The young galaxy has an estimated stellar mass of (7±2)×10{sup 8} M{sub ⊙}, and was formed at z=13.2{sub −1.6}{sup +1.9} when the universe was ≈300 Myr old. Data available for the first four HFF clusters have already enabled us to find faint galaxies to an intrinsic magnitude of M{sub UV}≃−15.5, approximately a factor of 10 deeper than the parallel fields.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental and modeling studies of IPDI-based polyurea elastomers – The role of hard segment fraction

Segmented polyureas (PUa) are industrially important class of polymers widely used in coatings, sealant, and adhesive applications. Here, in this paper, we report synthesis, characterization, and modeling of Isophorone Diisocyanate-Diethyl-Toluene-Diamine-Polyether amine (IPDI-DETDA-PO PUa) with varied hard segment contents of 20, 30, and 40 weight percent. For each of the three materials, we study its structure and phase behavior using FTIR, DSC, and TEM, and clearly show the presence of microphase separation between the hard and soft nanodomains. We then measure the linear viscoelastic response of the PUa-s using DMA (frequency sweeps at multiple temperatures). The DMA data are shown to obey the time-temperature superposition. Finally, we develop a new micromechanical model describing the DMA results; the model describes a phase-separated PUa as two “Fractional-order Maxwell gels” branches, connected in parallel, with the first FMG branch representing the “percolated hard phase" and the second one modeling the “filled soft phase". In agreement with the earlier thermodynamic theories, the volume-fraction of the percolated hard phase is related to the hard segment weight-fraction (HSWF), defined as the combined mass of IPDI and DETDA normalized to the total mass of the polymer. The data and model are found to be in a good qualitative and quantitative agreement.

36 MATERIALS SCIENCE↗