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At least 649 records · Page 36

Hero Carbonsafe Phase 2 Project in the Columbia River Basalt Group: Technical Program Overview

The Hermiston, Oregon Basalt CarbonSAFE Phase II project (HERO CarbonSAFE) seeks to accelerate the deployment of commercial carbon dioxide (CO2) storage projects in basaltic rocks. Hermiston is located near the center of the Columbia River Basalt Group (CRBG), which is one of the largest basalt flows in the US. Basalt CO2 storage has potential advantages to conventional saline storage reservoirs including 1. The potential for rapid mineralization of CO2, 2. associated decreases in pressure and CO2 migration risks, 3. reduced long-term monitoring requirements with respect to plume tracking, 4. widespread geographic distribution and, 5. large storage potential due to thickness, porosity, and CO2 interactions with basalt. For locations such as the Pacific Northwest (PNW), Hawaii, Iceland, India and Japan, whose localities are isolated from large sedimentary basins offering conventional saline storage options, basalt may offer the only feasible option for local CO2 storage. However, mineralization/basalt storage still has many uncertainties, as there are limited field-scale assessments of CO2 storage in basalt. There are significant uncertainties hindering the effective implementation of carbon capture utilization and storage (CCUS) in basalt. These include the lack of proven storage capacities, challenges in methodologies for modeling the area of review in igneous formations, limited understanding of mineralization kinetics and timing, and uncertainties in injectivity. Additionally, the domestic availability of specialized services and drilling expertise is constrained, and existing CCUS permitting and regulatory frameworks, originally developed for conventional saline reservoirs, may not adequately address the unique requirements of basalt systems. HERO CarbonSAFE is designed to address major research gaps and uncertainties associated with basalt storage. Specifically, the project will assess the feasibility of CO2 injection in the deep layered basalts of the CRBG, long-term storage (mineralization), practical approaches for large-scale implementation (50+ million metric tons of CO2 over 30 years), lithology-specific risks, and the technoeconomic potential for CO2 storage in basalts.

58 GEOSCIENCES↗

Micropulse Lidar Cloud Mask (MPLCMASK) Value-Added Product for the Fast-Switching Polarized Micropulse Lidar Technical Report

Lidar backscattered signal is a useful tool for identifying vertical cloud structure in the atmosphere in optically thin clouds. Cloud boundaries derived from lidar signals are a necessary input for popular ARM data products, such as the Active Remote Sensing of Clouds (ARSCL) product. An operational cloud boundary algorithm (Wang and Sassen 2001) has been implemented for use with the ARM Micropulse Lidar (MPL) systems. In addition to retrieving cloud boundaries above 500 m, the value-added product (VAP) named Micropulse Lidar Cloud Mask (MPLCMASK) applies lidar-specific corrections (i.e., range-square, background, deadtime, and overlap) as described in Campbell et al. (2002) to the measured backscattered lidar. Depolarization ratio is computed using the methodology developed by Flynn et al. (2007) for polarization-capable MPL systems. The cloud boundaries output from MPLCMASK will be the primary lidar cloud mask for input to the ARSCL product and will be applied to all MPL systems, including historical data sets.

54 ENVIRONMENTAL SCIENCES↗

Harnessing the power of ab initio calculations, distributed computing and machine learning to efficiently locate extreme molecules for use in carbon-based solar cells (Final Technical Report)

The use of high-throughput virtual screening (HTVS) tools is a powerful tool to expedite the materials discovery of commercially relevant materials. In previous years, our group has developed a molecular discovery platform to generate libraries in order to obtain suitable candidates for different applications, starting from the Harvard Clean Energy Project. This platform is suitable to test in-silico on traditional supercomputing clusters and shared resources, for example, in the IBM World Community Grid. In this project, we used the molecular discovery platform to create and screen a library of candidates of organic photovoltaic (OPVs) molecules. Based on a set of candidates created with combinations of molecular moieties, we were able to filter, by conformation stability, the energy of electronic orbitals and approximated power conversion efficiencies (PCE). To improve the predictions of orbital energies calculated and the PCEs, we used Gaussian Process regression and two sets of molecules. These sets correspond to electronic structure calculations of a higher level of theory and experimental PCE values, respectively. Finally, we selected a subset of the best candidates (molecules with a PCE higher than 10%) to understand its absorbance properties with TD-DFT. This project has demonstrated the capabilities of our molecular discovery platform for HTVS. Finally, machine learning can help us to introduce more complex effects included in bulk conditions and computational intensive calculations on models.

14 SOLAR ENERGY↗

PIPER: Performance Insight for Programmers and Exascale Runtimes (Final Technical Report)

This project concentrated on the development of novel performance tools and analysis techniques for large scale parallel systems and applications, eventually targeting exascale platforms. Activities conducted included work to novel root cause detection approaches and an auto-tuning framework for parallel systems. The work has led to several software solutions, which are available as open source.

97 MATHEMATICS AND COMPUTING↗

Overview of research completed with funding from the SciDAC CSPM project (Final Technical Report)

The Center for the Study of Plasma Microturbulence was a SciDAC project managed by the Office of Fusion Energy Sciences in the US Department of Energy. Funding for the University of Maryland was initially modest (40k/year) for the first two years. The remaining four years were funded at 201k/year, with a single $50k supplemental in 2015, and a no-cost extension that ran through March, 2018. The CSPM involved several institutions whose efforts are documented separately. At UMD, the CSPM supported two graduate students (Kanekar and Wilkie), two post-doctoral fellows (Landreman and TenBarge), and summer salary for the UMD PI (Dorland). The supplemental in 2015 provided additional salary for a sabbatical by Dorland in 2015/16. Landreman and TenBarge both transitioned to separately funded research staff positions at Maryland at the ends of their post-doctoral, CSPM-supported, positions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DE-EE0007069 – Location, Location, Efficiency! (L.L.E!) (Final Technical Report)

As a participant in Department of Energy's national Better Buildings Challenge, the City of Milwaukee's Environmental Collaboration Office and local partners developed a program to bundle and deliver energy efficiency services to commercial buildings and help bring energy efficiency technologies developed by DOE's Building Technology Office to market. This report summarizes the programs and its results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Investigation of the Reactor Antineutrino Anomaly with CeLAND (Final Technical Report)

The goal of this project has been to investigate reactor antineutrino anomaly by searching for the oscillation signature of the hypothesized 4th neutrino flavor. The 4th neutrino flavor is often referred to as sterile, not interacting with matter and can be only observed via disappearance of standard model neutrino flavors. It is also anticipated to be heavy and therefore disappearance due to sterile neutrino oscillations is expected to happen within few meters from the neutrino source. As such, the effect can be investigated with either reactor antineutrinos few meters from the reactor core or with the dedicated strong antineutrino source close to a large liquid scintillator detector to detect antineutrinos coming from the source.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sub-Kelvin High-Mass CCD Detectors for Dark Matter & Neutrino Searches (Technical Report)

This project aims to achieve two synergistic goals: 1) Develop a high mass low temperature CCD detector to measure charge transfer efficiency at sub-kelvin temperatures. 2) Use alternating surface bias at low voltages to produce NL phonons at the same rate as CDMS HV but without the need for HV bias. This will allow for a non-invasive NL amplification and paves the way for future single electron resolution large mass DM or CE NS detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multi-scale Dynamics of Water Regulation by Bacteria in Synthetic Soil Microsystems (Final Technical Report)

The objective of this project was to develop a multifunctional in situ platform to link gene expression, regulation, and function with the spatiotemporal context of the whole cell environment. In particular, we focus on a synthetic rhizosphere microhabitat and spatial regulation of genes encoding production of exopolysaccharides, or EPS. We have fully met this objective and report results that support the hypothesis: microbial EPS production, acting at pore throats, limits water evaporation and promotes resilience of terrestrial soil systems.

42 ENGINEERING↗

Predictive Integrated Modeling of Heated Tokamak Plasmas (Final Technical Report)

The research carried out by the Lehigh University fusion group during this reporting period: (1) Self-consistent predictive core-pedestal ITER scenario modeling; (2) Microtearing instabilities and electron thermal transport in standard and spherical tokamak discharges; (3) Neural network model of the Multi-Mode anomalous transport module; (4) Anomalous transport in KSTAR, JET, EAST, Alcator C-Mod and DIII-D discharges; (5) Theory for transport in magnetized plasmas; (6) Control-oriented modeling of the q-profile dynamic response in preparation for advanced scenario control in KSTAR and in EAST; (7) Modeling of edge harmonic oscillation in DIII-D QH mode discharges; (8) Elucidating plasma dynamics in Hasegawa-Wakatani turbulence by information geometry; (9) Non-linear Langevin and Fractional Fokker–Planck equations for anomalous diffusion by Levy stable processes; and (10) Investigation of the plasma shaping effects on the H-mode pedestal structure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Final Technical Report for DE-FG02-86ER45268

This work addresses several key issues for understanding the unusual superconductivity in IBS, already shown to be technologically useful materials. 1a). Are reactive gasses like fluorine, chlorine, or water vapor behaving simply as electron donors to cause the superconductivity (at T conset =21 K) in undoped IBS like BaFe 2 As 2 ? 1b). Does exposure to fluorine increase T c in electron-doped IBS materials that are underdoped, e. g. Ba(Fe 0.96 Co 0.04 ) 2 As 2 ? 1c). Can fluorine as a reactive electron-donor, with its relatively greater ease of introduction into the lattice, be used as a rapid tool to search for superconductivity in new materials under investigation? Method of investigation: Using electron probe microanalysis, x-ray photoemission spectroscopy, and dynamical mean field theory calculations, we found that fluorine substitutes for As in the BaFe 2 As 2 lattice, and should therefore behave as an electron donor. We will F-dope Ba(Fe 0.96 Co 0.04 ) 2 As 2 and several new compounds under investigation for superconductivity upon doping to determine fluorine’s effect. Potential impact: If – like for fluorine - a brief exposure to hydrogen indeed causes superconductivity to a depth of 10 microns, this technique could be useful in creating long lengths of superconducting tape without the chemical aggressiveness of fluorine. Using the F ion, which substitutes for As - away from the Fe planes, in underdoped IBS like Ba(Fe 0.96 Co 0.04 ) 2 As 2 may form optimally doped IBS with less impurity scattering of the superconducting Fe 3d electrons resulting in improved superconducting properties. Another potential impact is the speed of checking for superconductivity in new materials under investigation for superconductivity upon doping. 2. What are the effects of Be substitution into IBS, beginning with FeSe and its derivatives (FeSe 1-x S x and FeSe 1-x Te x ) and BaFe 2-x Co x As 2 ? Method of investigation: We recently succeeded in adding Be to the FeSe lattice and found, surprisingly, a factor of four improvement of the low temperature residual resistivity ratio, consistent with improved electronic ordering. Using single crystal x-ray diffraction and x-ray dispersive spectroscopy, determine the concentration and location of the Be dopant. Using resistivity, determine if there is improvement in the residual resistivity achieved by Be doping in the FeSe derivatives (using AlCl 3 :KCl flux growth) and Co-doped BaFe 2 As 2 (using self-flux single crystal growth). Measuring resistivity under strain, determine the changes of the nematic susceptibility at the structural ordering transition causes by the increase in electronic order caused by Be doping in FeSe. Potential impact: Further understanding of IBS, including FeSe which - under physical pressure - has a T c increase to 40 K and -prepared as a monolayer - has a T c reported to be over 100 K. 3. In collaboration, prepare light atom compounds involving Be and look for high pressure-induced superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Predicting Execution Times for Disk-based and In-Situ Parallel Data Analytics (Final Technical Report)

In recent years, there has been a significant amount of interests in in-situ analytics on simulation programs. For a variety of reasons, it is desirable to be able to predict the execution time of an analytics program. At the same time, frameworks such as MapReduce have become popular for scientific data analytics. This paper focuses on developing performance models for predicting execution time of parallel data analytics, with a special emphasis on in-situ analytics. We take two distinct approach towards performance prediction. We first expand SKOPE (a SKeleton framewOrk for Performance Exploration) with performance models for disk data read, cache performance, and page fault penalty. Second, an analytical performance model is also developed. We have evaluated our performance prediction framework as well as the analytical model on three hardware setups with well-known data mining algorithms implemented in three programming paradigms, MapReduce, MATE (a MapReduce-like parallel system with an alternate API for multi-core environments) and Smart (a MapReduce-like framework for in-situ analytics). Results show that our performance prediction framework along with the incorporated performance models are capable of accurately predicting execution times for parallel scientific analytics on different hardware setups.

97 MATHEMATICS AND COMPUTING↗

Fundamental problems in astroparticle physics and cosmology (Final Technical Report)

In the standard cosmological model, structure forms when gas cools and condenses to the center of dark matter halos. The onset of structure is governed by rapid star formation and subsequent evolution of the first massive stars. One of the endpoints of stellar evolution is the formation of a black hole. We showed that all black hole merger events must occur after the universe is about 85 million years old. This prediction is important because it means that if a future experiment makes a detection of a black hole merger event at an earlier time then our understanding of cosmology and the onset of structure formation is not fully developed. In addition, we explored dark matter models that have either self-interactions or experience decays. In the first case, self-interactions may lead to the formation of a thick disk that can be co-planar to the Galactic disc due to correlations in angular momentum between dark matter and baryons that are predicted by tidal torque theory. We showed that for heavy dark matter particles, either the self interaction may not be strong enough to solve the small scale structure motivation or a dark disc cannot be present in the Milky Way. In the second-case, we showed that if dark matter experiences decays into two particles, one of which behaves like radiation, then it is possible to relieve the tension that exists between measurements of the local expansion rate. Finally, we developed methods on how to distinguish gamma-ray excesses from promising dark matter targets as compared to conventional astrophysical sources. This is an important toolset that is applicable to any suspected dark matter source.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Liquid helium fluid dynamics studies. Final Technical Report

Future high energy physics accelerators depend on a number of advanced technologies to open the many doors of scientific discovery. Among these advanced technologies, superconducting magnets and superconducting radio frequency (SRF) cavities are the backbone of the accelerator and detector systems. But all these low temperature systems depend critically on successful and reliable operation of their supporting technologies, among which the liquid helium cooling system is of the utmost importance. To improve the quality of these systems both in terms of efficiency and reliability, a robust helium cryogenics research and development (R&D) effort is required. The proposed research to be conducted by the FSU cryogenics group aims to produce fundamental knowledge that meets this R&D need. The projects that we have completed over the past grant period at Florida State University consist of experimental research on liquid helium fluid dynamics and heat transfer problems relevant to the development of future superconducting particle physics accelerators. Liquid helium is the coolant used in all such facilities and in many of these facilities He II (the low temperature phase of liquid helium also known as superfluid helium) is preferred due to its outstanding heat transfer characteristics. The work consists of two main experimental studies that probe both fundamental as well as practical aspects of liquid helium cooling. The first is a broad and fundamental study of the heat and mass transfer processes that can occur during a sudden catastrophic loss of vacuum (SCLV) incident in a superconducting accelerator. SCLV refers to the remote but extremely critical accident scenario where atmospheric pressure air is allowed to flood into the insulating vacuum system and impinge on the liquid helium cooled surfaces in the accelerator. Safe performance and recovery from such accidents is essential to the reliable operation of superconducting accelerators. The dynamics of this process is quite complex and so our approach is to conduct a series of well-orchestrated experiments that probe the various physical phenomena that can occur during an SCLV event. The experiments are coupled with analytic and numerical analysis in an effort to develop a general understanding of the process and to assist with future accelerator design and development. The second activity is directed toward fundamental understanding of heat and mass transfer in He II, which is essential to the design of superconducting magnets and radio frequency cavities in accelerators. The work consists of flow visualization of the dynamics of He II using laser assisted techniques. Two complementary techniques are used to study the fundamentals of the turbulent state. The first technique uses neutrally buoyant solid hydrogen particles to probe the flow fields of the superfluid and normal fluid components. The other technique uses laser excited He2* molecules as tracers of the normal fluid motion within the He II. The activities also included an effort to use visualization techniques to locate transient hot spots in radio frequency superconducting cavities. Such work provides valuable information about the heat transfer process in He II and its impact on the performance of superconducting devices. The research effort at Florida State University is not directly in support of a specific high energy physics experiment or facility. Rather, the work is general and coordinated with HEP accelerator laboratories to provide valuable insight that can assist with future accelerator development.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Phase I Final Technical Report on Energy-Efficient Reconfigurable Universal Accelerator Interconnect

It is well known that application specific computing systems, optimally designed and configured for a given workload, offer much higher energy-efficiency and throughput than general purpose systems. In modern computing systems, heterogeneous computing systems have emerged that exploit the energy and performance benefits of combining various different domain-specific processor architectures. Application domains such as high-performance computing and machine learning now process terabyte-sized data sets, requiring enormous processing and memory resources. These applications have very high-power consumption due to bottlenecks in the electrical interconnection between processing units. This project aims to reduce both communication energy and latency by integrating universally available accelerators with silicon photonics. It also aims to increase system throughput by exploiting emerging technologies in silicon photonic reconfigurable interconnects; this will allow the system to balance itself in real time to accommodate changes in workloads and data flows.

2.5D/3D integration↗

Open Source Scalable Data Services and Data Fusion for Biological and Environmental Sciences (SBIR Phase I Final Scientific/ Technical Report)

The overarching goal of the project is to develop an integrated open-source scientific data management system (Apache V2 license), ResonantEco, that meets the need of biological and environmental researchers and developers for data management, curation, and data processing for analyses with a wide range of scale and complexity. ResonantEco will provide web enabled data services with features such as unified data interfaces and federated views of data and metadata for heterogeneous data sources with an interactive web client for data exploration. Our use of the term fusion is taken from geospatial (GIS) domain where data fusion is often synonymous with data integration. In particular, data integration in ResonantEco involves combining data residing in different sources and providing users with a unified view of them.

99 GENERAL AND MISCELLANEOUS↗

An Integrated Multiscale Experimental-Numerical Analysis on Reconsolidation of Salt-Clay Mixture for Disposal of Heat-Generating Waste (Final NEUP Technical Report)

The overall purpose of this research is to improve understanding of THMC coupling effect on the reconsolidation of granular (or crushed) salt-clay mixture used for seal systems of shafts and drifts in salt repositories. This proposed work is partially motivated by the recent work on the Waste Isolation Pilot Plant (WIPP) that shows the promising sealing capability of clay-salt mixture compared to crushed salt. In particular, primary emphasis is to develop a fully integrated multiscale experiment-numerical study to determine and explain what leads to the superior sealing ability of the clay-salt mixture. These research activities are designed to seek further understanding of (1) why clay additives may enhance the fluid trapping and (2) whether this flow barrier effect may prevail under different combinations of temperature, confining pressure, deviatoric stress and other foreseeable environmental factors. If successful, this enhanced flow trapping ability of the seal provides significant improvement to the seal and repository performance and therefore make the repository safer in the long-term. The experiment component includes microstructural investigation and macroscopic tests on a reconsolidated salt-clay mixture. In the microstructural study, the goal is to (1) characterize microscopic distributions of distinct phases (e.g., clay, salt crystal boundaries, trapped brine, and pore) to examine the connectivity of the pore network inside the salt-clay mixture with different amounts of clay additive and moisture content and (2) analyze multiscale imaging data to reconstruct the polycrystalline microstructures for numerical simulations. Meanwhile, macroscopic tests are performed to analyze how clay alters the failure/creep mechanisms in the salt-clay mixture. Microscopic and macroscopic experimental observations will both be used to calibrate and validate a multiscale model that explicitly simulates the capillary and multiphase flow in the connected pores and the deformation due to the presence of intra-crystalline brine at the pore scale via a new polyhedral discrete element–lattice Boltzmann method (DEM-LBM) coupling model. The pore-scale simulations are homogenized via an upscaling procedure that converts pore-scale information (e.g. force exerted on grain boundary, sliding, pressure-solution) to continuum measures (e.g. Cauchy stress, Darcy’s flow) at each integration point in the macroscopic multiphase TMHC model. This multiscale scheme will allow coupling be- tween high-fidelity simulations of brine-salt-clay interaction and the macroscopic TMHC model. The multiscale model helps the understanding of how the trapped brine inclusion affects the pressure-solution mechanism with the presence of clay and moisture. This work brings new insight into the sealing capacity of salt-clay mixture under elevated temperature over a long period of time - a key to evaluating the potential of salt-clay mixture usage for salt repositories.

42 ENGINEERING↗