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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Interrelationship of Thermal Effects on Calcium Sulfate Dihydrate Casts Containing Borax and Kaolin: Differential Thermal Analysis (DTA), Thermogravimetric Analysis (TGA), and Contact Dilatometry

The core composition of gypsum wallboard is calcium sulfate dihydrate (CaSO 4 ·2H 2 O) with varying impurities, additives, or both. This study compares here two commercially calcined sources of hemihydrate (CaSO 4 ·½H 2 O) from a natural source and a synthetic by-product of flue gas desulfurization and neutralization to reagent grade hemihydrate. Two common ingredients, borax and kaolin, are mixed into a slurry with distilled water. The analysis supports the hypothesis that minor components in the cast have an effect on the high temperature performance of gypsum casts. The analysis is enhanced when the differential thermal analysis, thermogravimetric analysis, and dilatometry data are combined to study the changes in density versus heat flow. Specifically, the thermal performance is affected by (1) the impurities found in hemihydrate sources; (2) during the fluidization phase, the reaction of borax with free Ca ++ ions to form new borate salts that melt at lower temperatures; and (3) the intercalation of these and other ions with kaolin, providing thermal stability by reducing the formation of thermally active salts.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Study of structure-phase state of oxide films on E110 and E635 alloys at pre- and post-irradiation stages - 2016-0064

SC VNIINM methods have been applied for studying oxide films formed on fuel assemblies during operation in NPP reactors, using the Research Institute of Atomic Reactors' hot cells. Transmission electron microscopy, along with energy-dispersive X-ray spectroscopy, have been applied to study the microstructure, phase, and elements composition of oxide films formed on fuel element cladding samples made of alloys E110 (Zr-1 %Nb) and E635 (Zr-1 %Nb-0.35 %Fe-1.2 %Sn) after the autoclave tests in distilled water, and also after four-year operation (for E110 alloys) and six-year operation (for E635 alloys) in the VVER-1000 reactor. Oxide films formed on the surface of different materials have a different microstructure (grain size, tetragonal phase proportion, presence of defects, etc.) and a different phase composition. Primarily, the crystal structure of oxide films is a monoclinic crystal, but a considerable proportion of the tetragonal phase appears near the 'metal-oxide' interface. Alloys of both types indicate the amorphization of second phase precipitates as the oxide film grows. The study of redistribution of alloying elements between the particles and the oxide film in the E635 alloy shows that iron and niobium are concentrated in pores. The research allows determination of the correlation between the concentration of micropores in the oxide film and an increase in the distance from the 'metal-oxide' interface. The study of the structure-phase state of irradiated oxide films with a thickness ranging from 10 μm (for E110 alloy fuel elements claddings) to 80 μm (formed on the E635 alloy fuel elements claddings) shows the absence of second-phase precipitates within their volume. The research data show that the concentration of micropores in oxide films after irradiation corresponds to concentration of micropores after long-term autoclave tests. Therefore, the reactor irradiation does not result in a change in porosity within the oxide film structure. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2016

Preliminary irradiation effect on corrosion resistance of zirconium alloys - 2016-0067

In order to improve the composition and structure of zirconium alloys, it is important to know how changes in their structure-phase state under irradiation affect various properties, including corrosion. In this work, autoclave corrosion tests were carried out on fuel cladding samples made of zirconium-niobium and zirconium-niobium-tin-iron alloy systems. All samples were preliminarily irradiated in a BOR-60 nuclear reactor at a fluence of 2 X10{sup 26} m{sup -2} (E>0.1 MeV). The autoclave tests of irradiated and unirradiated samples were performed at 350 deg. C for 240 days in distilled water containing 10 ppm lithium and 1,600 ppm boron. The irradiation of all alloys resulted in a significant change in their initial structure-phase state. The content of niobium in b-niobium-phase precipitates was reduced from 80 % to - 90 % to 50 % to - 60 %. Iron atoms from the Laves-phase particles were diffused into a matrix, and their lattice transformed from hexagonal close-packed to body-centered cubic. An average size of the transformed second-phase precipitates in the irradiated alloys increased relatively to an average size of the initial precipitates. Elongated radiation-induced precipitates (RIPs) with an average length up to 7 nm were formed in all alloys under irradiation. In comparison with the unirradiated state, irradiation reduced the corrosion of zirconium-niobium alloys, and this effect became more apparent with increased niobium content in the alloy. For zirconium-niobium-tin-iron alloys, irradiation led to more severe corrosion, mostly because of increasing tin content. Niobium content increased up to 2.37 %, and iron content decreased up to 0.18 % in the alloys, contributing to higher corrosion resistance. An interconnection between the niobium/(tin + iron) alloying parameter, quantity of nanometric precipitates formed therein under irradiation, and their corrosion performance has been suggested. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-entropy materials

We report that primarily over the last decade, the concept of multiple-principal-element metallic materials, commonly referred to as high-entropy alloys, or more generally, high-entropy materials, has taken the field of materials science, particularly structural metallurgy, by storm, at least as measured by the plethora of publications that are focused on this topic. In this article and the following six articles, we attempt to distill what all this is about, with a description of why these materials may be important, why they may differ from traditional materials and how theoretical, computational, and experimental studies can shed light on the science underlying their behavior and potential application.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Carbon Storage Open Database

The Carbon Storage Open Database is a collection of spatial data obtained from publicly available sources published by several NATCARB Partnerships and other organizations. The carbon storage open database was collected from open-source data on ArcREST servers and websites in 2018, 2019, 2021, and 2022. The original database was published on the former GeoCube, which is now EDX Spatial, in July 2020, and has since been updated with additional data resources from the Energy Data eXchange (EDX) and external public data resources. The shapefile geodatabase is available in total, and has also been split up into multiple databases based on the maps produced for EDX spatial. These are topical map categories that describe the type of data, and sometimes the region for which the data relates. The data is separated in case there is only a specific area or data type that is of interest for download. In addition to the geodatabases, this submission contains: 1. A ReadMe file describing the processing steps completed to collect and curate the data. 2. A data catalog of all feature layers within the database. Additional published resources are available that describe the work done to produce the geodatabase: Morkner, P., Bauer, J., Creason, C., Sabbatino, M., Wingo, P., Greenburg, R., Walker, S., Yeates, D., Rose, K. 2022. Distilling Data to Drive Carbon Storage Insights. Computers & Geosciences. https://doi.org/10.1016/j.cageo.2021.104945 Morkner, P., Bauer, J., Shay, J., Sabbatino, M., and Rose, K. An Updated Carbon Storage Open Database - Geospatial Data Aggregation to Support Scaling -Up Carbon Capture and Storage. United States: N. p., 2022. Web. https://www.osti.gov/biblio/1890730 Morkner, P., Rose, K., Bauer, J., Rowan, C., Barkhurst, A., Baker, D.V., Sabbatino, M., Bean, A., Creason, C.G., Wingo, P., and Greenburg, R. Tools for Data Collection, Curation, and Discovery to Support Carbon Sequestration Insights. United States: N. p., 2020. Web. https://www.osti.gov/biblio/1777195 Disclaimer: This project was funded by the United States Department of Energy, National Energy Technology Laboratory, in part, through a site support contract. Neither the United States Government nor any agency thereof, nor any of their employees, nor the support contractor, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.

carbon storage↗
DOE OSTI2023

International Offshore Geologic Carbon Storage Story Map

The International Offshore Geologic Carbon Storage Story Map provides an overview of offshore geologic carbon storage (GCS) project maturity on a global scale. This story map reviews the history of CO2 storage in offshore sedimentary basins, basic geologic requirements, project timelines and lessons learned through defined project stage progression, areas previously studied for potential future domestic offshore GCS development, and regulatory considerations within different global regions. This resource is a distillation of information collected and recorded in the Offshore Geologic Carbon Storage Inventory Version 1.0 (https://edx.netl.doe.gov/dataset/offshore-gcs-data-inventory).

Assessment↗
DOE OSTI2023

IDAES-PSE 2.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.0.0 Release Highlights Removal of deprecated features from IDAES v1 Update to Pyomo v6.5 – this required a number of updates to support the new NL solver writer and to address some changes in Pyomo Creation of new testing suite for backward compatibility, model robustness and verification More general implementation of the Helmholtz EoS. This brings some new features like standard property diagrams, choice of mass or mole basis, and new state variable options Standardizing names in Heat Exchanger models (breaking change from v2.0.0a2): Control Volumes named hot_side and cold_side Ports names hot_side_inlet, hot_side_outlet, cold_side_inlet and cold_side_outlet Config Blocks names hot_side_config and cold_side_config Config arguments for user provided names for each side: hot_side_name and cold_side_name. Updating Keras surrogate tool to use v1.1 of OMLT New prototype API for model initialization (idaes.core.initialization) The new API uses "Model Initializer" objects instead of class methods, allowing for the definition of multiple initialization routines for a single model A number of common, model agnostic initialization routines have also been defined, including initialization from data, block-decomposition and a general hierarchical approach equivalent to the existing method for common unit models New metadata for thermophysical properties – valid_range This can be used to record the range of values over which a property value can be trusted, such as the range of experimental data used to regress parameters A number of new utility functions have been added to check for properties with values outside the valid range and to set bounds based on this metadata Updated construction of balance expressions in Control Volumes to remove unneeded terms In the past, unneeded terms were added as a constant 0 term, however they will now be dropped entirely from the expression This was necessary due to more strict unit checking in the new Pyomo solver writer which no longer ignores 0 terms Updates to metadata for thermophysical properties to better define known properties and units of measurement This results in more strict enforcement of standard naming for thermophysical and reaction properties Users can still define custom properties, but these must be done explicitly using the define_custom_properties() method instead of being implicitly created by add_property() Updated convergence tester utility tool to support definition of benchmark files (JSON format) and comparison of performance to benchmarks Set default iteration limit for IPOPT in IDAES config to 200 iterations Update scaling of example models to work with new Pyomo NL solver writer Improve testing of extensions and examples infrastructure to avoid need for downloading files Updated distillation column to centralize common functionality and remove a number of Pyomo warnings

IDAES↗
DOE OSTI2020

Thermosteam: BioSTEAM's Premier Thermodynamic Engine

Thermosteam is a thermodynamic engine capable of solving mass and energy balances, estimating mixture properties, solving thermodynamic phase equilibria, and modeling stoichiometric reactions. All chemical data in Thermosteam is imported from the chemicals library, an open-source compilation of data and functions for the estimation of pure component chemical and mixture properties. Thermosteam’s fast and flexible platform has enabled the evaluation of conceptual and emerging biochemical production processes. The Biorefinery Simulation and Techno-Economic Analysis Modules (BioSTEAM) — capable of modeling reactors, distillation columns, heat exchangers, and other unit operations — has adopted Thermosteam as its premier thermodynamic engine. Published biorefinery designs modeled in BioSTEAM implement thermodynamic property packages created with Thermosteam, including a cornstover biorefinery for the production of cellulosic ethanol, a lipid-cane biorefinery for the co-production of ethanol and biodiesel, and a wheatstraw biorefinery for the production of cellulosic ethanol.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Montana Integrated Carbon to Liquids (ICTL) Demonstration Program

Integrated carbon-to-liquids technology (ICTL) incorporates three basic processes for the conversion of a wide range of feedstocks to distillate liquid fuels: (1) Direct Microcatalytic Coal Liquefaction (MCL) is coupled with biomass liquefaction via (2) Catalytic Hydrodeoxygenation and Isomerization (CHI) of fatty acid methyl esters (FAME) or trigylceride fatty acids (TGFA) to produce liquid fuels, with process derived (3) CO 2 Capture and Utilization (CCU) via algae production and use in BioFertilizer for added terrestrial sequestration of CO 2 , or as a feedstock for MCL and/or CHI. This novel approach enables synthetic fuels production while simultaneously meeting EISA 2007 Section 526 targets, minimizing land use and water consumption, and providing cost competitive fuels at current day petroleum prices. ICTL was demonstrated with Montana Crow sub-bituminous coal in MCL pilot scale operations at the Energy and Environmental Research Center at the University of North Dakota (EERC), with related pilot scale CHI studies conducted at the University of Pittsburgh Applied Research Center (PARC). Coal-Biomass to Liquid (CBTL) Fuel samples were evaluated at the US Air Force Research Labs (AFRL) in Dayton and greenhouse tests of algae based BioFertilizer conducted at Montana State University (MSU). Econometric modeling studies were also conducted on the use of algae based BioFertilizer in a wheat-camelina crop rotation cycle. We find that the combined operation is not only able to help boost crop yields, but also to provide added crop yields and associated profits from TGFA (from crop production) for use an ICTL plant feedstock. This program demonstrated the overall viability of ICTL in pilot scale operations. Related work on the Life Cycle Assessment (LCA) of a Montana project indicated that CCU could be employed very effectively to reduce the overall carbon footprint of the MCL/CHI process. Plans are currently being made to conduct larger-scale process demonstration studies of the CHI process in combination with CCU to generate synthetic jet and diesel fuels from algae and algae fertilized crops. Site assessment and project prefeasibility studies are planned with a major EPC firm to determine the overall viability of ICTL technology commercialization with Crow coal resources in south central Montana.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Process Design and Economics for the Conversion of Algal Biomass to Hydrocarbons: Whole Algae Hydrothermal Liquefaction and Upgrading

This report provides a preliminary analysis of the costs associated with converting whole wet algal biomass into primarily diesel fuel. Hydrothermal liquefaction converts the whole algae into an oil that is then hydrotreated and distilled. The secondary aqueous product containing significant organic material is converted to a medium btu gas via catalytic hydrothermal gasification.

09 BIOMASS FUELS↗
DOE OSTI2014

Flexibility in 21st Century Power Systems

Flexibility of operation—the ability of a power system to respond to change in demand and supply—is a characteristic of all power systems. Flexibility is especially prized in twenty-first century power systems, with higher levels of grid-connected variable renewable energy (primarily, wind and solar). This paper summarizes the analytic frameworks that have emerged to measure this characteristic and distills key principles of flexibility for policy makers.

21CPP↗
DOE OSTI2014

Preliminary Economics for Hydrocarbon Fuel Production from Cellulosic Sugars

Biorefinery process and economic models built in CHEMCAD and a preliminary, genome-scale metabolic model for the oleaginous yeast Lipomyces starkeyi were used to simulate the bioconversion of corn stover to lipids, and the upgrading of these hydrocarbon precursors to diesel and jet fuel. The metabolic model was based on the recently released genome sequence for L. starkeyi and on metabolic pathway information from the literature. The process model was based on bioconversion, lipid extraction, and lipid oil upgrading data found in literature, on new laboratory experimental data, and on yield predictions from the preliminary L. starkeyi metabolic model. The current plant gate production cost for a distillate-range hydrocarbon fuel was estimated by the process model Base Case to be $\$9.5$ /gallon ($\$9.0$ /gallon of gasoline equivalent) with assumptions of 2011 $\$US$, 10% internal return on investment, and 2205 ton/day dry feed rate. Opportunities for reducing the cost to below $\$5.0$ /gallon, such as improving bioconversion lipid yield and hydrogenation catalyst selectivity, are presented in a Target Case. The process and economic models developed for this work will be updated in 2014 with new experimental data and predictions from a refined metabolic network model for L. starkeyi. Attaining a production cost of $\$3.0$ /gallon will require finding higher value uses for lignin other than power generation, such as conversion to additional fuel or to a co-product.

Collett, James R.↗
DOE OSTI2014

Advancing Development and Greenhouse Gas Reductions in Vietnam's Wind Sector

Clean energy development is a key component of Vietnam's Green Growth Strategy, which establishes a target to reduce greenhouse gas (GHG) emissions from domestic energy activities by 20-30 percent by 2030 relative to a business-as-usual scenario. Vietnam has significant wind energy resources, which, if developed, could help the country reach this target while providing ancillary economic, social, and environmental benefits. Given Vietnam's ambitious clean energy goals and the relatively nascent state of wind energy development in the country, this paper seeks to fulfill two primary objectives: to distill timely and useful information to provincial-level planners, analysts, and project developers as they evaluate opportunities to develop local wind resources; and, to provide insights to policymakers on how coordinated efforts may help advance large-scale wind development, deliver near-term GHG emission reductions, and promote national objectives in the context of a low emission development framework.

17 WIND ENERGY↗
DOE OSTI2013

Solid-State Lighting: Early Lessons Learned on the Way to Market

The purpose of this report is to document early challenges and lessons learned in the solid-state lighting (SSL) market development as part of the DOE’s SSL Program efforts to continually evaluate market progress in this area. This report summarizes early actions taken by DOE and others to avoid potential problems anticipated based on lessons learned from the market introduction of compact fluorescent lamps and identifies issues, challenges, and new lessons that have been learned in the early stages of the SSL market introduction. This study identifies and characterizes12 key lessons that have been distilled from DOE SSL program results.

CFLs↗
DOE OSTI2015

ORNL’s Envelope Stakeholder Workshop Proceedings

The 2015 Building Envelope Stakeholder Workshop hosted by Oak Ridge National Laboratory (ORNL) brought together representatives from diverse public and private entities. Presenters included senior Department of Energy (DOE) officials, ORNL personnel, and a myriad of corporate partners. To promote the use of energy-efficient technologies in commercial and residential buildings, the following issues were discussed: (1) Identifying current and anticipated barriers to the adoption of energy-efficient commercial envelope technologies; (2) Reviewing emerging and market-ready applications for new and existing commercial buildings; (3) Defining a path forward for commercial envelope products; and (5) Discussing and soliciting feedback on DOE’s strategic research road map for high-performance, moisture-managed envelope solutions for residential buildings This summary report describes key findings derived from these discussions as well as a distillation of the many discussions that unfolded during the event. It is hoped that it will be used not only to transmit this information to interested parties but also, more important, to foster continuing discussion and encourage input useful in furthering the broader goals of fostering the adoption of energy-efficient building technologies across various markets.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Integrated Experimental and Modeling Studies of Mineral Carbonation as a Mechanism for Permanent Carbon Sequestration in Mafic/Ultramafic Rocks

A program of laboratory experiments, modeling and fieldwork was carried out at Yale University, University of Maryland, and University of Hawai‘i, under a DOE Award (DE-FE0004375) to study mineral carbonation as a practical method of geologic carbon sequestration. Mineral carbonation, also called carbon mineralization, is the conversion of (fluid) carbon dioxide into (solid) carbonate minerals in rocks, by way of naturally occurring chemical reactions. Mafic and ultramafic rocks, such as volcanic basalt, are natural candidates for carbonation, because the magnesium and iron silicate minerals in these rocks react with brines of dissolved carbon dioxide to form carbonate minerals. By trapping carbon dioxide (CO 2 ) underground as a constituent of solid rock, carbonation of natural basalt formations would be a secure method of sequestering CO 2 captured at power plants in efforts to mitigate climate change. Geochemical laboratory experiments at Yale, carried out in a batch reactor at 200°C and 150 bar (15 MPa), studied carbonation of the olivine mineral forsterite (Mg 2 SiO 4 ) reacting with CO 2 brines in the form of sodium bicarbonate (NaHCO 3 ) solutions. The main carbonation product in these reactions is the carbonate mineral magnesite (MgCO 3 ). A series of 32 runs varied the reaction time, the reactive surface area of olivine grains and powders, the concentration of the reacting fluid, and the starting ratio of fluid to olivine mass. These experiments were the first to study the rate of olivine carbonation under passive conditions approaching equilibrium. The results show that, in a simple batch reaction, olivine carbonation is fastest during the first 24 hours and then slows significantly and even reverses. A natural measure of the extent of carbonation is a quantity called the carbonation fraction, which compares the amount of carbon removed from solution, during a run, to the maximum amount that could have been removed if the olivine initially present had fully dissolved and the cations released had subsequently precipitated in carbonate minerals. The carbonation fractions observed in batch experiments with olivine grains and powders varied significantly, from less than 0.01 (1%) to more than 0.5 (50%). Over time, the carbonation fractions reached an upper limit after about 24 to 72 hours of reaction, then stayed constant or decreased. The peak Final Scientific/Technical Report DE-FE0004275 | Mineral Carbonation | 4 coincided with the appearance of secondary magnesium-bearing silicate minerals, whose formation competes for magnesium ions in solution and can even promote conditions that dissolve magnesite. The highest carbonation fractions resulted from experiments with low ratios of concentrated solution to olivine, during which amorphous silica spheres or meshes formed, instead of secondary silicate minerals. The highest carbonation fractions appear to result from competing effects. Precipitation of silica layers on olivine reduces the reactive surface area and, thus, the rate of olivine dissolution (which ultimately limits the carbonation rate), but these same silica layers can also inhibit the formation of secondary silicate minerals that consume magnesite formed in earlier stages of carbonation. Simulation of these experiments with simple geochemical models using the software program EQ3/6 reproduces the general trends observed—especially the results for the carbonation fraction in short-run experiments. Although further experimentation and better models are needed, this study nevertheless provides a framework for understanding the optimal conditions for sequestering carbon dioxide by reacting CO 2 -bearing fluids with rocks containing olivine minerals. A series of experiments at the Rock Physics Laboratory at the University of Maryland studied the carbonation process during deformation of thermally cracked olivine-rich rock samples (dunite) saturated with CO 2 brines of varying compositions. A goal of these geomechanical experiments was to see if flow and deformation processes, which accompany natural carbonation reactions in underground settings, work to enhance or inhibit the reactions. The experiments involved hydrostatic compaction, followed by deformation at a constant rate of strain. Sample permeability was monitored during the reactions. Comparison of the samples’ volume changes to their axial strains (shortening) during deformation indicates that samples reacted with CO 2 -saturated brines accommodate more axial compaction, before the onset of dilation (a swelling that precedes rock failure), than samples reacted with distilled water. Analyses of the reacted samples with scanning electron microscope (SEM) images indicate, first, that dissolution of olivine occurring in the initial stages of carbonation can provide pathways to fluid flow that sustain the reaction, and, second, that carbonate minerals precipitated along existing fractures in the rocks may serve as asperities, or roughness on a crack’s surface that restricts its closure. Final Scientific/Technical Report DE-FE0004275 | Mineral Carbonation | 5 In a related study undertaken by one of the principal investigators as a spin-off of the main project, a simple model of (magnesite) crystal growth in the pore space of basalts undergoing carbonation was developed. The model suggests that, under a carefully controlled program of CO 2 injection, carbonate mineral growth can harden the rock formation against earthquakes that might otherwise be induced by the injection of large fluid volumes (Yarushina and Bercovici, 2013). The overall conclusion of the research project is that mineral carbonation of underground mafic and ultramafic rock formations is a viable candidate for long-term sequestration of man-made carbon dioxide. No results obtained during the project indicate that the method is inherently intractable in its implementation; moreover, enormous volumes of basalt near Earth’s surface are candidate locations for large-scale injection programs. The geochemical experiments do indicate, however, that there will be significant engineering challenges in maintaining high rates of carbonation, by delaying the onset of chemical conditions that promote formation of secondary silicate minerals and, therefore, slow down, or even reverse, the carbonation process. It remains an open question as to whether carbonation processes can be sustained for many years in an engineered system operating on a large scale—a scale capable of accommodating millions of tons of CO 2 annually. The development of realistic theoretical models that can systematically describe the combined effects of reactive flow, precipitation and geomechanical deformation is a major barrier to further understanding of the practical viability of mineral carbonation as large-scale method of carbon sequestration.

58 GEOSCIENCES↗
DOE OSTI2015

High Performance Data Analytics on a Commodity Private Cloud

Sandia is researching novel methods of analysis for large datasets. The term “Big Data” has been used frequently in recent years to describe a discipline of computer science that attempts to distil an increasing quantity of data into a result or meaningful subset that can be easily visualized and acted upon by human consumers. These data are frequently characterized by one or more of the following: high volume, velocity, variety, and veracity. Sandia scientists and researchers are no strangers to large datasets, which often typify the result of high-performance computing workloads. The challenge for Sandia data scientists, however, comes at the arrival of exascale computing, which has become mandated by executive order for national computing centers. Because of power and networking limitations, exascale computing precludes the movement of datasets at exascale from data production to data analysis. Such analysis must be done in-situ, to mitigate the time and power costs of network transport. Currently, many of Sandia’s data analytics environments exist as independent entities, often specialized for individual use cases, interconnected to other data analytics, high-performance computing, and storage systems. Sandia is procuring, installing, and researching future platforms for such data analytics. A memory footprint of 256 GB per node, fourteen data rate (FDR) InfiniBand networking, PCIe connected non-volatile memory (NVMe) data storage, and an object data store will characterize the coming institutional data analytics platforms. The combined systems will contain 300 compute nodes. A cloud-inspired software stack resulting from collaboration between the Sandia centers will allow the systems to support a flexible mix of user and system-facing workloads and use cases including code development and testing in R and Python, Apache Hadoop and Spark, distributed in-memory databases, graph analytics, emulytics, system log and predictive analytics, and data visualization for institutional and mission customers. These systems will arrive at the end of FY 2015 and production is planned by the spring of FY 2016.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Evaluation of Strontium Selectivity by Sandia Octahedral Molecular Sieves (SOMS).

Sandia National Laboratories has collaborated with Pleasanton Ridge Research Company (PRRC) to determine whether Sandia Octahedral Molecular Sieves (SOMS) and modified SOMs materials can be synthesized in large batches and produced in granular form. Sandia National Laboratories tested these SOMS and its variants based in aqueous chemical environments for an application-based evaluation of material performance as a sorbent. Testing focused primarily on determining the distribution coefficients (K d ) and chemical selectivity SOMs for alkali earth (Sr) ions in aqueous and dilute seawater solutions. In general the well-crystallized SOMS materials tested exhibited very high K d values (>10 6 ) in distilled water but K d values dropped substantially (%7E10 2 -10 3 ) in the dilute seawater (3%). However, one set of SOMS samples (1.4.2 and 1.4.6) provided by PRRC yielded relatively high K d (approaching 10 4 ) in dilute seawater. Further examination of these samples by scanning electron microscopy (SEM) revealed the presence of at least two phases at least one of which may be accounting for the improved K d values in dilute seawater. Evaluation of Strontium Selectivity by Sandia Octahedral Molecular Sieves (SOMS) January 20, 2016

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗