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At least 1,099 records · Page 61

Collaborative study on "Earthquake Ground Motion Simulation Using Rupture Dynamics"

California (LLNL) and Disaster Prevention Research Institute, Kyoto University, Japan (DPRI) on rupture dynamics for crustal earthquakes, we carried out analyses of effects of several dynamic rupture parameters, such as stress drop, slip weakening distance and stress excess on fault rupture slip, slip velocity, and rupture velocity. In addition, we examined potential relationships between the assumed initial stress conditions, including asperities location, and rupture initiation and the final slip and slip velocity obtained from the spontaneous rupture modeling.

58 GEOSCIENCES↗

Open Collaboration and Research Capabilities on the LVOC/CREATE/High Performance Computing Innovation Center

While Lawrence Livermore National Laboratory (LLNL) and Sandia National Laboratories (SNL) have remained committed to their core nuclear weapons (NW) mission, the world has changed greatly since the opening of these national labs in the mid-20th century. During this era, U.S. universities were ranked as the top science centers in the world in essentially all fields, and the national laboratories were able to recruit the top graduates - who were predominantly U.S. citizens - from the nation's best academic institutions.

97 MATHEMATICS AND COMPUTING↗

Collaborative Project: Contributions of organic compounds to the growth of freshly nucleated atmospheric nanoparticles. Final Report

New-particle formation (NPF) is a significant source of aerosol particles into the atmosphere. However, these particles are initially too small to have climatic importance and must grow, primarily through net uptake of low-volatility species and more volatile gases that react in particles to form stable compounds, from diameters of ~1 nm to 30–100 nm in order to potentially impact climate. At the present time there are uncertainties in the physical and chemical processes associated with the growth of these freshly formed particles that lead to uncertainties in model predictions of aerosol-climate interactions. In this project, we used a combination of field, laboratory, and modelling studies to understand the processes leading to nanoparticle growth and evaluated and improved growth in global aerosol models. During this period this research team has either participated in, or analyzed observations from, four DOE-funded campaigns: the 2013 New Particle Formation Study (NPFS) at the ARM Southern Great Plains (SGP) site; the 2013 Biogenic Aerosols – Effects on Clouds and Climate campaign (BAECC) in Hyytiala, Finland; Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) in central Amazonia, Brazil; and, most recently, the 2016 Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) campaign at the SGP site. In addition, the research team explored nanoparticle growth mechanisms in laboratory experiments at the National Center for Atmospheric Research, University of California, Irvine, and the CLOUD chamber in Geneva, Switzerland. Modeling efforts resulted in a process-level model that incorporated both salt formation and the uptake of low-volatility organic compounds, which was able to connect measurements of gas and nanoparticle phase compounds observed during NPFS. In total, the results of this work have been described in 32 peer-reviewed publications and 34 invited or conference presentations.

58 GEOSCIENCES↗

Final Report: Collaborative Project: Contributions of organic compounds to the growth of freshly nucleated atmospheric nanoparticles

New-particle formation (NPF) is a significant source of aerosol particles into the atmosphere. However, these particles are initially too small to have climatic importance and must grow, primarily through net uptake of low-volatility species and more volatile gases that react in particles to form stable compounds, from diameters of ~1 nm to 30–100 nm in order to potentially impact climate. At the present time there are uncertainties in the physical and chemical processes associated with the growth of these freshly formed particles that lead to uncertainties in model predictions of aerosol-climate interactions. In this project, we used a combination of field, laboratory, and modelling studies to understand the processes leading to nanoparticle growth and evaluated and improved growth in global aerosol models. During this period this research team has either participated in, or analyzed observations from, four DOE-funded campaigns: the 2013 New Particle Formation Study (NPFS) at the ARM Southern Great Plains (SGP) site; the 2013 Biogenic Aerosols – Effects on Clouds and Climate campaign (BAECC) in Hyytiala, Finland; Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) in central Amazonia, Brazil; and, most recently, the 2016 Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) campaign at the SGP site. In addition, the research team explored nanoparticle growth mechanisms in laboratory experiments at the National Center for Atmospheric Research, University of California, Irvine, and the CLOUD chamber in Geneva, Switzerland. Modeling efforts resulted in a process-level model that incorporated both salt formation and the uptake of low-volatility organic compounds, which was able to connect measurements of gas and nanoparticle phase compounds observed during NPFS. In total, the results of this work have been described in 32 peer-reviewed publications and 34 invited or conference presentations.

54 ENVIRONMENTAL SCIENCES↗

STP/TAMU/INL Collaboration Update: LWRS Risk-Informed Safety Margin Characterization (RISMC) Lead

Present a preliminary RISMC model, including plant model interfaces for Best Estimate Plus Uncertainty Loss-Of-Coolant Accident analysis using riskinformed analysis tools. Analysis results for a coupled core design, fuel/clad and systems analysis framework (LOTUS) will be presented for existing baseline codes (RELAP5-3D, FRAPCON) to Large Break Loss-Of-Coolant Accident scenarios

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Final Report on "Collaborative Research to Narrow Uncertainties in Precipitation and the Hydrological Cycle in Climate Models"

The central objectives of this work have been to explore and improve the depiction of precipitation and related processes in climate models by developing and analyzing observations and their gridded analyses, and developing new approaches and metrics. All three groups worked with the NCAR-based Community Earth System Model (CESM) and international community Climate Model Inter-comparison Project version 5 (CMIP5) models in various ways. At NCAR and SUNYA an initial focus was on the observational record, including updating of the river discharge dataset. A major focus at NCAR was extensive work on new datasets of hourly precipitation from CMORPH (observations) and CESM, and commentary on and validation of the CESM. SUNYA contributed to the comparison and evaluation of existing precipitation products widely used in climate research, the analysis of precipitation characteristics in CESM and other CMIP5 models, and decadal precipitation variability associated with decadal variability. At NCAR and SUNYA work was focused on the frequency and intensity of precipitation, including their dependence on the temporal and spatial resolution of the data used to calculate the frequency and intensity, as well as additional analyses on the effects of precipitation data uncertainties on the estimated historical drying trends. LLNL focused on the diurnal cycle. New insights have resulted in the characteristics of precipitation (frequency, intensity, amount, duration, diurnal cycle, covariability in space and time) and evaluation of these in models. In general models perform poorly and this provides a much-needed focus on what aspects of models are greatly in need of improvement. A substantial number of papers have now been published on these topics. The focus on the characteristics of precipitation and not just amount also provides a natural entrée into examining the extremes of precipitation, that are very important to the general public in terms of impacts. Examples are the deluges from Florence and Harvey, and extensive work has been performed on the latter. On the other side of the coin, considerable work has been performed on dry spells and drought, including improvements in a drought index. There has been considerable outreach to the general public, especially through the media, but also via talks and lectures, and a strong educational component at SUNYA. For example, the Harvey paper has an altimetrics rating of 827 and is the highest for any paper from that journal, it is at the 99th percentile of all papers of the same age, and is in the top 95 percent of all papers. The energy cycle and ocean heat content has been another focus. The entire atmospheric energy cycle has been reformulated and applied to the latest data to include effects from the enthalpy of precipitation. Relationships between ocean heat content and sea level rise have also been extensively explored in observations and models, with new insights into the role of Mount Pinatubo volcanic eruption on distorting and hiding the accelerating sea level rise. This work has been also widely featured in news media. The “year without a summer” has also been explored in the past using models, and how changes in the vertical structure and stability of the ocean with a warming climate may influence a future such volcanic event by amplifying the surface temperature response.

58 GEOSCIENCES↗

Collaborative Project: Ocean-Atmosphere Interaction From Meso- to Planetary-Scale: Mechanisms, Parameterization, and Variability

The project focused on the dynamics and scale dependence of the boundary layer response, the coupled responses in the Pacific, and low frequency oceanic processes. Using theory and model simulations, we found coupling of sea surface temperatures associated with the ocean eddy field and the atmospheric boundary layer be dependent on scale, and captured in wave-number space by transfer functions. Investigations of coupled processes focused on the sea surface temperatures scales of eastern boundary upwelling system, and showed stability and eddy variance in the Kuroshio Extension to be predictable with lead times of several years through ocean Rossby waves and coupling with the atmosphere. In addition to these dynamical processes, we found that a significant part of the ocean evolution is associated with density compensating temperature and salinity anomalies, that, unlike Rossby waves, behave like passive tracers and follow the mean circulation.

54 ENVIRONMENTAL SCIENCES↗

Performance Understanding and Analysis for Exascale Data Management Workflows (Collaboration)

The general approach of the MONA project is depicted in Figure 1. The figure shows performance monitoring applied to an I/O workflow associated with a scientific simulation, with online measurements captured from this workflow informing methods for workflow reconfiguration and dynamic adjustment. The goal is to maintain suitable levels of Quality of Service for workflow execution, by understanding the underlying causes of workflow performance and behavior. One outcome will be workflow performance models able to characterize realistic workflows. Another outcome will be performance ‘mini-apps’ implementing such workflow behavior. Out of scope for this project are advanced methods for online workflow control.

97 MATHEMATICS AND COMPUTING↗

Collaborative Project: Three-Dimensional Structure of the Southern Ocean Overturning Circulation

The large-scale upwelling in the Southern Ocean provides a pathway for the deep and abyssal water masses of the global ocean to return to the surface, creating a mechanism for the exchange of carbon and heat between the deep ocean water masses and the atmosphere. Despite the significance of the overturning circulation in the Southern Ocean for global climate, very little is known about the depth and longitudinal distribution of the overturning pathways and their influence on heat uptake, regional sea level change and ocean carbon transport. The focus of this grant was to assess the three-dimensional structure of the Southern Ocean overturning circulation in models and observations, with the following three objectives: 1. Quantify and contrast modeled (using GFDL and CESM models) and observed (Argo based) upwelling pathways in the Southern Ocean. 2. Evaluate the impact of model resolution on transport pathways and the associated meridional fluxes of heat and salt. 3. Determine the influence of climate-driven changes in upwelling on the regional patterns and magnitude of heat and carbon uptake and sea level change. We have successfully achieved our three objectives through (1) running Southern Ocean particle tracking simulations in global coupled models with varying resolutions, and (2) quantifying the role played by the overturning circulation and its changes to the surface heat and carbon uptake, in climate models as well as observations. The research funded under this grant led to 8 published papers and 2 submitted papers, with 2 additional papers in preparation.

59 BASIC BIOLOGICAL SCIENCES↗

Collaborative Research: Experimental and Theoretical Study of the Plasma Physics of Antihydrogen Generation and Trapping (Final Technical Report)

The charge-parity-time (CPT) invariance principle and the weak equivalence principle (WEP) undergird our current understanding of Nature. CPT, which is based on only Lorentz invariance, locality, and spin-statistics, is basic to local relativistic quantum field theory (QFT) models of physical laws. Testing established principles like these is a long-standing and honorable tradition in physics. Beginning with Newton’s Laws, many firmly established laws have been superseded, often to the great surprise of contemporaneous physicists. Certainly, CPT rests on firmer grounds than the earlier widely believed, but erroneous principles, of parity (P) and charge-parity (CP) invariance, but this does not necessarily make CPT inviolable. Tests of CPT confront the entire framework of QFT, and are quite distinct from most other “beyond the Standard Model” searches, which look for new physics within the QFT framework. With the failure, so far, to find new physics at the LHC or in dark matter searches, the motivation to test QFT itself is urgent. The revolutionary consequences of CPT and WEP violation would be so great that these principles are under intense scrutiny in many different systems. Here we focus on tests of CPT and WEP that employ antimatter, specifically antihydrogen. Such tests are difficult to realize experimentally, but constitute some of the simplest and most profound matter-antimatter comparisons that can be performed. Antimatter particles have been investigated since the prediction and subsequent discovery of the positron in the 1930s. That early discovery motivated the search for the antiproton, culminating in its creation and detection in Berkeley two decades later. As far as we know today, particles and their antiparticles share identical properties except for the sign of their charge. Antihydrogen is the simplest antimatter system—it is the antiparticle of the simplest atom, hydrogen. Differences between the spectra of the two are forbidden by CPT. The weak equivalence principle (WEP), demands that matter and antimatter accelerate identically in a gravitational field. WEP has never been subjected to a direct, free fall test using antimatter. Because of the weakness of the gravita tional force, direct antimatter WEP tests must employ a neutral particle, of which antihydrogen is the simplest to obtain. There are reasons to suspect that something is amiss with our understanding of antimatter. All generally accepted theories of the Big Bang predict that roughly equal amounts of matter and antimatter should have been created. Instead, very little antimatter has been observed in the Universe. This baryogenesis problem is arguably the most fundamental issue with the theory of the Big Bang. Its resolution may come from the discovery of enhanced CP violation, but could also come from CPT or WEP violation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

University of Tennessee, Knoxville (UTK) contribution to: Deciphering the role of mixed-material deposition and temperature on lithium-coated PFCs in NSTX-U high-performance plasmas: Collaborative UIUC & UTK Proposal (Final Report)

This report describes the final product of model development to decipher the role of mixed material deposition and temperature on lithium-coated PFCs in NSTX-U. The computational modeling approach used to address these specific questions involved a pragmatic multiscale materials modeling framework, with the use of reaction-diffusion based continuum simulations, through modifications to the SDTrimSP code. This pragmatic modeling was supplemented with a few, select parametric ab-initio and molecular dynamics simulations, to investigate the effect of lithium and mixed lithium-carbon-refractory metal chemistry and surface morphology and chemistry on erosion yields and deuterium uptake, including the role of temperature and boronization. The main progress of the project was to develop the major framework and structure of the model, although validated application of the model was limited as a result of the unplanned shutdown and outage of NSTX-U.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Collaborative study on Earthquake Ground Motion Simulation Using Rupture Dynamics

The objective of this multi-year project between the LLNL and Kyoto University, is the investigation of effects of rupture dynamics on near-fault ground motion amplitude for strike slip earthquakes through rupture dynamics simulations. The work presented in this report was in part performed by Jikai Sun, a graduate student from Kyoto university, during his visit to the LLNL as a summer student. He was trained by Dr. Pitarka in using computer programs for generating rupture models and performing rupture dynamics simulations.

58 GEOSCIENCES↗

Engineered Barrier System R&D and International Collaborations – LANL (FY19)

Over the past seven years the Spent Fuel and Waste Science and Technology has investigated Engineered Barrier Systems (EBS) at higher heat loads (200 to 300 °C) and pressure (150 bar). This document presents the summary of Opalinus Clay experiments (EBS-14 to EBS26). These results include clay mineral analyses, authigenic mineral formation, and steel interface and corrosion results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗