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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 73 records · Page 4

Battle of the Defaults: Extracting Performance Characteristics of HDF5 under Production Load

Popular parallel I/O libraries, such as HDF5, provide tuning parameters to obtain superior performance. However, the selection of effective parameters on production systems is complex due to the interdependence of I/O software and file system layers. Hence, application developers typically use the default parameters and often experience poor I/O performance. This work conducts a benchmarking-based analysis on the HDF5 behaviors with a wide variety of I/O patterns to extract performance characteristics under the production workload. To make the analysis well controlled, we exercise I/O benchmarks on POSIX-IO, MPI-IO, and HDF5 using the same I/O patterns and in the same jobs. To address high performance variability in production environments, we repeat the benchmarks across I/O patterns, storage devices, and time intervals. Based on the results, we identified consistent HDF5 behaviors that appropriate configurations and operations on dataset layout and file-metadata placement can improve performance significantly. We apply our findings and evaluate the tuned I/O library on two supercomputers: Summit and Cori. The results show that our tuned parameters can achieve more than 10× I/O performance speedup than that with default parameters on both systems, suggesting the effectiveness, stability, and generality of our solution.

Xie, Bing↗

Impact of Random and Periodic Surface Roughness on P- and L-band Radiometry

L-band passive microwave remote sensing is currently considered a robust technique for global monitoring of soil moisture. However, soil roughness complicates the relationship between brightness temperature and soil moisture, with current soil moisture retrieval algorithms typically assuming a constant roughness parameter globally, leading to a potential degradation in retrieval accuracy. This current investigation established a tower-based experiment site in Victoria, Australia. P-band (~40-cm wavelength/0.75 GHz) was compared with L-band (~21-cm wavelength/1.41 GHz) over random and periodic soil surfaces to determine if there is an improvement in brightness temperature simulation and soil moisture retrieval accuracy for bare soil conditions, due to reduced roughness impact when using a longer wavelength. The results showed that P-band was less impacted by random and periodic roughness than L-band, evidenced by more comparable statistics across different roughness conditions. The roughness effect from smooth surfaces (e.g., 0.8-cm root-mean-square height and 11.1-cm correlation length) could be potentially ignored at both P- and L-band with satisfactory simulation and retrieval performance. However, for rougher soil (e.g., 1.6-cm root-mean-square height and 6.8-cm correlation length), the roughness impact needed to be accounted for at both P- and L-band, with P-band observations showing less impact than L-band. Moreover, a sinusoidal soil surface with 10-cm amplitude and 80-cm period substantially impacted the brightness temperature simulation and soil moisture retrieval at both P- and L-band, which could not be fully accounted for using the SMOS and SMAP default roughness parameters. However, when retrieving roughness parameters along with soil moisture, the ubRMSE at P-band over periodic soil was improved to a similar level (0.01-0.02 m3/m3) as that of smooth flat soil (0.01 m3/m3), while L-band showed higher ubRMSE over the periodic soil (0.03-0.04 m3/m3) than over smooth flat soil (0.01 m3/m3). Accordingly, periodic roughness effects were reduced by using observations at P-band.

Soil roughness↗

Build Rate Optimization for Powder Bed Fusion

The authors previously proposed a geometrically based model to predict the volume fraction of lack-of-fusion porosity in parts produced by powder bed fusion. To test this model, AlSi10Mg cubes with varying hatch spacing and layer thickness were printed in this work. Bulk densities of samples were measured with the Archimedes method and agree well with model predictions. The model was also validated by results from the literature on additively manufactured PA-12 polymer parts. Quantitative prediction of conditions that lead to part porosity allows considerable improvement in the volumetric build rate, compared with the default processing parameters provided by the equipment supplier. Nearly fully dense AlSi10Mg parts (> 99.5% dense) were fabricated with a build rate double that for standard conditions. Some melt-pool variability and large changes in hatch rotation angle do not affect the overall volume fraction of residual porosity.

36 MATERIALS SCIENCE↗

Clear-Sky Detection Using Time-Averaged, Tilted-Plane Data

A method is presented to detect clear-sky periods for plane-of-array, time-averaged irradiance data that is based on the algorithm originally described by Reno and Hansen. We show this new method improves the state-of-the-art by providing accurate detection at longer data intervals, and by detecting clear periods in plane-of-array data, which is novel. We illustrate how accurate determination of clear-sky conditions helps to eliminate data noise and bias in the assessment of long-term performance of PV plants.

clear-sky conditions↗

Proton-induced reactions on Fe, Cu, and Ti from threshold to 55 MeV

Theoretical models often differ significantly from measured data in their predictions of the magnitude of nuclear reactions that produce radionuclides for medical, research, and national security applications. In this paper, we compare a priori predictions from several state-of-the-art reaction modeling packages (CoH, EMPIRE, TALYS, and ALICE) to cross sections measured using the stacked-target activation method. The experiment was performed using the Lawrence Berkeley National Laboratory 88-Inch Cyclotron with beams of 25 and 55 MeV protons on a stack of iron, copper, and titanium foils. Thirty-four excitation functions were measured from 4–55 MeV, including the first measurement of the independent cross sections for nat Fe(p,x) 49,51 Cr, 51,52m,52g,56 Mn, and 58m,58g Co. All of the models, using default input parameters to assess their predictive capabilities, failed to reproduce the isomer-to-ground state ratio for reaction channels at compound and pre-compound energies, suggesting issues in modeling the deposition or distribution of angular momentum in these residual nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Evaluating the E3SM land model version 0 (ELMv0) at a temperate forest site using flux and soil water measurements

Accurate simulations of soil respiration and carbondioxide ( CO 2 ) fluxes are critical to project global biogeochemicalcycles and the magnitude of carbon–climate feedbacks in Earth system models(ESMs). Currently, soil respiration is not represented well in ESMs, and fewstudies have attempted to address this deficiency. In this study, weevaluated the simulation of soil respiration in the Energy Exascale EarthSystem Model (E3SM) land model version 0 (ELMv0) using long-termobservations from the Missouri Ozark AmeriFlux (MOFLUX) forest site in thecentral US. Simulations using the default model parameters underestimatedsoil water potential (SWP) during peak growing seasons and overestimated SWPduring non-growing seasons and consequently underestimated annual soilrespiration and gross primary production (GPP). A site-specific soil waterretention curve greatly improved model simulations of SWP, GPP, and soilrespiration. However, the model continued to underestimate the seasonal andinterannual variabilities and the impact of the extreme drought in 2012.Potential reasons may include inadequate representations of vegetationmortality, the soil moisture function, and the dynamics of microbialorganisms and soil macroinvertebrates. Our results indicate that thesimulations of mean annual GPP and soil respiration can be significantlyimproved by better model representations of the soil water retention curve.

54 ENVIRONMENTAL SCIENCES↗

Evaluating the E3SM Land Model at a temperate forest site using flux and soil water measurements

Accurate simulations of soil respiration and carbon dioxide (CO 2 ) efflux are critical to project global biogeochemical cycles and the magnitude of carbon (C) feedbacks to climate change in Earth system models (ESMs). Currently, soil respiration is not represented well in ESMs, and few studies have attempted to address this deficiency. In this study, we evaluated the simulation of soil respiration in the Energy Exascale Earth System Model (E3SM) using long-term observations from the Missouri Ozark AmeriFlux (MOFLUX) forest site in the central U.S. Simulations using the default model parameters significantly underestimated annual soil respiration and gross primary production, while underestimating soil water potential during growing seasons and overestimating it during non-growing seasons. A site-specific soil water retention curve significantly improved modelled soil water potential, gross primary production and soil respiration. However, the model continued to underestimate soil respiration during peak growing seasons, and overestimate soil respiration during non-peak growing seasons. One potential reason may be that the current model does not adequately represent the seasonal cycle of microbial organisms and soil macroinvertebrates, which have high biomass and activity during peak growing seasons and tend to be dormant during non-growing seasons. In conclusion, our results confirm that modelling soil respiration can be significantly improved by better model representations of the soil water retention curve.

54 ENVIRONMENTAL SCIENCES↗

A proposed group management scheme for XTP multicast

The purpose of a group management scheme is to enable its associated transfer layer protocol to be responsive to user determined reliability requirements for multicasting. Group management (GM) must assist the client process in coordinating multicast group membership, allow the user to express the subset of the multicast group that a particular multicast distribution must reach in order to be successful (reliable), and provide the transfer layer protocol with the group membership information necessary to guarantee delivery to this subset. GM provides services and mechanisms that respond to the need of the client process or process level management protocols to coordinate, modify, and determine attributes of the multicast group, especially membership. XTP GM provides a link between process groups and their multicast groups by maintaining a group membership database that identifies members in a name space understood by the underlying transfer layer protocol. Other attributes of the multicast group useful to both the client process and the data transfer protocol may be stored in the database. Examples include the relative dispersion, most recent update, and default delivery parameters of a group.

Dempsey, Bert J.↗

Stone Content Influence on Land Surface Model Simulation of Soil Moisture and Evapotranspiration at Reynolds Creek Watershed

Considerable advancement in spatiotemporal resolution of remote sensing and ground-based measurements has enabled refinement of parameters used in land surface models for simulating surface water fluxes. However, land surface modeling capabilities are still inadequate for accurate representation of subsurface properties and processes, which continue to limit the accuracy of land surface model simulation. Our objective in this study was to examine the performance of the variously parameterized Noah-Multiphysics (Noah-MP) land surface model and to improve simulations of evapotranspiration (ET) and soil moisture dynamics in stony soils using verification from eddy covariance ET and in-situ soil moisture data. Meteorological and eddy covariance data from the Lower Sheep sub-catchment within the Reynolds Creek Experimental Watershed in Southwestern Idaho were employed to drive Noah-MP and to assess simulation results. We evaluated the performance of Noah-MP considering four different scenarios: (1) A one-layer soil profile with Noah-MP default soil hydraulic parameters, followed by five-layer soil profiles using -(2) Noah-MP default soil hydraulic parameters -(3) soil hydraulic parameters derived from a pedotransfer function using field observations, and -(4) hydraulic parameters from (3) which also accounted for stone content in each layer. Each modeling experiment was forced with the same set of initial conditions, atmospheric input and vegetation parameters. Our results indicated that enhanced representation of soil profile properties and stone content information noticeably improve the Noah-MP land surface model simulation of soil moisture content and evapotranspiration.

Land surface models, Soil hydrology, Noah-MP, Evap↗

Development of High Resolution Land Surface Parameters for the Community Land Model

There is a growing need for high-resolution land surface parameters as land surface models are being applied at increasingly higher spatial resolution offline as well as in regional and global models. The default land surface parameters for the most recent version of the Community Land Model (i.e. CLM 4.0) are at 0.5° or coarser resolutions, released with the Community Earth System Model (CESM). Plant Functional Types (PFTs), vegetation properties such as Leaf Area Index (LAI), Stem Area Index (SAI), and non-vegetated land covers were developed using remotely sensed datasets retrieved in late 1990’s and the beginning of this century. In this study, we developed new land surface parameters for CLM 4.0, specifically PFTs, LAI, SAI and non-vegetated land cover composition, at 0.05° resolution globally based on the most recent MODIS land cover and improved MODIS LAI products. Compared to the current CLM 4.0 parameters, the new parameters produced a decreased coverage by bare soil and trees, but an increased coverage by shrub, grass, and cropland. The new parameters result in a decrease in global seasonal LAI, with the biggest decrease in boreal forests; however, the new parameters also show a large increase in LAI in tropical forest. Differences between the new and the current parameters are mainly caused by changes in the sources of remotely sensed data and the representation of land cover in the source data. Advantages and disadvantages of each dataset were discussed in order to provide guidance on the use of the data. The new high-resolution land surface parameters have been used in a coupled land-atmosphere model (WRF-CLM) applied to the western U.S. to demonstrate their use in high-resolution modeling. A remapping method from the latitude/longitude grid of the CLM data to the WRF grids with map projection was also demonstrated. Future work will include global offline CLM simulations to examine the impacts of source data resolution and subsequent land parameter changes on simulated land surface processes.

Environmental Molecular Sciences Laboratory↗

Evaluating the Community Land Model (CLM4.5) at a coniferous forest site in northwestern United States using flux and carbon-isotope measurements

Droughts in the western United States are expected to intensify with climate change. Thus, an adequate representation of ecosystem response to water stress in land models is critical for predicting carbon dynamics. The goal of this study was to evaluate the performance of the Community Land Model (CLM) version 4.5 against observations at an old-growth coniferous forest site in the Pacific Northwest region of the United States (Wind River AmeriFlux site), characterized by a Mediterranean climate that subjects trees to water stress each summer. CLM was driven by site-observed meteorology and calibrated primarily using parameter values observed at the site or at similar stands in the region. Key model adjustments included parameters controlling specific leaf area and stomatal conductance. Default values of these parameters led to significant underestimation of gross primary production, overestimation of evapotranspiration, and consequently overestimation of photosynthetic 13 C discrimination, reflected in reduced 13 C: 12 C ratios of carbon fluxes and pools. Adjustments in soil hydraulic parameters within CLM were also critical, preventing significant underestimation of soil water content and unrealistic soil moisture stress during summer. After calibration, CLM was able to simulate energy and carbon fluxes, leaf area index, biomass stocks, and carbon isotope ratios of carbon fluxes and pools in reasonable agreement with site observations. Overall, the calibrated CLM was able to simulate the observed response of canopy conductance to atmospheric vapor pressure deficit (VPD) and soil water content, reasonably capturing the impact of water stress on ecosystem functioning. Both simulations and observations indicate that stomatal response from water stress at Wind River was primarily driven by VPD and not soil moisture. The calibration of the Ball–Berry stomatal conductance slope ( m bb ) at Wind River aligned with findings from recent CLM experiments at sites characterized by the same plant functional type (needleleaf evergreen temperate forest), despite significant differences in stand composition and age and climatology, suggesting that CLM could benefit from a revised m bb value of 6, rather than the default value of 9, for this plant functional type. Conversely, Wind River required a unique calibration of the hydrology submodel to simulate soil moisture, suggesting that the default hydrology has a more limited applicability. Here, this study demonstrates that carbon isotope data can be used to constrain stomatal conductance and intrinsic water use efficiency in CLM, as an alternative to eddy covariance flux measurements. It also demonstrates that carbon isotopes can expose structural weaknesses in the model and provide a key constraint that may guide future model development.

54 ENVIRONMENTAL SCIENCES↗

Characterizing uncertainty in Community Land Model version 5 hydrological applications in the United States

Abstract Land surface models such as the Community Land Model Version 5 (CLM5) are essential tools for simulating the behavior of the terrestrial system. Despite the extensive application of CLM5, limited attention has been paid to the underlying uncertainties associated with its hydrological parameters and how these uncertainties affect water resource applications. To address this long-standing issue, we use five meteorological datasets to conduct a comprehensive hydrological parameter uncertainty characterization of CLM5 over the hydroclimatic gradients of the conterminous United States. Key datasets produced from the uncertainty characterization experiment include: a benchmark dataset of CLM5 default hydrological performance, parameter sensitivities for 28 hydrological metrics, and large-ensemble outputs for CLM5 hydrological predictions. The presented datasets will assist CLM5 calibration and support broad applications, such as evaluating drought and flood vulnerabilities. The datasets can be used to identify the hydroclimatological conditions under which parametric uncertainties demonstrate substantial effects on hydrological predictions and clarify where further investigations are needed to understand how hydrological prediction uncertainties interact with other Earth system processes.

54 ENVIRONMENTAL SCIENCES↗

CLM5 CAMELS Basins Ensemble

Land surface models such as Community Land Model Version 5 (CLM5) are essential tools for simulating the behaviors of the terrestrial system. Despite the extensive application of CLM5, limited attention has been paid to the underlying uncertainties associated with its hydrologic parameters and the implications that these uncertainties have on water resources applications. To address this long-standing issue, we conduct a comprehensive hydrologic parameter uncertainty characterization (UC) of CLM5 over the hydroclimatic gradients of the Conterminous United States using five meteorological datasets. Key datasets produced from the UC experiment include a benchmark dataset of CLM5 default hydrological performance, parameter sensitivity identified for 28 hydrological metrics, and large ensemble outputs for hydrological predictions. The presented datasets can assist CLM5 calibration and to support broad applications such as evaluating vulnerabilities to droughts and floods. The dataset can be used to identify under what hydroclimate conditions parametric uncertainties demonstrate substantial effects on hydrological predictions and clarify where further investigations are needed to understand how land runoff uncertainties interact with other Earth system processes. Please refer to the included README.pdf for a description of the included files. Note that raw CLM5 model outputs for each forcing dataset are hosted on a Globus endpoint: https://app.globus.org/file-manager?destination_id=d22ef858-27b0-11ed-a910-fd3165076336.

Yan, Hongxiang↗

CLM5 CAMELS Basins Ensemble

Land surface models such as Community Land Model Version 5 (CLM5) are essential tools for simulating the behaviors of the terrestrial system. Despite the extensive application of CLM5, limited attention has been paid to the underlying uncertainties associated with its hydrologic parameters and the implications that these uncertainties have on water resources applications. To address this long-standing issue, we conduct a comprehensive hydrologic parameter uncertainty characterization (UC) of CLM5 over the hydroclimatic gradients of the Conterminous United States using five meteorological datasets. Key datasets produced from the UC experiment include a benchmark dataset of CLM5 default hydrological performance, parameter sensitivity identified for 28 hydrological metrics, and large ensemble outputs for hydrological predictions. The presented datasets can assist CLM5 calibration and to support broad applications such as evaluating vulnerabilities to droughts and floods. The dataset can be used to identify under what hydroclimate conditions parametric uncertainties demonstrate substantial effects on hydrological predictions and clarify where further investigations are needed to understand how land runoff uncertainties interact with other Earth system processes. Please refer to the README.pdf for a description of the included files. Note that raw CLM5 model outputs for each forcing dataset are hosted on a Globus endpoint: https://app.globus.org/file-manager?destination_id=d22ef858-27b0-11ed-a910-fd3165076336.

Yan, Hongxiang↗

C Namelist Facility

C Namelist Facility (CNL) is a package of software that supports the development of data-driven programs that utilize relatively free-form input files (e.g., text files) to control complex operations. The only comparable prior namelist facility is built into Fortran and does not support arrays or records. Newer computing languages, including C and Pascal, do not include built-in namelist facilities. A namelist facility enables a program to utilize relatively free-form input files that contain assignment statements that give values to variables. Variables to which values are not assigned in input files remain unchanged; therefore, it becomes possible to have default values set by static or dynamic initialization of values prior to namelist input and updating of values is optional. Because it is not required to include values of variables in namelist input files, new parameters can be added to evolving programs without rendering old namelist input files obsolete -- provided that the new parameters have useful default values. It should be possible to execute CNL in any operating system that supports the ANSI C programming language. It has been executed in several variants of Unix and in VxWorks.

Bon, Bruce↗

Inferring microbial co-occurrence networks from amplicon data: a systematic evaluation

Microbes commonly organize into communities consisting of hundreds of species involved in complex interactions with each other. 16S ribosomal RNA (16S rRNA) amplicon profiling provides snapshots that reveal the phylogenies and abundance profiles of these microbial communities. These snapshots, when collected from multiple samples, can reveal the co-occurrence of microbes, providing a glimpse into the network of associations in these communities. However, the inference of networks from 16S data involves numerous steps, each requiring specific tools and parameter choices. Moreover, the extent to which these steps affect the final network is still unclear. In this study, we perform a meticulous analysis of each step of a pipeline that can convert 16S sequencing data into a network of microbial associations. Through this process, we map how different choices of algorithms and parameters affect the co-occurrence network and identify the steps that contribute substantially to the variance. We further determine the tools and parameters that generate robust co-occurrence networks and develop consensus network algorithms based on benchmarks with mock and synthetic data sets. The Microbial Co-occurrence Network Explorer, or MiCoNE (available at https://github.com/segrelab/MiCoNE) follows these default tools and parameters and can help explore the outcome of these combinations of choices on the inferred networks. We envisage that this pipeline could be used for integrating multiple data sets and generating comparative analyses and consensus networks that can guide our understanding of microbial community assembly in different biomes.

16S rRNA↗

Optimizing Carbon Cycle Parameters Drastically Improves Terrestrial Biosphere Model Underestimates of Dryland Mean Net CO 2 Flux and its Inter-Annual Variability

Drylands occupy ~40% of the land surface and are thought to dominate global carbon (C) cycle inter-annual variability (IAV). Therefore, it is imperative that global terrestrial biosphere models (TBMs), which form the land component of IPCC earth system models, are able to accurately simulate dryland vegetation and biogeochemical processes. However, compared to more mesic ecosystems, TBMs have not been widely tested or optimized using in situ dryland CO 2 fluxes. Here, for this work, we address this gap using a Bayesian data assimilation system and 89 site-years of daily net ecosystem exchange (NEE) data from 12 southwest US Ameriflux sites to optimize the C cycle parameters of the ORCHIDEE TBM. The sites span high elevation forest ecosystems, which are a mean sink of C, and low elevation shrub and grass ecosystems that are either a mean C sink or “pivot” between an annual C sink and source. We find that using the default (prior) model parameters drastically underestimates both the mean annual NEE at the forested mean C sink sites and the NEE IAV across all sites. Our analysis demonstrated that optimizing phenology parameters are particularly useful in improving the model's ability to capture both the magnitude and sign of the NEE IAV. At the forest sites, optimizing C allocation, respiration, and biomass and soil C turnover parameters reduces the underestimate in simulated mean annual NEE. Our study demonstrates that all TBMs need to be calibrated for dryland ecosystems before they are used to determine dryland contributions to global C cycle variability and long-term carbon-climate feedbacks.

59 BASIC BIOLOGICAL SCIENCES↗

Polynomial Chaos–Based Bayesian Inference of K -Profile Parameterization in a General Circulation Model of the Tropical Pacific

The authors present a polynomial chaos (PC)–based Bayesian inference method for quantifying the uncertainties of the K-profile parameterization (KPP) within the MIT general circulation model (MITgcm) of the tropical Pacific. The inference of the uncertain parameters is based on a Markov chain Monte Carlo (MCMC) scheme that utilizes a newly formulated test statistic taking into account the different components representing the structures of turbulent mixing on both daily and seasonal time scales in addition to the data quality, and filters for the effects of parameter perturbations over those as a result of changes in the wind. To avoid the prohibitive computational cost of integrating the MITgcm model at each MCMC iteration, a surrogate model for the test statistic using the PC method is built. Because of the noise in the model predictions, a basis-pursuit-denoising (BPDN) compressed sensing approach is employed to determine the PC coefficients of a representative surrogate model. The PC surrogate is then used to evaluate the test statistic in the MCMC step for sampling the posterior of the uncertain parameters. Results of the posteriors indicate good agreement with the default values for two parameters of the KPP model, namely the critical bulk and gradient Richardson numbers; while the posteriors of the remaining parameters were barely informative.

54 ENVIRONMENTAL SCIENCES↗