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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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At least 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A chemical kinetic mechanism for combustion and flame propagation of CH 2 F 2 /O 2 /N 2 mixtures

Here in this work, we compiled and evaluated rate expressions for reactions relevant to the decomposition and combustion of CH 2 F 2 (difluoromethane, refrigerant R-32) in CH 2 F 2 /O 2 /N 2 flames. The recommended values have been used in premixed flame calculations, reported elsewhere, to model experimentally derived burning velocities determined using a constant volume spherical flame method. In this work, we also provide a detailed description of the reaction pathways for decomposition and combustion of CH 2 F 2 . This work is part of a larger effort at NIST to characterize and predict the flammability of new refrigerant working fluids and their blends for consideration as replacements of current refrigerants with high global warming potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

MacroSheds: A synthesis of long-term biogeochemical, hydroclimatic, and geospatial data from small watershed ecosystem studies

The US Federal Government supports hundreds of watershed monitoring efforts from which solute fluxes can be calculated. Although instrumentation and methods vary between studies, the data collected and their motivating questions are remarkably similar. Nevertheless, little effort toward their compilation has previously been made. The MacroSheds project has developed a future-friendly system for harmonizing daily time series of streamflow, precipitation, and solute chemistry from 169+ watersheds, and supplementing each with watershed attributes. Here, we describe the breadth of MacroSheds data, and detail the steps involved in rendering each data product. We provide recommendations for usage and discuss when other datasets might be more suitable. The MacroSheds dataset is an unprecedented resource for watershed science, and for hydrology, as a small-watershed supplement to existing collections of streamflow predictors, like CAMELS and GAGES-II. The MacroSheds platform includes a web dashboard for visualization and an R package for data access and analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Winter-Rearing Temperature Affects Growth Profiles, Age of Maturation, and Smolt-to-Adult Returns for Yearling Summer Chinook Salmon in the Upper Columbia River Basin

Abstract We assessed the effects of rearing conditions in four hatchery programs from the upper Columbia River basin on the survival and demographics of yearling summer Chinook Salmon Oncorhynchus tshawytscha over four release years. Juveniles from each hatchery program were initially reared at Eastbank Hatchery near Wenatchee, Washington, (which uses groundwater for fish rearing) and experienced similar rearing temperatures until their first autumn in culture. Fish that were to be used for two of the programs were subsequently transferred to surface water acclimation sites, where they were reared until release the following spring (surface water winter rearing). Fish to be used for the other two programs were overwintered at the Eastbank Hatchery and then transferred to their acclimation and release sites 1 to 2 months before spring release (groundwater winter rearing). Fish from the two rearing strategies experienced contrasting temperature profiles, which in turn affected winter growth, age at maturation, and smolt-to-adult survival (SAS). Overall, the two release groups that were overwintered in colder surface water experienced reduced winter growth, reduced minijack rate, and smaller size at release, but achieved a two- to threefold higher SAS than did the two release groups overwintered in warmer groundwater at Eastbank Hatchery. In addition, based on migration data compiled from fish tagged with PIT tags, smaller juveniles tended to mature at older age-classes than did larger smolts. We concluded that rearing yearling hatchery summer Chinook Salmon under more natural thermal regimes (surface water) may result in the return of larger, older adults that have a higher survival rate than would fish reared under constant or less natural thermal regimes (ground water). These results highlight the importance of the hatchery-rearing environment in shaping the survival and life history of summer Chinook Salmon juveniles released into the Columbia River basin.

Harstad, Deborah L.↗
DOE OSTI2021

Passage and survival of juvenile salmonid smolts through dams in the Columbia and Snake Rivers, 2010-2018

Minimizing the mortality and migration time of juvenile salmon (smolts) passing dams is a longstanding objective in the pursuit of salmon recovery in the Columbia River Basin. We compiled and analyzed 40 juvenile salmonid acoustic-tag studies that were performed at seven of the eight hydroelectric projects in the Federal Columbia River Power System between 2010–2018. We found the utilization of non-turbine routes decreased monotonically moving downstream from the Snake River to the mainstem Columbia River and that route usage and associated mortality differed substantially between the dams in the two rivers. Spillways were the predominant passage route at mainstem Columbia River dams, whereas passage through surface weirs and juvenile bypass systems was more common and generally provided higher survival at Snake River dams. Stocks exhibited variable passage behaviors and mortalities, with the estimated probability of an individual passing through all eight dams in the system and never using a turbine route at 0.31, 0.47, and 0.60 for subyearling Chinook Salmon, yearling Chinook Salmon, and steelhead, respectively. Although subyearling Chinook Salmon were generally more likely to pass through a turbine route, they also experienced less turbine-associated mortality than other stocks, especially steelhead. Notably, the proportion of smolts passing through the spillway relative to the amount of water released was lowest at Bonneville Dam, the largest and lowermost dam in the system. Bonneville Dam also stood out as having the highest proportion of smolts passing through turbines, but the lowest rate of turbine-associated mortality.

Skalski, J R.↗
DOE OSTI2022

Retracted: Monitoring Hatchery Broodstock Composition and Genetic Variation of Spring/Summer Chinook Salmon in the Columbia River Basin with Multigeneration Pedigrees

Abstract Hatchery production of Chinook Salmon Oncorhynchus tshawytscha in the Columbia River basin comprises most of the anadromous salmonid production in this region. Hatchery facilities and programs serve to mitigate for impacts to salmonids due to the construction and operation of hydropower dams and habitat impacts from development in addition to the conservation and restoration of natural populations. A genetic method referred to as parentage-based tagging (PBT) enables highly reliable detection of hatchery-origin fish and inference of multigeneration pedigrees. This study compiles 11 years of PBT data from nearly 125,000 interior stream-type Chinook Salmon from 24 spawning hatcheries located in tributaries of the mid- and upper Columbia River as well as the Salmon, Clearwater, and Grande Ronde River subbasins. Multigenerational pedigrees allowed investigation of the proportion of natural- and hatchery-origin broodstock (pNOB and pHOB, respectively) for each hatchery and enumeration of the scale of production between segregated and integrated programs. We then compared how pHOB and the scale of production influenced the number of stray fish observed, genetic diversity, relatedness, and age-class compositions within broodstocks. Over 91.0% of hatchery broodstock could be assigned back to their parents, and there was an overall rate of less than 1.0% of broodstock that were unintentionally incorporated into nonnatal hatchery programs. We evaluated 14 segregated programs with 0.0–10.0% pNOB, 7 intermediate programs (10.1–50.0% pNOB), and 3 integrated programs (>50.0% pNOB). There was no correlation between the scale of production or pNOB with the level of genetic diversity, but as production size increased, so did the effective number of breeders. This study demonstrates the utility of PBT as a monitoring tool for hatchery broodstocks, and results suggest that segregated and integrated programs have tradeoffs that generally align with their intended broodstock management purpose of providing fish for harvest and/or fish for supplementation or reintroduction.

Horn, Rebekah L.↗
DOE OSTI2023

Multigeneration Pedigrees to Monitor Hatchery Broodstock Composition and Genetic Variation of Spring/Summer Chinook Salmon in the Columbia River Basin

Abstract Hatchery production of Chinook Salmon Oncorhynchus tshawytscha in the Columbia River basin comprises most of the anadromous salmonid production in this region. Hatchery facilities and programs serve to mitigate for impacts to salmonids due to the construction and operation of hydropower dams and habitat impacts from development in addition to the conservation and restoration of natural populations. A genetic method referred to as parentage-based tagging (PBT) enables highly reliable detection of hatchery-origin fish and inference of multigeneration pedigrees. This study compiles 11 years of PBT data from nearly 125,000 interior stream-type Chinook Salmon from 24 spawning hatcheries located on tributaries of the mid- and upper Columbia River and in the Salmon, Clearwater, and Grande Ronde River subbasins. Multigenerational pedigrees allowed for investigation of the proportions of natural- and hatchery-origin broodstock (pNOB and pHOB, respectively) for each hatchery and enumeration of the scale of production between segregated and integrated programs. We then compared how pHOB and the scale of production influenced the number of stray fish observed, genetic diversity, relatedness, and age-class compositions within broodstocks. Over 91.0% of hatchery broodstock could be assigned back to their parents, and overall less than 1.0% of broodstock consisted of fish that were unintentionally incorporated into nonnatal hatchery programs. We evaluated 11 segregated programs with 0.0–10.0% pNOB, 9 intermediate programs (10.1–50.0% pNOB), and 3 integrated programs (>50.0% pNOB). There was no correlation between the scale of production or pNOB with the level of genetic diversity, but as production size increased, so did the effective number of breeders. This study demonstrates the utility of PBT as a monitoring tool for hatchery broodstocks, and results suggest that segregated and integrated programs have tradeoffs that generally align with their intended broodstock management purpose of providing fish for harvest and/or fish for supplementation or reintroduction.

Horn, Rebekah L.↗
DOE OSTI2017

Proteomic analysis of hair shafts from monozygotic twins: Expression profiles and genetically variant peptides

Forensic association of hair shaft evidence with individuals is currently assessed by comparing mitochondrial DNA haplotypes of reference and casework samples, primarily for exclusionary purposes. Present work tests and validates more recent proteomic approaches to extract quantitative transcriptional and genetic information from hair samples of monozygotic twin pairs, which would be predicted to partition away from unrelated individuals if the datasets contain identifying information. Protein expression profiles and polymorphic, genetically variant hair peptides were generated from ten pairs of monozygotic twins. Profiling using the protein tryptic digests revealed that samples from identical twins had typically an order of magnitude fewer protein expression differences than unrelated individuals. The data did not indicate that the degree of difference within twin pairs increased with age. In parallel, data from the digests were used to detect genetically variant peptides that result from common nonsynonymous single nucleotide polymorphisms in genes expressed in the hair follicle. Compilation of the variants permitted sorting of the samples by hierarchical clustering, permitting accurate matching of twin pairs. The results demonstrate that genetic differences are detectable by proteomic methods and provide a framework for developing quantitative statistical estimates of personal identification that increase the value of hair shaft evidence.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

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↗
DOE OSTI2018

OpenMP in VASP: Threading and SIMD

Abstract The Vienna Ab initio Simulation Package (VASP) is a widely used electronic structure code that originally exploits process‐level parallelism through the Message Passing Interface (MPI) for work distribution within and across nodes. Architectural changes of modern parallel processors urge programmers to address thread‐ and data‐level parallelism as well to benefit most from the available compute resources within a node. We describe for VASP how to approach for an MPI + OpenMP parallelization including data‐level parallelism through OpenMP SIMD constructs together with a generic high‐level vector coding scheme. We can demonstrate an improved scalability of VASP and more than 20% gain over the MPI‐only version as well as a 2× increased performance of collective operations using the multiple‐endpoint MPI feature. The high‐level vector coding scheme applied to VASP's general gradient approximation routine gives up 9× performance gain on AVX512 platforms with the Intel compiler.

Wende, Florian↗
DOE OSTI2021

The soil health assessment protocol and evaluation applied to soil organic carbon

The concept of soil health has evolved over the past several decades, recognizing that dynamic soil property response to management and land use is highly dependent on site-specific factors that must be considered when interpreting soil health measurements. Initially, the Soil Management Assessment Framework (SMAF) and Comprehensive Assessment of Soil Health (CASH) were developed and used globally for scoring soil health indicators. However, both SMAF and CASH frameworks were developed using a relatively small dataset and their interpretation curves were not validated at the nationwide scale. Expanding upon these concepts, we propose the Soil Health Assessment Protocol and Evaluation (SHAPE) tool. The SHAPE was developed using 14,680 soil organic C (SOC) observations from across the United States, and accounts for edaphic and climate factors at the continental scale. Data were compiled from the literature, the Cornell Soil Health Laboratory, and the Kellogg Soil Survey Laboratory. In this approach, scoring curves are Bayesian model-based estimates of the conditional cumulative distribution function (CDF) for defined soil peer groups reflecting five soil texture and five soil suborder classes adjusted for mean annual temperature and precipitation. Specifically, SHAPE produces scores between 0 and 1 (0–100%) for measured SOC values that reflect the quantile or position within the conditional CDF along with measures of uncertainty. Herein, we focus on development of the SHAPE scoring curve for SOC with our case studies. SHAPE is a flexible, quantitative tool that provides a regionally relevant interpretation of this key soil health indicator.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

How Useful are Conventional I–Vs for Performance Calibration of Single- and Two-Junction Perovskite Solar Cells? A Statistical Analysis of Performance Data on ≈200 Cells from 30 Global Sources

As perovskite photovoltaics (PV) advance from the laboratory to commercial prototypes, their accurate and reliable performance testing is becoming increasingly important. The well-documented dynamic response of perovskite solar cells to an external applied voltage has led to the development of steady-state performance measurement methods; however, these methods have not been widely adopted by the perovskite PV community. A key reason for this is that steady-state measurement methods take tens of minutes to complete, as opposed to conventional "fast" current-voltage (I-V) measurements usually lasting a few seconds. Fast I-Vs arise from a snapshot, almost always not a steady-state condition of the device; however, given their widespread use, the question arises: how do performance parameters of perovskite PV compare when measured with fast I-V and with a steady-state method? Results compiled from approximately 200 perovskite PV cells, including single junction, and two-terminal perovskite-perovskite and perovskite-Si tandems, show that fast I-Vs can provide a useful measure of the open-circuit voltage of the devices, while the short-circuit current and the overall efficiency can be widely misestimated. Here, the implications of these findings on performance testing protocols are discussed and possible options for fast and accurate testing of perovskite PV are proposed.

14 SOLAR ENERGY↗
DOE OSTI2022

Automatic inspection of program state in an uncooperative environment

Abstract The program state is formed by the values that the program manipulates. These values are stored in the stack, in the heap, or in static memory. The ability to inspect the program state is useful as a debugging or as a verification aid. Yet, there exists no general technique to insert inspection points in type‐unsafe languages such as C or C++. The difficulty comes from the need to traverse the memory graph in a so‐called uncooperative environment. In this article, we propose an automatic technique to deal with this problem. We introduce a static code transformation approach that inserts in a program the instrumentation necessary to report its internal state. Our technique has been implemented in LLVM. It is possible to adjust the granularity of inspection points trading precision for performance. In this article, we demonstrate how to use inspection points to debug compiler optimizations; to augment benchmarks with verification code; and to visualize data structures.

Magalhães, José Wesley de Souza↗
DOE OSTI2019

Snakes as Novel Biomarkers of Mercury Contamination: A Review

Mercury (Hg) is an environmental contaminant that has been reported in many wildlife species worldwide. The organic form of Hg bioaccumulates in higher trophic levels, and thus, long-lived predators are at risk for higher Hg exposure. Although ecological risk assessments for contaminants such as Hg include pertinent receptor species, snakes are rarely considered, despite their high trophic status and potential to accumulate high levels of Hg. Our current knowledge of these reptiles suggests that snakes may be useful novel biomarkers to monitor contaminated environments. The few available studies show that snakes can bioaccumulate significant amounts of Hg. However, little is known about the role of snakes in Hg transport in the environment or the individual-level effects of Hg exposure in this group of reptiles. This is a major concern, as snakes often serve as important prey for a variety of taxa within ecosystems (including humans). Here, we compiled and analyzed the results of over 30 studies to discuss the impact of Hg on snakes, specifically sources of exposure, bioaccumulation, health consequences, and specific scientific knowledge gaps regarding these moderate to high trophic predators.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2019

CAASCADE: A System for Static Analysis of HPC Software Application Portfolios

With the increasing complexity of upcoming HPC systems, so-called “co-design” efforts to develop the hardware and applications in concert for these systems also become more challenging. It is currently difficult to gather information about the usage of programming model features, libraries, and data structure considerations in a quantitative way across a variety of applications, and this information is needed to prioritize development efforts in systems software and hardware optimizations. In this paper we propose CAASCADE, a system that can harvest this information in an automatic way in production HPC environments, and we show some early results from a prototype of the system based on GNU compilers and a MySQL database.

Lopez, Graham↗
DOE OSTI2022

MAPredict: Static Analysis Driven Memory Access Prediction Framework for Modern CPUs

Application memory access patterns are crucial in deciding how much traffic is served by the cache and forwarded to the dynamic random-access memory (DRAM). However, predicting such memory traffic is difficult because of the interplay of prefetchers, compilers, parallel execution, and innovations in manufacturer-specific micro-architectures. This research introduced MAPredict, a static analysis-driven framework that addresses these challenges to predict last-level cache (LLC)-DRAM traffic. By exploring and analyzing the behavior of modern Intel processors, MAPredict formulates cache-aware analytical models. MAPredict invokes these models to predict LLC-DRAM traffic by combining the application model, machine model, and user-provided hints to capture dynamic information. MAPredict successfully predicts LLC-DRAM traffic for different regular access patterns and provides the means to combine static and empirical observations for irregular access patterns. Evaluating 130 workloads from six applications on recent Intel micro-architectures, MAPredict yielded an average accuracy of 99% for streaming, 91% for strided, and 92% for stencil patterns. By coupling static and empirical methods, up to 97% average accuracy was obtained for random access patterns on different micro-architectures.

Monil, M. A. H.↗
DOE OSTI2022

Developing an ELM Ecosystem Dynamics Model on GPU with OpenACC

Porting a complex scientific code, such as the E3SM land model (ELM), onto a new computing architecture is challenging. The paper presents design strategies and technical approaches to develop an ELM ecosystem dynamics model with compiler directives (OpenACC) on NVIDIA GPUs. The code has been refactored with advanced OpenACC features (such as deepcopy and routine directives) to reduce memory consumption and to increase the levels of parallelism through parallel loop reconstruction and new data structures. As a result, the optimized parallel implementation achieved more than a 140-time speedup (50 ms vs 7600 ms), compared to a naive implementation that uses OpenACC routine directive and parallelizes the code across existing loops on a single NVIDIA V100. On a fully loaded computing node with 44 CPUs and 6 GPUs, the code achieved over a 3.0-times speedup, compared to the original code on the CPU. Furthermore, the memory footprint of the optimized parallel implementation is 300 MB, which is around 15% of the 2.15 GB of memory consumed by a naive implementation. This study is the first effort to develop the ELM component on GPUs efficiently to support ultra-high-resolution land simulations at continental scales.

Schwartz, Peter↗
DOE OSTI2023

Developing Ultrahigh-Resolution E3SM Land Model for GPU Systems

Designing and refactoring complex scientific code, such as the E3SM land model (ELM), for new computing architectures is challenging. This paper presents design strategies and technical approaches to develop a data-oriented, GPU-ready ELM model using compiler directives (OpenACC/OpenMP). We first analyze the datatypes and processes in the original ELM code. Then we present design considerations for ultrahigh-resolution ELM (uELM) development for massive GPU systems. These techniques include the global data-oriented simulation workflow, domain partition, code porting and data copy, memory reduction, parallel loop restructure and flattening, and race condition detection. We implemented the first version of uELM using OpenACC targeting the NVidia GPUs in the Summit supercomputer at Oak Ridge National Laboratory. During the implementation, we developed a software tool (named SPEL) to facilitate code generation, verification, and performance tuning using these techniques. The first uELM implementation for Nvidia GPUs on Summit delivered promising results: 1) over 98% of the ELM code was automatically generated and tuned by scripts. Most ELM modules had better computational performances than the original ELM code for CPUs. The GPU-ready uELM is more scalable than the CPU code on fully-loaded Summit nodes. Example profiling results from several modules are also presented to illustrate the performance improvements and race condition detection. The lessons learned and toolkit developed in the study are also suitable for further uELM deployment using OpenMP on the first US exascale computer, Frontier, equipped with AMD CPUs and GPUs.

Schwartz, Peter↗
DOE OSTI2015

Roofline model toolkit: A practical tool for architectural and program analysis

We present preliminary results of the Roofline Toolkit for multicore, many core, and accelerated architectures. This paper focuses on the processor architecture characterization engine, a collection of portable instrumented micro benchmarks implemented with Message Passing Interface (MPI), and OpenMP used to express thread-level parallelism. These benchmarks are specialized to quantify the behavior of different architectural features. Compared to previous work on performance characterization, these microbenchmarks focus on capturing the performance of each level of the memory hierarchy, along with thread-level parallelism, instruction-level parallelism and explicit SIMD parallelism, measured in the context of the compilers and run-time environments. We also measure sustained PCIe throughput with four GPU memory managed mechanisms. By combining results from the architecture characterization with the Roofline model based solely on architectural specifications, this work offers insights for performance prediction of current and future architectures and their software systems. To that end, we instrument three applications and plot their resultant performance on the corresponding Roofline model when run on a Blue Gene/Q architecture.

97 MATHEMATICS AND COMPUTING↗