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At least 1,081 records · Page 60

Collaborative Research: Quantifying the Uncertainties of Aerosol Indirect Effects and Impacts on Decadal-Scale Climate Variability in NCAR CAM5 and CESM1

The goal of this proposed project is to assess the climatic importance and sensitivity of aerosol indirect effect (AIE) to cloud and aerosol processes and feedbacks, which include organic aerosol hygroscopicity, cloud condensation nuclei (CCN) activation kinetics, Giant CCN, cloud-scale entrainment, ice nucleation in mixed-phase and cirrus clouds, and treatment of subgrid variability of vertical velocity. A key objective was to link aerosol, cloud microphysics and dynamics feedbacks in CAM5 with a suite of internally consistent and integrated parameterizations that provide the appropriate degrees of freedom to capture the various aspects of the aerosol indirect effect. The proposal integrated new parameterization elements into the cloud microphysics, moist turbulence and aerosol modules used by the NCAR Community Atmospheric Model version 5 (CAM5). The CAM5 model was then used to systematically quantify the uncertainties of aerosol indirect effects through a series of sensitivity tests with present-day and preindustrial aerosol emissions. New parameterization elements were developed as a result of these efforts, and new diagnostic tools & methodologies were also developed to quantify the impacts of aerosols on clouds and climate within fully coupled models. Observations were used to constrain key uncertainties in the aerosol-cloud links. Advanced sensitivity tools were developed and implements to probe the drivers of cloud microphysical variability with unprecedented temporal and spatial scale. All these results have been published in top and high impact journals (or are in the final stages of publication). This proposal has also supported a number of outstanding graduate students.

54 ENVIRONMENTAL SCIENCES↗

Milestone Completion Report STCO04-1 AAPS: engagements with code teams, vendors, collaborators, developers

The Advanced Architecture and Portability Specialists team (AAPS) worked with a select set of LLNL application teams to develop and/or implement a portability strategy for next-generation architectures. The team also investigated new and updated programming models and helped develop programming abstractions targeting maintainability and performance portability. Significant progress was made on both fronts in FY17, resulting in multiple applications being significantly more prepared for the nextgeneration machines than before.

97 MATHEMATICS AND COMPUTING↗

SNL/JAEA Collaborations on Sodium Fire Benchmarking.

Two sodium spray fire experiments performed by Sandia National Laboratories (SNL) were used for a code - to - code comparison between CONTAIN - LMR and SPHINCS. Both computer codes are used for modeling sodium accidents in sodium fast reactors. The comparison between the two codes provides insights into the ability of both codes to model sodium spray fires. The SNL T3 and T4 experiments are 20 kg sodium spray fires with sodium spray temperature s of 200 deg C and 500 deg C, respe ctively. Given the relatively low sodium temperature in the SNL T3 experiment, the sodium spray experienced a period of non - combustion. The vessel in the SNL T4 experiment experienced a rapid pressurization that caused of the instrumentation ports to fail during the sodium spray. Despite these unforeseen difficulties, both codes were shown in good agreement with the experiment s . The subsequent pool fire that develops from the unburned sodium spray is a significant characteristic of the T3 experiment. SPHIN CS showed better long - term agreement with the SNL T3 experiment than CONTAIN - LMR. The unexpected port failure during the SNL T4 experiment presented modelling challenges. The time at which the port failure occurred is unknown, but is believed to have occur red at about 11 seconds into the sodium spray fire. The sensitivity analysis for the SNL T4 experiment shows that with a port failure, the sodium spray fire can still maintain elevated pressures during the spray.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Collaborative Research: Atmospheric Pressure Plasma-Biomaterial Surface Interactions - Bridging Understanding of APP Sources to Rational Modification of Biomolecules

The overriding objective of this work is to bridge the gap between understanding of atmospheric pressure plasma (APP) sources and predictive chemical modifications of biomolecules. A key aspect of this problem is to understand what oxidizing species are created in water adjacent to APP jets that would ultimately affect aqueous biomolecules. We report the production of highly oxidative species in solutions exposed to a self-pulsed corona discharge in air. We examine how the properties of the target solution (pH, conductivity) and the discharge power affect the discharge stability and the production of H2O2. Indigo carmine, a common organic dye, is used as an indicator of oxidative strength and in particular, hydroxyl radical (OH•) production. The observed rate of indigo oxidation in contact with the discharge far exceeds that predicted from reactions based on concentrations of species measured in the bulk solution. The generation of H2O2 and the oxidation of indigo carmine indicate a high concentration of highly oxidizing species such as OH• at the plasma-liquid interface. These results indicate that reactions at the air plasma-liquid interface play a dominant role in species oxidation during direct non-equilibrium atmospheric pressure plasma (NE-APP) treatment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Collaborative Research: Improving Decadal Prediction of Arctic Climate Variability and Change Using a Regional Arctic

This project developed and applied a regional Arctic System model for enhanced decadal predictions. It built on successful research by four of the current PIs with support from the DOE Climate Change Prediction Program, which has resulted in the development of a fully coupled Regional Arctic Climate Model (RACM) consisting of atmosphere, land-hydrology, ocean and sea ice components. An expanded RACM, a Regional Arctic System Model (RASM), has been set up to include ice sheets, ice caps, mountain glaciers, and dynamic vegetation to allow investigation of coupled physical processes responsible for decadal-scale climate change and variability in the Arctic. RASM can have high spatial resolution (~4-20 times higher than currently practical in global models) to advance modeling of critical processes and determine the need for their explicit representation in Global Earth System Models (GESMs). The pan-Arctic region is a key indicator of the state of global climate through polar amplification. However, a system-level understanding of critical arctic processes and feedbacks needs further development. Rapid climate change has occurred in a number of Arctic System components during the past few decades, including retreat of the perennial sea ice cover, increased surface melting of the Greenland ice sheet, acceleration and thinning of outlet glaciers, reduced snow cover, thawing permafrost, and shifts in vegetation. Such changes could have significant ramifications for global sea level, the ocean thermohaline circulation and heat budget, ecosystems, native communities, natural resource exploration, and commercial transportation. The overarching goal of the RASM project has been to advance understanding of past and present states of arctic climate and to improve seasonal to decadal predictions. To do this the project has focused on variability and long-term change of energy and freshwater flows through the arctic climate system. The three foci of this research are: - Changes in the freshwater flux between arctic climate system components resulting from decadal changes in land and sea ice, seasonal snow, vegetation, and ocean circulation. - Changing energetics due to decadal changes in ice mass, vegetation, and air-sea interactions. - The role of small-scale atmospheric and oceanic processes that influence decadal variability. This research has been addressing modes of natural climate variability as well as extreme and rapid climate change. RASM can facilitate studies of climate impacts (e.g., droughts and fires) and of ecosystem adaptations to these impacts.

58 GEOSCIENCES↗

Collaborative Research: Tomographic imaging of laser-plasma structures

The interaction of intense short laser pulses with ionized gases, or plasmas, underlies many applications such as acceleration of elementary particles, production of energy by laser fusion, generation of x-ray and far-infrared “terahertz” pulses for medical and materials probing, remote sensing of explosives and pollutants, and generation of guide stars. Such laser-plasma interactions create tiny electron density structures (analogous to the wake behind a boat) inside the plasma in the shape of waves, bubbles and filaments that move at the speed of light, and evolve as they propagate. Prior to recent work by the PI of this proposal, detailed knowledge of such structures came exclusively from intensive computer simulations. Now “snapshots” of these elusive, light-velocity structures can be taken in the laboratory using dynamic variant of holography, the technique used to produce ID cards and DVDs, and dynamic variant of tomography, the technique used in medicine to image internal bodily organs. These fast visualization techniques are important for understanding, improving and scaling the above-mentioned applications of laser-plasma interactions. In this project, we accomplished three things: 1) We took holographic pictures of a laser-driven plasma-wave in the act of accelerating electrons to high energy, and used computer simulations to understand the pictures. 2) Using results from this experiment to optimize the performance of the accelerator, and the brightness of x-rays that it emits. These x-rays will be useful for medical and materials science applications. 3) We made technical improvements to the holographic technique that enables us to see finer details in the recorded pictures. Four refereed journal papers were published, and two students earned PhDs and moved on to scientific careers in US National Laboratories based on their work under this project.

43 PARTICLE ACCELERATORS↗

dV/dt - Accelerating the Rate of Progress towards Extreme Scale Collaborative Science

This report introduces publications that report the results of a project that aimed to design a computational framework that enables computational experimentation at scale while supporting the model of “submit locally, compute globally”. The project focuses on estimating application resource needs, finding the appropriate computing resources, acquiring those resources,deploying the applications and data on the resources, managing applications and resources during run.

97 MATHEMATICS AND COMPUTING↗

Collaborative Project: Development of an Isotope-Enabled CESM for Testing Abrupt Climate Changes

One of the most important validations for a state-of-art Earth System Model (ESM) with respect to climate changes is the simulation of the climate evolution and abrupt climate change events in the Earth’s history of the last 21,000 years. However, one great challenge for model validation is that ESMs usually do not directly simulate geochemical variables that can be compared directly with past proxy records. In this proposal, we have met this challenge by developing the simulation capability of major isotopes in a state-of-art ESM, the Community Earth System Model (CESM), enabling us to make direct model-data comparison by comparing the model directly against proxy climate records. Our isotope-enabled ESM incorporates the capability of simulating key isotopes and geotracers, notably δ 18 O, δD, δ 14 C, and δ 13 C, Nd and Pa/Th. The isotope-enabled ESM have been used to perform some simulations for the last 21000 years. The direct comparison of these simulations with proxy records has shed light on the mechanisms of important climate change events.

54 ENVIRONMENTAL SCIENCES↗

Brazil-USA Collaborative Research: Modifications by Anthropogenic Pollution of the Natural Atmospheric Chemistry and Particle Microphysics of the Tropical Rain Forest During the GoAmazon Intensive Operating Periods (IOPs)

Manaus, a city of nearly two million people, represents an isolated urban area having a distinct urban pollution plume within the otherwise pristine Amazon Basin. The plume has high concentrations of oxides of nitrogen and sulfur, carbon monoxide, particle concentrations, and soot, among other pollutants. Critically, the distinct plume in the setting of the surrounding tropical rain forest serves as a natural laboratory to allow direct comparisons between periods of pollution influence to those of pristine conditions.

54 ENVIRONMENTAL SCIENCES↗

Collaborative Research: Centralized Activities in Support of the Radiative Forcing Model Intercomparison Project (Final Technical Report)

This final technical report summarizes the work accomplished by Atmospheric and Environmental Research in support of the Radiative Forcing Model Intercomparison Project, an international effort to assess sources of error and spread in the radiative forcing calculated by state-of-the-art climate models for historical and future climate studies. Our efforts on this project focused on the performing the line-by-line reference calculations for the gas forcing component of RFMIP. This included enhancing AER's line-by-line radiation model with the latest spectroscopic updates, completing the longwave and shortwave clear-sky high-resolution reference calculations using the line-by-line model, and an initial analysis of the reference calculations.

54 ENVIRONMENTAL SCIENCES↗

Collaborative Research: The Role of Grain Boundary Structure and Chemistry in Materials Failure

Throughout the one year duration of this award significant progress was made in understanding the effect of grain boundaries in polycrystalline materials. The starting point of this work is that each grain boundary can be characterized by an interface energy and respective interface parameter, which depend on the boundary chemical composition and structure. As this is a new point of view for treating grain boundaries, an interdisciplinary approach was followed to prove the existence of such interface terms. Throughout the project, hence, theory, experiments and simulations were used. Molecular dynamics and dislocation density-function dynamics were performed to understand dislocation-grain boundary interactions in pure Al crystalline materials, as potentials for Al are well established. The formation of dislocation pile-ups was observed and the strain profiles were in agreement with interfacial gradient plasticity, which is the theoretical framework that allows the introduction of mechanically induced interface energies. After verifying numerically the existence of mechanically induced interface energies, nanoindentation experiments were performed near grain boundaries of Fe-Si crystals that contained three grain boundaries. By indenting in close proximity to the boundary these experiments allowed for measuring the critical stress at which deformation was transmitted across the boundary to the adjacent grains, either through dislocation transmission or absorption and subsequent emission. This critical stress, also termed grain boundary yield stress, was in accordance with the value predicted by interfacial gradient plasticity, further verifying that mechanically induced interface energies can help define the material response. In the Fe-Si crystals the Si content was kept constant at 3wt%, but three specimen were considered each of which was characterized by a different misorientation at the grain boundary. By relating the experiments with the analytical gradient plasticity expressions it was possible to obtain first estimates for the interface parameter as ~200N/m. This value was not proportional to the misorientation angle, but depended also on the grain boundary plane. The continuation of this project is performing more detailed experiments on additional Fe-Si and Fe-C systems (both nanoindentation and in-situ transmission electron microscopy) to further understand the physical origin of such interface parameters. Furthermore, molecular dynamics nanoindentation simulations are also performed on similar systems to better understand the dislocation grain boundary interactions.

36 MATERIALS SCIENCE↗

OIE Collaborating Centre for Biorisk Management Strategic Plan.

Due to efforts by individual nations and the international community to monitor and control natural occurring outbreaks of animal and zoonotic diseases, any number and variety of select agents and especially dangerous pathogens can be found at diagnostic laboratories around the world. Diagnostic testing is a crucial aspect of disease surveillance, but the organized collection and testing of diagnostic samples from the animal and human population at laboratories has created a repository of disease agents and toxins that could cause serious harm if released or acquired by nefarious means. The delicate balance between public health disease surveillance and the management of biorisks at facilities utilized in surveillance is a necessary goal of veterinary public health.

60 APPLIED LIFE SCIENCES↗

Final Technical Report for Collaborative Research: Developing and Implementing Ocean-Atmosphere Reanalyses for Climate Applications (OARCA)

As an important step toward a coupled data assimilation system for generating reanalysis fields needed to assess climate model projections, the Ocean Atmosphere Coupled Reanalysis for Climate Applications (OARCA) project assesses and improves the longest reanalyses currently available of the atmosphere and ocean: the 20th Century Reanalysis Project (20CR) and the Simple Ocean Data Assimilation with sparse observational input (SODAsi) system, respectively. In this project, we make off-line but coordinated improvements in the 20CR and SODAsi datasets, with improvements in one feeding into improvements of the other through an iterative generation of new versions. These datasets now span from the 19th to 21st centuries. We then study the extreme weather and variability from days to decades of the resulting datasets. A total of 24 publications have been produced in this project.

54 ENVIRONMENTAL SCIENCES↗

Nek5000 Simulations on Turbulent Coolant Flow in a Fuel Assembly Experiment - AREVA/ANL collaboration for advancing CFD tools

The NEAMS program aims to develop an integrated multi physics simulation capability “pellet to plant” for the design and analysis of future generations of nuclear power plants. In particular, the Reactor Product Line code suite’s multi resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗