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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 1,153 records · Page 64

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DOE OSTI2023

Extending OpenSHMEM with Aggregation Support for Improved Message Rate Performance

OpenSHMEM is a highly efficient one-sided communication API that implements the PGAS parallel programming model, and is known for its low latency communication operations that can be mapped efficiently to RDMA capabilities of network interconnects. However, applications that use OpenSHMEM can be sensitive to point-to-point message rates, as many-to-many communication patterns can generate large amounts of small messages which tend to overwhelm network hardware that has predominantly been optimised for bandwidth over message rate. Additionally, many important emerging classes of problems such as data analytics are similarly troublesome for the irregular access patterns they employ. Message aggregation strategies have been proven to significantly enhance network performance, but their implementation often involves complex restructuring of user code, making them unwieldy. This paper shows how to combine the best qualities of message aggregation within the communication model of OpenSHMEM such that applications with small and irregular access patterns can improve network performance while maintaining their algorithmic simplicity. We do this by providing a path to a message aggregation framework called conveyors through a minimally intrusive OpenSHMEM extension introducing aggregation contexts that fit more naturally to the OpenSHMEM atomics, gets, and puts model. We test these extensions using four of the bale 3.0 applications which contain essential many-to-many access patterns to show how they can produce performance improvements of up to 65×.

Welch, Aaron↗

DOE OSTI2015

Accelerating k-NN Algorithm with Hybrid MPI and OpenSHMEM

Machine Learning algorithms are benefiting from the continuous improvement of programming models, including MPI, MapReduce and PGAS. k-Nearest Neighbors (k-NN) algorithm is a widely used machine learning algorithm, applied to supervised learning tasks such as classification. Several parallel implementations of k-NN have been proposed in the literature and practice. However, on high-performance computing systems with high-speed interconnects, it is important to further accelerate existing designs of the k-NN algorithm through taking advantage of scalable programming models. To improve the performance of k-NN on large-scale environment with InfiniBand network, this paper proposes several alternative hybrid MPI+OpenSHMEM designs and performs a systemic evaluation and analysis on typical workloads. The hybrid designs leverage the one-sided memory access to better overlap communication with computation than the existing pure MPI design, and propose better schemes for efficient buffer management. The implementation based on k-NN program from MaTEx with MVAPICH2-X (Unified MPI+PGAS Communication Runtime over InfiniBand) shows up to 9.0% time reduction for training KDD Cup 2010 workload over 512 cores, and 27.6% time reduction for small workload with balanced communication and computation. Experiments of running with varied number of cores show that our design can maintain good scalability.

Lin, Jian↗

DOE OSTI2022

-Omics potential of in vitro skin models for radiation exposure

There is a growing need to uncover biomarkers of ionizing radiation exposure that leads to a better understanding of how exposures take place, including dose type, rate, and time since exposure. As one of the first organs to be exposed to external sources of ionizing radiation, skin is uniquely positioned in terms of model systems for radiation exposure study. The simultaneous evolution of both MS-based -omics studies, as well as in vitro 3D skin models, has created the ability to develop a far more holistic understanding of how ionizing radiation affects the many interconnected biomolecular processes that occur in human skin. However, there are a limited number of studies describing the biomolecular consequences of low-dose ionizing radiation to the skin. As a result, this review will seek to explore the current state-of-the-art technology in terms of in vitro 3D skin models, as well as track the trajectory of MS-based -omics techniques and their application to ionizing radiation research, specifically, the search for biomarkers within the low-dose range.

3D tissue model↗

DOE OSTI2016

Possible role of interference, protein noise, and sink effects in nonphotochemical quenching in photosynthetic complexes

Here, we analyze theoretically a simple and consistent quantum mechanical model that reveals the possible role of quantum interference, protein noise, and sink effects in the nonphotochemical quenching (NPQ) in light-harvesting complexes (LHCs). The model consists of a network of five interconnected sites (excitonic states of light-sensitive molecules) responsible for the NPQ mechanism. The model also includes the “damaging” and the dissipative channels. The damaging channel is responsible for production of singlet oxygen and other destructive outcomes. In this model, both damaging and “dissipative” charge transfer channels are described by discrete electron energy levels attached to their sinks, that mimic the continuum part of electron energy spectrum. All five excitonic sites interact with the protein environment that is modeled using a stochastic process. Our approach allowed us to derive the exact and closed system of linear ordinary differential equations for the reduced density matrix and its first momentums. Moreover, these equations are solved numerically including for strong interactions between the light-sensitive molecules and protein environment. As an example, we apply our model to demonstrate possible contributions of quantum interference, protein noise, and sink effects in the NPQ mechanism in the CP29 minor LHC. The numerical simulations show that using proper combination of quantum interference effects, properties of noise, and sinks, one can significantly suppress the damaging channel. Finally, our findings demonstrate the possible role of interference, protein noise, and sink effects for modeling, engineering, and optimizing the performance of the NPQ processes in both natural and artificial light-harvesting complexes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Quantifying the influence of natural climate variability on in situ measurements of seasonal total and extreme daily precipitation

Abstract While various studies explore the relationship between individual sources of climate variability and extreme precipitation, there is a need for improved understanding of how these physical phenomena simultaneously influence precipitation in the observational record across the contiguous United States. In this work, we introduce a single framework for characterizing the historical signal (anthropogenic forcing) and noise (natural variability) in seasonal mean and extreme precipitation. An important aspect of our analysis is that we simultaneously isolate the individual effects of seven modes of variability while explicitly controlling for joint inter-mode relationships. Our method utilizes a spatial statistical component that uses in situ measurements to resolve relationships to their native scales; furthermore, we use a data-driven procedure to robustly determine statistical significance. In Part I of this work we focus on natural climate variability: detection is mostly limited to DJF and SON for the modes of variability considered, with the El Niño/Southern Oscillation, the Pacific–North American pattern, and the North Atlantic Oscillation exhibiting the largest influence. Across all climate indices considered, the signals are larger and can be detected more clearly for seasonal total versus extreme precipitation. We are able to detect at least some significant relationships in all seasons in spite of extremely large (> 95%) background variability in both mean and extreme precipitation. Furthermore, we specifically quantify how the spatial aspect of our analysis reduces uncertainty and increases detection of statistical significance while also discovering results that quantify the complex interconnected relationships between climate drivers and seasonal precipitation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

The Tunisian Jurassic aquifer in the North African Sahara aquifer system: information derived from two-dimensional seismic reflection and well logs

Southern Tunisia is an arid area where socio-economic activities are dependent on groundwater resources. The presented study aims to better characterize the Jurassic aquifer based on geological and geophysical data, with a view to develop a rational exploitation program. Well logs are used to precisely determine the position and composition of the known Jurassic aquifer layers and to identify others able to produce good quality water. The logs show that limestones, sandstones and dolomites of the Krachoua, Techout and Foum Tataouine formations are the main Jurassic aquifers. Sixty-eight seismic-reflection sections are integrated within this study. The interpolation between the interpreted sections leads to the construction of isochronous isopach maps and geoseismic sections, and their analysis finds that compressive and extensive tectonic deformations have influenced the Jurassic aquifer geometry. The Hercynian orogeny phase manifestation is remarkable in that there are several stratigraphic gaps in the Jurassic sequence. The E–W, NW–SE, and NNW–SSE accidents, reactivated in normal faults since the Permian to Lower Cretaceous epochs, have generated the structures found in the Jurassic series, such as subsided and raised blocks. Their syn-sedimentary activity has controlled the thickness and facies of these series. The Cretaceous, Tortonian and Post-Villafranchian compressions are responsible for the Jurassic-deposits folding in some localities. The highlighted tectonic and sedimentary events have an important impact on the Jurassic aquifer function by favoring the Jurassic aquifer interconnections and their connections with the Triassic and Cretaceous permeable series.

58 GEOSCIENCES↗

DOE OSTI2018

Modeling groundwater/surface-water interactions in an Alpine valley (the Aosta Plain, NW Italy): the effect of groundwater abstraction on surface-water resources

A groundwater flow model of the Alpine valley aquifer in the Aosta Plain (NW Italy) showed that well pumping can induce river streamflow depletions as a function of well location. Analysis of the water budget showed that ∼80% of the water pumped during 2 years by a selected well in the downstream area comes from the baseflow of the main river discharge. Alluvial aquifers hosted in Alpine valleys fall within a particular hydrogeological context where groundwater/surface-water relationships change from upstream to downstream as well as seasonally. A transient groundwater model using MODFLOW2005 and the Streamflow-Routing (SFR2) Package is here presented, aimed at investigating water exchanges between the main regional river (Dora Baltea River, a left-hand tributary of the Po River), its tributaries and the underlying shallow aquifer, which is affected by seasonal oscillations. The three-dimensional distribution of the hydraulic conductivity of the aquifer was obtained by means of a specific coding system within the database TANGRAM. Both head and flux targets were used to perform the model calibration using PEST. Results showed that the fluctuations of the water table play an important role in groundwater/surface-water interconnections. In upstream areas, groundwater is recharged by water leaking through the riverbed and the well abstraction component of the water budget changes as a function of the hydraulic conditions of the aquifer. In downstream areas, groundwater is drained by the river and most of the water pumped by wells comes from the base flow component of the river discharge.

58 GEOSCIENCES↗

DOE OSTI2021

Integrated energy-water-land nexus planning in the Colorado River Basin (Argentina)

Integrated energy-water-land (EWL) planning promotes synergies and avoids conflicts in ways that sector-specific planning approaches cannot. Many important decisions that influence emerging EWL nexus issues are implemented at regional (e.g., large river basin, electricity grid) and sub-regional (e.g., small river basin, irrigation district) scales. However, actual implementation of integrated planning at these scales has been limited. Simply collecting and visualizing data and interconnections across multiple sectors and sub-regions in a single modeling platform is a unique endeavor in many regions. This study introduces and applies a novel approach to linking together multiple sub-regions in a single platform to characterize and visualize EWL resource use, EWL system linkages within and among sub-regions, and the EWL nexus implications of future policies and investments. This integrated planning methodology is applied in the water-stressed Colorado River Basin in Argentina, which is facing increasing demands for agricultural and fossil fuel commodities. Guided by stakeholders, this study seeks to inform basin planning activities by characterizing and visualizing (1) the basin’s current state of EWL resources, (2) the linkages between sectors within and among basin sub-regions, and (3) the EWL nexus implications of planned future agricultural development activities. Results show that water scarcity, driven in part by human demands that have historically reached 60% of total surface water supply, poses a substantial constraint to economic development in the basin. The Colorado basin has the potential to serve as a testbed for crafting novel and generalizable sub-regional EWL planning approaches capable of informing the EWL planning dialogue globally.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Efficiency and Risk of Investments in Nuclear Power

It is shown that together with the reduced cost of electricity it is also necessary to examine other efficiency criteria for investments in NPP – the internal profitability norm and the discounted payback time of investments – and their impact on the primary profitability criterion of an NPP project – the pure discounted income. The analytical interconnection of the pure discounted income, internal profitability norm of a project, and the discounted payback time of investments, which is obtained using an exponential discounting function for the expected cash flows, is shown. The requirements of the engineering and economic parameters of NPP that make NPP competitive on the world market are formulated from an analysis of the interrelation of investment efficiency criteria. The NPP investment risk evaluated by the Monte Carlo method with prescribed uncertainty of prediction of cash flows during construction and operation of NPP is presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

BioEarth: Envisioning and developing a new regional earth system model to inform natural and agricultural resource management

As managers of agricultural and natural resources are confronted with uncertainties in global change impacts, the complexities associated with the interconnected cycling of nitrogen, carbon, and water present daunting management challenges. Existing models provide detailed information on specific sub-systems (land, air, water, economics, etc). An increasing awareness of the unintended consequences of management decisions resulting from interconnectedness of these sub-systems, however, necessitates coupled regional earth system models (EaSMs). Decision makers’ needs and priorities can be integrated into the model design and development processes to enhance decision-making relevance and "usability" of EaSMs. BioEarth is a current research initiative with a focus on the U.S. Pacific Northwest region that explores the coupling of multiple stand-alone EaSMs to generate usable information for resource decision-making. Direct engagement between model developers and non-academic stakeholders involved in resource and environmental management decisions throughout the model development process is a critical component of this effort. BioEarth utilizes a "bottom-up" approach, upscaling a catchment-scale model to basin and regional scales, as opposed to the "top-down" approach of downscaling global models utilized by most other EaSM efforts. This paper describes the BioEarth initiative and highlights opportunities and challenges associated with coupling multiple stand-alone models to generate usable information for agricultural and natural resource decision-making.

agricultural↗

DOE OSTI2019

In situ TEM investigation of self-ion irradiation of nanoporous gold

The ability of nanoporous metals to avoid accumulation of damage under ion beam irradiation has been the focus of several studies in recent years. The width of the interconnected ligaments forming the network structure typically is on the order of tens of nanometers. In such confined volumes with high amounts of surface area, the accumulation of damage (defects such as stacking-fault tetrahedra and dislocation loops) can be mitigated via migration and annihilation of these defects at the free surfaces. Here, in situ characterization of radiation damage in nanoporous gold (np-Au) was performed in the transmission electron microscope. Several samples with varying average ligament size were subjected to gold ion beams having three different energies (10 MeV, 1.7 MeV and 46 keV). The inherent radiation tolerance of np-Au was directly observed in real time, for all ion beam conditions, and the degree of ion-induced damage accumulation in np-Au ligaments is discussed here.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Valuing Maintenance Strategies for Fusion Plants as Part of a Future Electricity Grid

Scheduled maintenance is likely to be lengthy and therefore consequential for the economics of fusion power plants. The maintenance strategy that maximizes the economic value of a plant depends on internal factors such as the cost and durability of the replaceable components, the frequency and duration of the maintenance blocks, and the external factors of the electricity system in which the plant operates. Here, this paper examines the value of fusion power plants with various maintenance properties in a decarbonized United States Eastern Interconnection circa 2050. Seasonal variations in electricity supply and demand mean that certain times of year, particularly spring to early summer, are best for scheduled maintenance. Seasonality has two important consequences. First, the value of a plant can be 15% higher than what one would naively expect if value were directly proportional to its availability. Second, in some cases, replacing fractions of a component in shorter maintenance blocks spread over multiple years is better than replacing it all at once during a longer outage, even through the overall availability of the plant is lower in the former scenario.

power plant, maintenance, seasonality, electricity↗

DOE OSTI2024

End-to-End Modeling of the TDM Readout System for CMB-S4

The CMB-S4 experiment is developing next-generation ground-based microwave telescopes to observe the cosmic microwave background with unprecedented sensitivity. This will require an order of magnitude increase in the 100-mK detector count, which, in turn, increases the demands on the readout system. The CMB-S4 readout will use time-division multiplexing (TDM), taking advantage of faster switches and amplifiers in order to achieve an increased multiplexing factor. To facilitate the design of the new readout system, we have developed a model that predicts the bandwidth and noise performance of this circuitry and its interconnections. This is then used to set requirements on individual components in order to meet the performance necessary for the full system. Here, we present an overview of this model and compare the model results to the performance of both legacy and prototype readout hardware.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

A New Protocol for Efficient and High Yield Preparation of Nanocellulose from Elaeis guineensis Biomass: A Response Surface Methodology (RSM) Study

An innovative system for isolating nanocellulose was established that uses Ni(NO{sub 3}){sub 2} transition metal salt without the assistance of mechanical disintegrations or mineral acid and was compared with the classic production by tedious acid hydrolysis. Optimization study on Ni(II)-catalyzed hydrolysis of cellulose isolated from oil palm (Elaeis guineensis) empty fruit bunch (OPEFB) towards nanocellulose yield was investigated. Response surface methodology-central composite design was used to design and optimize the experiments with three operating parameters: pH of Ni(NO{sub 3}){sub 2} (pH 2–4), reaction time (20‒100 min) and reaction temperature (25‒65 °C). The present study indicated that the nanocellulose yield as high as 81.37% was achieved under hydrolysis conditions of pH 3, 58 °C within 58 min. At the optimum conditions, the OPEFB derived nanocellulose rendered high crystallinity of 91.1% and excellent thermal stability of 341 °C. Evidence of the successful isolation of nanocellulose was proven by HRTEM observation revealing fibrils formed the long and interconnected network-like structure with the average width of 41.1 ± 1.6 nm and several micrometers in length, which resulted in high aspect ratio. Thus, the obtained nanocellulose via Ni(II)-catalyzed hydrolysis has numerous potential applications and represent a green alternative for the treatment of OPEFB. This study provided a facile high yield procedure for the production of nanocellulose with similar characteristics to traditional nanocellulose, which was significant to the commercialization of nanocellulose.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2018

Integration of a SMES–Battery-Based Hybrid Energy Storage System into Microgrids

The future trends of the industry require major renovations in the infrastructure of transmission, distribution, and storing of generated energy. With the increased use of renewable energy across the globe, energy storage (ES) systems have started to play a prominent role in shaping the future of the ES market. However, because of the uneven distribution of the renewable energy throughout the world, more emphasis must be made to the integration of power grids with the ES devices to utilize the excess power more effectively. In this paper, a study is performed regarding the integration of a hybrid system, consisting of a lithium-ion battery (LIB) and superconducting magnetic energy storage (SMES), into an interconnected microgrid operation. The structure of a microgrid is explained by analyzing the selected battery (LIB) and voltage source converter (VSC)-based SMES unit via MATLAB & Simulink. Finally, the voltage waveforms are compared and discussed in detail.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Magnetic Mesocellular Foam Functionalized by Curcumin for Potential Multifunctional Therapeutics

The study investigates curcumin/SPIONs hybridized mesocellular foam type silica for potential dual purpose of drug delivery (curcumin) and magnetic resonance imaging. Magnetization capability and curcumin release was assessed for different structured silica such as spherical silica (Q-10), Si-MCM-41, Si-SBA-16, mesocellular foam (MSU-Foam), Si-KIT-6, ULPFDU-12, and silicalite. The phase, textural, and morphological variation was systematically scrutinized using various physico-chemical techniques. Ten weight percent SPIONs loading was found to generate magnetically active SPIONs in the following order: Q-10 (1.44 emu/g) > SBA-16 (0.80 emu/g) > MSU-Foam (0.24 emu/g) > Si-MCM-41 (0.07 emu/g) > Si-KIT-6 (0.07 emu/g) > silicalite (0.08 emu/g), respectively. The iron oxide dispersion, specific surface area, and porosity play a major role in various structured silicas. MSU-Foam with wormhole structure showed highest specific surface area occupation of SPIONs (73%). The presence of interconnected porosity of foam tends to generate external agglomeration of SPIONs (7–18 nm) at the pore surface contributing to expansion of pore sizes from 16.4 to 40.2 nm. The SPIONs over spherical micron-sized silica Q-10 showed the formation of large nanoclusters (10–25 nm). Thirty to 390 μg/ml of curcumin was loaded over silica and SPIONs/silica structured hybrid, and drug release was studied at pH 5.6 for 72 h. SPIONs/MSU-Foam with less magnetization showed the highest cumulative curcumin release (53.2%), while Q-10 spherical silica with high magnetization property showed less cumulative release of curcumin (12%).

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2019

Linear downscaling from MODIS to landsat: connecting landscape composition with ecosystem functions

The open and free access to Landsat and MODIS products have greatly promoted scientific investigations on spatiotemporal change in land mosaics and ecosystem functions at landscape to regional scales. Unfortunately, there is a major mismatch in spatial resolution between MODIS products at coarser resolution (≥ 250 m) and landscape structure based on classified Landsat scenes at finer resolution (30 m). Based on practical needs for downscaling popular MODIS products at 500 m resolution to match classified land cover at Landsat 30 m resolution, we proposed an innovative modelling approach so that landscape structure and ecosystem functions can be directly studied for their interconnections. As a proof-of-concept of our downscaling approach, we selected the watershed of the Kalamazoo River in southwestern Michigan, USA as the testbed. MODIS products for three fundamental variables of ecosystem function are downscaled to ensure the approach can be extrapolated to multiple functional measurements. They are blue-sky albedo (0–1), evapotranspiration (ET, mm), and gross primary production (GPP, Mg C ha -1 year -1 ). An object-oriented classification of Landsat images in 2011 was processed to generate a land cover map for landscape structure. The downscaling model was tested for the five Level IV ecoregions within the watershed. We achieved satisfactory downscaling models for albedo, ET, and GPP for all five ecoregions. The adjusted R2 was > 0.995 for albedo, 0.915–0.997 for ET, and 0.902–0.962 for GPP. The estimated albedo, ET, and GPP values appear different in the region. The estimated albedo was the lowest for water (0.076–0.107) and the highest for cropland (0.166–0.172). Estimated ET was the highest for the built-up cover type (525.6–687.1 mm) and the lowest for forest (209.7–459.7 mm). The estimated GPP was the highest for the build-up cover type (8.65–9.85 Mg C ha -1 year -1 ) and the lowest for forest. Estimated values for albedo, ET, and GPP appear reasonable for their ranges in the Kalamazoo River region and are consistent with values reported in the literature. Despite these promising results, the downscaling approach relies on strong assumptions and can carry substantial uncertainty. Finally, it is only valid at a spatial scale where similar climate, soil, and landforms exist (i.e., values in isolated patches of the same cover type are similar). Plausibly, the uncertainties associated with each estimation, as well as the model residuals, can be explored for other pattern-process relationships within the landscape.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Multilevel Graph Partitioning for Three-Dimensional Discrete Fracture Network Flow Simulations

We present a topology-based method for mesh-partitioning in three-dimensional discrete fracture network (DFN) simulations that takes advantage of the intrinsic multi-level nature of a DFN. DFN models are used to simulate flow and transport through low-permeability fractured media in the subsurface by explicitly representing fractures as discrete entities. The governing equations for flow and transport are numerically integrated on computational meshes generated on the interconnected fracture networks. Modern high-fidelity DFN simulations require high-performance computing on multiple processors where performance and scalability depends partially on obtaining a high-quality partition of the mesh to balance work-loads and minimize communication across all processors. The discrete structure of a DFN naturally lends itself to various graph representations, which can be thought of as coarse-scale representations of the computational mesh. Using this concept, we develop two applications of the multilevel graph partitioning algorithm to partition the mesh of a DFN. In the first, we project a partition of the graph based on the DFN topology onto the mesh of the DFN and in the second, this DFN-based projection is used as the initial condition for further partitioning refinement of the mesh. We compare the performance of these methods with standard multi-level graph partitioning using graph-based metrics (cut, imbalance, partitioning time), computational-based metrics (FLOPS, iterations, solver time), and total run time. The DFN-based and the mesh-based partitioning methods are comparable in terms of the graph-based metrics, but the time required to obtain the partition is several orders of magnitude faster using the DFN-based partitions. The computation-based metrics show comparable performance between both methods so, in combination, the DFN-based partitions are several orders of magnitude faster than the mesh-based partition. Furthermore, the method which uses the DFN-partition solution as the initial condition of the mesh partition provided cut and imbalance values that were close to the mesh-based partition but in a fraction of the time. In turn, this hybrid method outperformed both of the other methods in terms of the total run time.

58 GEOSCIENCES↗