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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Pd3Ag(111) as a Model System for Hydrogen Separation Membranes: Combined Effects of CO Adsorption and Surface Termination on the Activation of Molecular Hydrogen

Abstract The co-adsorption of hydrogen and carbon monoxide on Pd 3 Ag(111) alloy surfaces has been studied as a model system for Pd-Ag alloys in membrane and catalysis applications using periodic density functional theory calculations (PW91-GGA). We explored the effects of Pd–Ag surface composition, since segregation of silver towards and away from the surface has been suggested to explain the experimentally observed changes in H 2 activation, CO inhibition and reactivity. We found that CO pre-adsorbed on the surface weakens the adsorption of H on Pd 3 Ag(111) alloy surfaces irrespective of whether the surface termination corresponds to the bulk Pd 3 Ag composition, or is purely Pd-terminated. A higher coverage of H with CO present is obtained for the Pd-terminated surface; this surface also exhibits a larger range of chemical potentials for co-adsorbed hydrogen and CO. The barrier for H 2 activation increases with increasing CO coverage, but the surface composition has the largest impact on H 2 activation at intermediate CO coverage. The results imply that Pd-based membranes with typically ~ 23 wt% Ag are less prone to CO poisoning if the surface becomes Pd-terminated.

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

ENSO Diversity and the Simulation of Its Teleconnections to Winter Precipitation Extremes Over the US in High Resolution Earth System Models

Abstract Accounting for the diversity in El Niño Southern Oscillation (ENSO)'s spatial pattern, with the novel ENSO longitudinal index (ELI), we evaluate the simulation of its teleconnections to US winter precipitation extremes by seven global high‐resolution (HR) Earth System Models (ESM). Six (four) HR ESMs simulate the observed increase in precipitation extremes over Southwest US (Southeast US) during ELI‐defined El Niño events better than their low‐resolution counterparts, which are low‐biased. The stronger ENSO‐dependence over the Southwest US and Southeast US in those models is associated with an improved simulation of moisture flux into the regions and/or storm track activity there. HR ESMs, however, generally overestimate the increase in precipitation extremes over the Pacific‐Northwest during La Niña events. Model bias there is associated with bias in moisture transport into the region during La Niña events, which is amplified by the enhanced vertical mass fluxes in HR.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Toward Energy-Efficient HPC: Insights from Power Profiling a Cloud-Resolving Earth System Model

Power is a fundamental constraint as supercomputing advances to exascale. Efficient operation within strict power budgets requires application-aware power management based on a detailed understanding of application-level power behavior. This work analyzes the Energy Exascale Earth System Model (E3SM) atmosphere component, SCREAM, on Perlmutter (NERSC) and Frontier (OLCF). We characterize power variation across inputs, concurrency levels, and power caps, evaluate the energy impact of code optimizations, and attribute energy within the code using a newly developed GPU energy model. Results show that SCREAM’s peak power remains stable during its core execution phase and decreases gradually as concurrency increases. Power capping experiments reveal a performance–energy "sweet spot". On Perlmutter, limiting GPU power to 50% of thermal design power (TDP) achieves up to 15% energy savings with a 7% performance penalty. On Frontier, a 40% TDP cap yields up to 10% energy savings with less than 10% performance loss. Code optimizations reduce SCREAM energy by shortening run time without increasing power. Modeling reveals a critical insight: data movement accounts for approximately 70% of SCREAM’s GPU energy. This fundamentally shifts the optimization focus from FLOPS to data transfer reduction for this class of applications, offering the most impactful strategy for improving energy efficiency. This work establishes a foundation for practical, application-aware power management at exascale.

Zhao, Zhengji [Lawrence Berkeley National Laborato↗
DOE OSTI2018

Dynamic System Models for Informing Licensing and Safeguards Investigations of Molten Salt Reactors

Fluid-fueled molten salt nuclear reactors (MSRs) have recently gained significant interest. As with all reactors, modeling and simulation are key factors for advanced reactor design and licensing and will be required for the deployment of MSRs. However, there are significant gaps between simulation capabilities and system behavior for MSRs. This paper presents a system model of an MSR based on the Molten Salt Demonstration Reactor. The model includes important physics specific to MSRs, such as fission product and tritium transport, as well as reactivity feedback.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Description and evaluation of tropospheric chemistry and aerosols in the Community Earth System Model (CESM1.2)

The Community Atmosphere Model (CAM), version 5, is now coupled to extensive tropospheric and stratospheric chemistry, called CAM5-chem, and is available in addition to CAM4-chem in the Community Earth System Model (CESM) version 1.2. The main focus of this paper is to compare the performance of configurations with internally derived "free running" (FR) meteorology and "specified dynamics" (SD) against observations from surface, aircraft, and satellite, as well as understand the origin of the identified differences. We focus on the representation of aerosols and chemistry. All model configurations reproduce tropospheric ozone for most regions based on in situ and satellite observations. However, shortcomings exist in the representation of ozone precursors and aerosols. Tropospheric ozone in all model configurations agrees for the most part with ozonesondes and satellite observations in the tropics and the Northern Hemisphere within the variability of the observations. Southern hemispheric tropospheric ozone is consistently underestimated by up to 25%. Differences in convection and stratosphere to troposphere exchange processes are mostly responsible for differences in ozone in the different model configurations. Carbon monoxide (CO) and other volatile organic compounds are largely underestimated in Northern Hemisphere mid-latitudes based on satellite and aircraft observations. Nitrogen oxides (NO x ) are biased low in the free tropical troposphere, whereas peroxyacetyl nitrate (PAN) is overestimated in particular in high northern latitudes. The present-day methane lifetime estimates are compared among the different model configurations. These range between 7.8 years in the SD configuration of CAM5-chem and 8.8 years in the FR configuration of CAM4-chem and are therefore underestimated compared to observational estimations. We find that differences in tropospheric aerosol surface area between CAM4 and CAM5 play an important role in controlling the burden of the tropical tropospheric hydroxyl radical (OH), which causes differences in tropical methane lifetime of about half a year between CAM4-chem and CAM5-chem. In addition, different distributions of NO x from lightning explain about half of the difference between SD and FR model versions in both CAM4-chem and CAM5-chem. Remaining differences in the tropical OH burden are due to enhanced tropical ozone burden in SD configurations compared to the FR versions, which are not only caused by differences in chemical production or loss but also by transport and mixing. For future studies, we recommend the use of CAM5-chem configurations, due to improved aerosol description and inclusion of aerosol–cloud interactions. However, smaller tropospheric surface area density in the current version of CAM5-chem compared to CAM4-chem results in larger oxidizing capacity in the troposphere and therefore a shorter methane lifetime.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

The impact of shale gas on the cost and feasibility of meeting climate targets—A global energy system model analysis and an exploration of uncertainties

There exists considerable uncertainty over both shale and conventional gas resource availability and extraction costs, as well as the fugitive methane emissions associated with shale gas extraction and its possible role in mitigating climate change. This study uses a multi-region energy system model, TIAM (TIMES integrated assessment model), to consider the impact of a range of conventional and shale gas cost and availability assessments on mitigation scenarios aimed at achieving a limit to global warming of below 2 °C in 2100, with a 50% likelihood. When adding shale gas to the global energy mix, the reduction to the global energy system cost is relatively small (up to 0.4%), and the mitigation cost increases by 1%–3% under all cost assumptions. The impact of a “dash for shale gas”, of unavailability of carbon capture and storage, of increased barriers to investment in low carbon technologies, and of higher than expected leakage rates, are also considered; and are each found to have the potential to increase the cost and reduce feasibility of meeting global temperature goals. Finally, we conclude that the extraction of shale gas is not likely to significantly reduce the effort required to mitigate climate change under globally coordinated action, but could increase required mitigation effort if not handled sufficiently carefully.

energy economics↗
DOE OSTI2017

Investigating the Direct Meltwater Effect in Terrestrial Oxygen-Isotope Paleoclimate Records Using an Isotope-Enabled Earth System Model

Variations in terrestrial oxygen-isotope reconstructions from ice cores and speleothems have been primarily attributed to climatic changes of surface air temperature, precipitation amount, or atmospheric circulation. In this work, we demonstrate with the fully coupled isotope-enabled Community Earth System Model an additional process contributing to the oxygen-isotope variations during glacial meltwater events. This process, termed “the direct meltwater effect,” involves propagating large amounts of isotopically depleted meltwater throughout the hydrological cycle and is independent of climatic changes. We find that the direct meltwater effect can make up 15–35% of the δ 18 O signals in precipitation over Greenland and eastern Brazil for large freshwater forcings (0.25–0.50 sverdrup (10 6 m 3 /s)). Model simulations further demonstrate that the direct meltwater effect increases with the magnitude and duration of the freshwater forcing and is sensitive to both the location and shape of the meltwater. These new modeling results have important implications for past climate interpretations of δ 18 O.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

How Well do Earth System Models Capture Apparent Relationships Between Phytoplankton Biomass and Environmental Variables?

Abstract As phytoplankton form the base of the marine food web, understanding the controls on their abundance is fundamental to understanding marine ecology and its sensitivity to global climate change. While many Earth System Models (ESMs) predict phytoplankton biomass, it is unclear whether they properly capture the mechanistic relationships that control this quantity in the real ocean. We used Random Forest analysis to analyze the output of 13 ESMs as well as two observational data sets. The target variable was phytoplankton carbon and the predictors included environmental parameters known to influence phytoplankton, including nutrients, light, mixed layer depth, salinity, temperature, and upwelling. We examined the following: (a) What fractions of variability in ESMs and observations can be linked to the large‐scale environmental variables simulated by ESMs? (b) What are the dominant predictors and relationships affecting phytoplankton biomass? (c) How well do ESMs simulate phytoplankton carbon and do they simulate the relationships we see in observations? About 88%–96% of the variability in observational data sets and greater than 98% in the ESMs was accounted for by environmental variables known to influence phytoplankton biomass. The dominant predictors in the observational data sets were shortwave radiation and dissolved iron, with temperature and ammonium also relatively important. All the ESMs show that shortwave radiation is the most important variable and most of them predict the right sign of sensitivity to most variables. However, the models predict that biomass reaches maximum levels at unrealistically low levels of iron and unrealistically high levels of light.

Environmental Sciences & Ecology↗
NASA NTRS1979

Investigation of high frequency oscillations in the OV102 elevon actuation subsystems using continuous system modeling program simulation

Two theories emerged as the cause of undesired oscillations at frequencies between 40 and 60 Hz in the Orbiter Vehicle inboard and outboard elevon actuation subsystems during hardware testing. Both the "hardover feedback" and "deadspace" theories were examined using continuous system modeling program simulation. Results did not support the "hardover feedback" theory but showed that deadspace in the torque feedback spring connections to the servospools must be considered to be a possible cause of the oscillations. Further investigation is recommended.

Powell, W. W., Sr.↗
NASA NTRS2017

Next Generation Agricultural System Models and Knowledge Products: Synthesis and Strategy

The purpose of this Special Issue of Agricultural Systems is to lay the foundation for the next generation of agricultural systems data, models and knowledge products. In the Introduction to this Special Issue, we described a vision for accelerating the rate of agricultural innovation and meeting the growing global need for food and fiber. In this concluding article of the NextGen Special Issue we synthesize insights and formulate a strategy to advance data, models, and knowledge products that are consistent with this vision. This strategy is designed to facilitate a transition from the current, primarily supply-driven approach toward a more demand-driven approach that would address key Use Cases where better data, models and knowledge products are seen by end-users as essential to meet their needs.

Next generation↗
DOE OSTI2026

The relative importance of wind and hydroclimate drivers in modulating the interannual variability of dust emissions in Earth system models

Windblown dust emissions are controlled by near-surface wind speed and sediment erodibility, the latter modulated by hydroclimate and land-use conditions. Accurate representations of these drivers are critical for reproducing historical dust variability and projecting future dust changes in Earth system models (ESMs). This study examines the discrepancies among 21 ESMs in the relative importance of wind speed versus five hydroclimate drivers in explaining the historical (1980–2014) variability of dust emissions from global drylands. In hyperarid areas, models show poor agreement in the simulated dust variability, with only 9 % out of 210 inter-model comparisons exhibiting significant positive correlations. In contrast, arid and semiarid areas exhibit a dual pattern driven by a “double-edged sword” effect of land surface memory: models with coherent hydroclimate variability show better agreement, whereas those with divergent hydroclimate representations show larger disagreement. While the ESMs capture the dominant role of wind speed in hyperarid areas, they diverge markedly in the relative contributions of wind and hydroclimate drivers in arid and semiarid areas. Replacing the Zender et al. (2003) dust scheme with the Kok et al. (2014) scheme in CESM and E3SM generally strengthens hydroclimate influences while reducing wind speed contributions to simulated dust variability. MERRA-2 reanalysis produces stronger wind influences than most ESMs across all dryland regions. These results underscore the need for improved near-surface wind simulations in hyperarid areas and more realistic land surface and hydroclimate representations in arid and semiarid areas to reduce uncertainties in global dust emission simulations.

Li, Xinzhu [Michigan Technological University, Hou↗
DOE OSTI2019

Ocean Barrier Layers in the Energy Exascale Earth System Model

Ocean barrier layers (BLs) separate the mixed layer from the top of the thermocline and are able to insulate the mixed layer from entrainment of cold thermocline water. In this work, we provide the first global BL assessment in E3SMv1 and two other Earth system models. Compared to observations, models reproduce the global distributions as semipermanent features in some tropical regions and seasonal features elsewhere. Yet, model BLs are generally too thin in tropical regions and too thick in higher latitudes. BLs' ability to insulate the ocean surface from entrainment of cold thermocline water is most apparent in the tropics. Along these lines, E3SMv1s BL thickness biases most affect entrainment here. Tropical BLT biases appear driven by atmosphere biases, mainly through the effect of precipitation minus evaporation on mixed layer depth. At higher latitudes BL thickness biases are dominated by thermocline depth errors related to ocean circulation and vertical mixing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Interactive Photochemistry in Earth System Models to Assess Uncertainty in Ozone and Greenhouse Gases. Final report

Atmospheric chemistry controls the abundances and hence climate forcing of important greenhouse gases including N 2 O, CH 4 , HFCs, CFCs, and O 3 . Attributing climate change to human activities requires, at a minimum, accurate models of the chemistry and circulation of the atmosphere that relate emissions to abundances. This DOE-funded research provided realistic, yet computationally optimized and affordable, photochemical modules to the Community Earth System Model (CESM) that augment the CESM capability to explore the uncertainty in future stratospheric-tropospheric ozone, stratospheric circulation, and thus the lifetimes of chemically controlled greenhouse gases from climate simulations. To this end, we have successfully implemented Fast-J (radiation algorithm determining key chemical photolysis rates) and Linoz v3.0 (linearized photochemistry for interactive O 3 , N 2 O, NO y and CH 4 ) packages in LLNL-CESM and for the first time demonstrated how change in O2 photolysis rate within its uncertainty range can significantly impact on the stratospheric climate and ozone abundances. From the UCI side, this proposal also helped LLNL develop a CAM-Superfast Chemistry model that was implemented for the IPCC AR5 and contributed chemical-climate simulations to CMIP5.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Workshop on Human Activity at Scale in Earth System Models

Changing human activity within a geographical location may have significant influence on the global climate, but that activity must be parameterized in such a way as to allow these high-resolution sub-grid processes to affect global climate within that modeling framework. Additionally, we must have tools that provide decision support and inform local and regional policies regarding mitigation of and adaptation to climate change. The development of next-generation earth system models, that can produce actionable results with minimum uncertainties, depends on understanding global climate change and human activity interactions at policy implementation scales. Unfortunately, at best we currently have only limited schemes for relating high-resolution sectoral emissions to real-time weather, ultimately to become part of larger regions and well-mixed atmosphere. Moreover, even our understanding of meteorological processes at these scales is imperfect. This workshop addresses these shortcomings by providing a forum for discussion of what we know about these processes, what we can model, where we have gaps in these areas and how we can rise to the challenge to fill these gaps.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

Model systems for life processes on Mars

In the evolution of life forms nonphotosynthetic mechanisms are developed. The question remains whether a total life system could evolve which is not dependent upon photosynthesis. In trying to visualize life on other planets, the photosynthetic process has problems. On Mars, the high intensity of light at the surface is a concern and alternative mechanisms need to be defined and analyzed. In the UV search for alternate mechanisms, several different areas may be identified. These involve activated inorganic compounds in the atmosphere, such as the products of photodissociation of carbon dioxide and the organic material which may be created by natural phenomena. In addition, a life system based on the pressure of the atmospheric constituents, such as carbon dioxide, is a possibility. These considerations may be important for the understanding of evolutionary processes of life on another planet. Model systems which depend on these alternative mechanisms are defined and related to presently planned and future planetary missions.

Mitz, M. A.↗
DOE OSTI2016

Large-scale maps of variable infection efficiencies in aquatic Bacteroidetes phage-host model systems: Variable phage-host infection interactions

Microbes drive ecosystem functioning and their viruses modulate these impacts through mortality, gene transfer and metabolic reprogramming. Despite the importance of virus-host interactions and likely variable infection efficiencies of individual phages across hosts, such variability is seldom quantified. In this paper, we quantify infection efficiencies of 38 phages against 19 host strains in aquatic Cellulophaga (Bacteroidetes) phage-host model systems. Binary data revealed that some phages infected only one strain while others infected 17, whereas quantitative data revealed that efficiency of infection could vary 10 orders of magnitude, even among phages within one population. This provides a baseline for understanding and modeling intrapopulation host range variation. Genera specific host ranges were also informative. For example, the Cellulophaga Microviridae, showed a markedly broader intra-species host range than previously observed in Escherichia coli systems. Further, one phage genus, Cba41, was examined to investigate nonheritable changes in plating efficiency and burst size that depended on which host strain it most recently infected. While consistent with host modification of phage DNA, no differences in nucleotide sequence or DNA modifications were detected, leaving the observation repeatable, but the mechanism unresolved. Overall, this study highlights the importance of quantitatively considering replication variations in studies of phage-host interactions.

59 BASIC BIOLOGICAL SCIENCES↗