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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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DOE OSTI2014

10 MW Supercritical CO 2 Turbine Test

The Supercritical CO 2 Turbine Test project was to demonstrate the inherent efficiencies of a supercritical carbon dioxide (s-CO 2 ) power turbine and associated turbomachinery under conditions and at a scale relevant to commercial concentrating solar power (CSP) projects, thereby accelerating the commercial deployment of this new power generation technology. The project involved eight partnering organizations: NREL, Sandia National Laboratories, Echogen Power Systems, Abengoa Solar, University of Wisconsin at Madison, Electric Power Research Institute, Barber-Nichols, and the CSP Program of the U.S. Department of Energy.

14 SOLAR ENERGY↗

DOE OSTI2016

Proposal of a Novel Approach to Developing Material Models for Micro-scale Composites Based on Testing and Modeling of Macro-scale Composites

The Los Alamos National Laboratory's Weapon Systems Engineering division's Advanced Engineering Analysis group employs material constitutive models of composites for use in simulations of components and assemblies of interest. Experimental characterization, modeling and prediction of the macro-scale (i.e. continuum) behaviors of these composite materials is generally difficult because they exhibit nonlinear behaviors on the meso- (e.g. micro-) and macro-scales. Furthermore, it can be difficult to measure and model the mechanical responses of the individual constituents and constituent interactions in the composites of interest. Current efforts to model such composite materials rely on semi-empirical models in which meso-scale properties are inferred from continuum level testing and modeling. The proposed approach involves removing the difficulties of interrogating and characterizing micro-scale behaviors by scaling-up the problem to work with macro-scale composites, with the intention of developing testing and modeling capabilities that will be applicable to the mesoscale. This approach assumes that the physical mechanisms governing the responses of the composites on the meso-scale are reproducible on the macro-scale. Working on the macro-scale simplifies the quantification of composite constituents and constituent interactions so that efforts can be focused on developing material models and the testing techniques needed for calibration and validation. Other benefits to working with macro-scale composites include the ability to engineer and manufacture—potentially using additive manufacturing techniques—composites that will support the application of advanced measurement techniques such as digital volume correlation and three-dimensional computed tomography imaging, which would aid in observing and quantifying complex behaviors that are exhibited in the macro-scale composites of interest. Ultimately, the goal of this new approach is to develop a meso-scale composite modeling framework, applicable to many composite materials, and the corresponding macroscale testing and test data interrogation techniques to support model calibration.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Development of Self-Powered Wireless-Ready High Temperature Electrochemical Sensors for In-Situ Corrosion Monitoring for Boiler Tubes in Next Generation Coal-based Power Systems

The key innovation of this project is the synergy of the high temperature sensor technology based on the science of electrochemical measurement and state-of-the-art wireless communication technology. A novel self-powered wireless high temperature electrochemical sensor system has been developed for coal-fired boilers used for power generation. An initial prototype of the in-situ sensor demonstrated the capability of the wireless communication system in the laboratory and in a pilot plant (Industrial USC Boiler Setting) environment to acquire electrochemical potential and current signals during the corrosion process. Uniform and localized under-coal ash deposit corrosion behavior of Inconel 740 superalloy has been studied at different simulated coal ash hot corrosion environments using the developed sensor. Two typical potential noise patterns were found to correlate with the oxidation and sulfidation stages in the hot coal ash corrosion process. Two characteristic current noise patterns indicate the extent of the corrosion. There was a good correlation between the responses of electrochemical test data and the results from corroded surface analysis. Wireless electrochemical potential and current noise signals from a simulated coal ash hot corrosion process were concurrently transmitted and recorded. The results from the performance evaluation of the sensor confirm a high accuracy in the thermodynamic and kinetic response represented by the electrochemical noise and impedance test data.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

Experimental Determination of Demand Response Control Models and Cost of Control for Ensembles of Window-Mount Air Conditioners

Control of consumer electrical devices for providing electrical grid services is expanding in both the scope and the diversity of loads that are engaged in control, but there are few experimentally-based models of these devices suitable for control designs and for assessing the cost of control. A laboratory-scale test system is developed to experimentally evaluate the use of a simple window-mount air conditioner for electrical grid regulation services. The experimental test bed is a single, isolated air conditioner embedded in a test system that both emulates the thermodynamics of an air conditioned room and also isolates the air conditioner from the real-world external environmental and human variables that perturb the careful measurements required to capture a model that fully characterizes both the control response functions and the cost of control. The control response functions and cost of control are measured using harmonic perturbation of the temperature set point and a test protocol that further isolates the air conditioner from low frequency environmental variability.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Measurement of Laser Weld Temperatures for 3D Model Input

Laser welding is a key joining process used extensively in the manufacture and assembly of critical components for several weapons systems. Sandia National Laboratories advances the understanding of the laser welding process through coupled experimentation and modeling. This report summarizes the experimental portion of the research program, which focused on measuring temperatures and thermal history of laser welds on steel plates. To increase confidence in measurement accuracy, researchers utilized multiple complementary techniques to acquire temperatures during laser welding. This data serves as input to and validation of 3D laser welding models aimed at predicting microstructure and the formation of defects and their impact on weld-joint reliability, a crucial step in rapid prototyping of weapons components.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

White Paper on Dish Stirling Technology: Path Toward Commercial Deployment

Dish Stirling energy systems have been developed for distributed and large-scale utility deployment. This report summarizes the state of the technology in a joint project between Stirling Energy Systems, Sandia National Laboratories, and the Department of Energy in 2011. It then lays out a feasible path to large scale deployment, including development needs and anticipated cost reduction paths that will make a viable deployment product.

14 SOLAR ENERGY↗

DOE OSTI2018

FY17 LLNL LDRD Annual Report

The LDRD Program achieves continual improvement through internal and external reviews of Program management, execution, and oversight of each LDRD project. In accordance with DOE Order 226.1B of the prime contract between NNSA and Lawrence Livermore National Security, LLC, a contractor-assurance system is in place at the Laboratory; the LDRD office uses this system and tools provided to support improvements in LDRD Program performance. The FY17 portfolio was carefully structured to promote the Program’s vigorous strategic vision and the long-term goals of DOE, NNSA, and Livermore.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2018

Iodobutane Deep Bed Adsorption Test Report

The Department of Energy (DOE) Nuclear Technology Research and Development (NTRD) Program Material Recovery and Waste Form Development (MRWFD) Campaign Off-gas Sigma Team has supported research and development on iodine control and iodine waste forms for the past several years. As a part of this on-going research, two deep-bed iodobutane adsorption tests have been performed with higher NO x levels. High (>1,000) iodine decontamination factors (DFs, the ratios of the inlet iodine concentrations divided by the outlet iodine concentrations, when the gas flowrate is constant) were achieved with both the silver aerogel and silver zeolite sorbents. The iodine adsorption mass transfer zone (the depth of the sorbent bed in which adsorption is occurring at any specific time) for these tests was estimated at 4 inches for both sorbents under the test conditions. Silver utilization for silver aerogel sorbent reached 41% (up to 12 g adsorbed iodine per 100 g silver aerogel sorbent), while silver utilization reached 43% (up to 6.8 g adsorbed iodine per 100 g silver zeolite sorbent). These values are generally consistent with results for prior methyl iodide adsorption tests. The results also indicate that, during iodine adsorption process, the organic iodide molecule decomposes so that the iodine can be adsorbed. Even when sorbent breakthrough is reached, the organic iodide molecule continues to decompose; and the unadsorbed iodine that passes through bed is no longer in the form of the original organic iodide; but in the form of iodine compounds that are soluble in NaOH solutions, such as HI or I 2 . This research and development has included iodine adsorption tests using a laboratory-scale test system containing segmented fixed beds of iodine adsorbents in series. Non-radioactive synthetic gas mixtures were blended from air, nitrogen, NO, NO 2 , water, and the target iodine compounds to represent dissolver off-gas (DOG) streams from used nuclear fuel aqueous reprocessing.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

Research and Testing of Power Use of HPC Workload of Participant's HPC System

This CRADA (1) facilitates relocation of the Board of Trustees of the Colorado School of Mines, for and on behalf of the Colorado School of Mines, (MINES or Participant) International Business Machines Corporation (IBM) supercomputing system into the National Renewable Energy Laboratory's (NREL or Contractor) Energy Systems Integration Facility (ESIF). This CRADA (1) facilitates testing High Performance Computing (HPC) application platform portability, scalability, electrical energy use, and performance for applications critical to each organization; (2) facilitates use of the existing facility electrical and thermal data collection systems at Contractor ESIF in support of characterizing HPC workload power use characterization; and (3) facilitates addition of application power use data on the Participant IBM supercomputing system into the Contractor ESIF Time Series data system to use/re-use existing methodology to profile application power use.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Background and Roadmap for a Distributed Computing and Data Ecosystem

The drivers for using distributed computing and data resources are emerging from many science domains and have been documented through several recent Department of Energy (DOE) workshop reports. The increased usage and availability of geographically distributed computing and storage resources also highlight the need for easy-to-use tools and procedures that can support the paradigm of distributed computing and data management transparently. Aiming to meet each laboratory’s programmatic needs, a variety of computing resources are available throughout the DOE complex under various access policies, operating systems, and hardware configurations. However, today no straightforward mechanisms or policies exist for a given researcher or group of researchers to easily access resources at different locations across the DOE laboratory system. At the same time, DOE research programs have supported the research and development of technologies and tools that could enable researchers to access distributed data and computing resources globally. Academic and industry activities have also developed mechanisms for the distributed federation of resources. We observe that such existing capabilities can be harnessed to create mechanisms that enable researchers to work seamlessly across facilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Data driven learning of robust nonlocal models

Nonlocal models use integral operators that embed length-scales in their definition. However, the integrands in these operators are difficult to define from the data that are typically available for a given physical system, such as laboratory mechanical property tests. In contrast, molecular dynamics (MD) does not require these integrands, but it suffers from computational limitations in the length and time scales it can address. To combine the strengths of both methods and to obtain a coarse-grained, homogenized continuum model that efficiently and accurately captures materials' behavior, we propose a learning framework to extract, from MD data, an optimal nonlocal model as a surrogate for MD displacements. Our framework guarantees that the resulting model is mathematically well-posed, physically consistent, and that it generalizes well to settings that are different from the ones used during training. The efficacy of this approach is demonstrated with several numerical tests for single layer graphene both in the case of perfect crystal and in the presence of thermal noise.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A data-driven peridynamic continuum model for upscaling molecular dynamics

Nonlocal models, including peridynamics, often use integral operators that embed lengthscales in their definition. However, the integrands in these operators are difficult to define from the data that are typically available for a given physical system, such as laboratory mechanical property tests. In contrast, molecular dynamics (MD) does not require these integrands, but it suffers from computational limitations in the length and time scales it can address. To combine the strengths of both methods and to obtain a coarse-grained, homogenized continuum model that efficiently and accurately captures materials’ behavior, we propose a learning framework to extract, from MD data, an optimal Linear Peridynamic Solid (LPS) model as a surrogate for MD displacements. To maximize the accuracy of the learnt model we allow the peridynamic influence function to be partially negative, while preserving the well-posedness of the resulting model. To achieve this, we provide sufficient well-posedness conditions for discretized LPS models with sign-changing influence functions and develop a constrained optimization algorithm that minimizes the equation residual while enforcing such solvability conditions. This framework guarantees that the resulting model is mathematically well-posed, physically consistent, and that it generalizes well to settings that are different from the ones used during training. We illustrate the efficacy of the proposed approach with several numerical tests for single layer graphene. Our two-dimensional tests show the robustness of the proposed algorithm on validation data sets that include thermal noise, different domain shapes and external loadings, and discretizations substantially different from the ones used for training.

homogenization↗

DOE OSTI2021

Evaluation of Apex Alpha with LabWare-LIMS Data Reduction for Alpha Analyses

Savannah River Site's Environmental Bioassay Laboratory is migrating its laboratory information management system (LIMS) from SQL-LIMS to Oracle Labware-LIMS (LW-LIMS) systems to align with the Department of Energy's cyber security policies. Concurrently with the LIMS upgrade, the current VMS based Alpha Measurement System (AMS) software is being replaced with Apex Alpha software to reduce other cyber vulnerabilities, streamline procedural production aspects of data handling, and improve outdated reduction processes to align the program with requirements outlined in ANSI N13.30. The primary technical changes which are being implemented are: - Reagent contributions are added in data reduction, - Moving average background equivalent activity are used for gross signal corrections, - Measured uncertainty of both are included in the decision level and propagated uncertainty, - Tracer levels are increased for precision and accuracy improvements, and - Reports are modified for compliance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Dynamic Binary Complexes (DBC) as Super-Adjustable Viscosity Modifiers for Hydraulic Fracturing Fluids

In the preceding project year two, we refined three DBC formulations from a selection of over 50 different chemistries. The optimization study primarily encompassed testing for (i) reversibility extent, (ii) performance in the presence of chemical additives, (iii) adhesion and friction behavior during displacement in wellbores and pipelines, (iv) corrosion protection performance, and (v) injection performance with model fracture systems at the laboratory scale. Highly promising results obtained from all these tests signify the significant potential of DBCs in enhancing hydrocarbon recovery from unconventional reservoirs. The primary activities in the third project year included publishing experimental findings across multiple articles and conducting outreach initiatives. Throughout the year, we undertook tasks such as replicating experimental results, further optimizing various formulations and their associated experimental sets, and conducting additional tests to address missing components based on reviewer feedback and suggestions. We also explored the surfactant and friction-reduction aspects of selected formulations through drag reduction tests. In addition, we constructed an improved fracturing performance setup and performed flow injection tests. The specific DBC formulations focused on during this project period were A8/B1, A12/B5, and A10/B12. We also obtained results for additional DBC formulations and a select few commercial fracturing fluids for the purpose of comparison. Within the project's scope, we aim to enhance the experimental findings with the development of various models. The first two years focused on two key aspects: (i) the creation of a high-fidelity hydraulic fracturing model for non-Newtonian fluids to gain insights into the implementation of DBC fluids in fracking environments, and (ii) the development of a multiphase flow simulator for estimating total production, fluid saturation in the reservoir, and the creation of a fracture propagation model and kinetic Monte Carlo (kMC) models for diverse applications. In the third year, we delved into the fundamental nanostructural properties of DBCs, exploring aspects such as material chemistry, pH tunability, and control of DBC formation and stability. Subsequently, in the extension year, we conducted a systematic investigation of various building blocks containing primary, secondary, and tertiary amine functional groups to understand their impact on rheological and viscoelastic properties. Furthermore, we explored a Dissipative Particle Dynamics (DPD) model to simulate self-assembly processes with precision, creating a high-fidelity representation of relevant nanostructures. The tasks performed this year with the significant results obtained have been discussed in Section 2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Iodine Sorption on AgZ-PAN

The Department of Energy (DOE) Nuclear Fuel Cycle and Supply Chain Program Material Recovery and Waste Form Development (MRWFD) Campaign Off-gas Sigma Team has performed research and development on iodine control and iodine waste forms for the past several years. This research and development has included iodine adsorption tests using a laboratory-scale test system containing multiple-segmented fixed beds of iodine adsorbents. Iodine capture performance has been tested using (a) non-radioactive synthetic gas mixtures blended from air, nitrogen, NO, NO 2 , water, to simulate dissolver off-gas (DOG) and vessel off-gas (VOG) streams from used nuclear fuel aqueous reprocessing, (b) inorganic and organic iodine species, and (c) different sorbents. An initial test of silver-functionalized mordenite in polyacrylonitrile matrix (AgZ-PAN) was conducted to assess if this sorbent, initially designed for selective sorption of Xe that evolves into used fuel reprocessing off-gas streams, could also be a candidate for iodine sorption. This test was conducted using the same deep-bed test system and methodologies used in many prior iodine sorption tests using other sorbents. Diatomic iodine (I2) was used as the target iodide in a gas stream containing air, NO, NO 2 , and moisture designed to simulate an aqueous reprocessing dissolver off-gas (DOG) stream.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Organic Iodine Capture from Vessel Off-gas

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

DOE OSTI2016

Assessing Marine Microbial Induced Corrosion at Santa Catalina Island, California

High iron and eutrophic conditions are reported as environmental factors leading to accelerated low-water corrosion, an enhanced form of near-shore microbial induced corrosion. To explore this hypothesis, we deployed flow-through colonization systems in laboratory-based aquarium tanks under a continuous flow of surface seawater from Santa Catalina Island, CA, USA, for periods of 2 and 6 months. Substrates consisted of mild steel – a major constituent of maritime infrastructure – and the naturally occurring iron sulfide mineral pyrite. Four conditions were tested: free-venting “high-flux” conditions; a “stagnant” condition; an “active” flow-through condition with seawater slowly pumped over the substrates; and an “enrichment” condition where the slow pumping of seawater was supplemented with nutrient rich medium. Electron microscopy analyses of the 2-month high flux incubations document coating of substrates with “twisted stalks,” resembling iron oxyhydroxide bioprecipitates made by marine neutrophilic Fe-oxidizing bacteria (FeOB). Six-month incubations exhibit increased biofilm and substrate corrosion in the active flow and nutrient enriched conditions relative to the stagnant condition. A scarcity of twisted stalks was observed for all 6 month slow-flow conditions compared to the high-flux condition, which may be attributable to oxygen concentrations in the slow-flux conditions being prohibitively low for sustained growth of stalk-producing bacteria. All substrates developed microbial communities reflective of the original seawater input, as based on 16S rRNA gene sequencing. Deltaproteobacteria sequences increased in relative abundance in the active flow and nutrient enrichment conditions, whereas Gammaproteobacteria sequences were relatively more abundant in the stagnant condition. These results indicate that (i) high-flux incubations with higher oxygen availability favor the development of biofilms with twisted stalks resembling those of marine neutrophilic FeOB and (ii) long-term nutrient stimulation results in substrate corrosion and biofilms with different bacterial community composition and structure relative to stagnant and non-nutritionally enhanced incubations. Similar microbial succession scenarios, involving increases in nutritional input leading to the proliferation of anaerobic iron and sulfur-cycling guilds, may occur at the nearby Port of Los Angeles and cause potential damage to maritime port infrastructure.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Dynamics of Aspen Roots Colonization by Pseudomonads Reveals Strain-Specific and Mycorrhizal-Specific Patterns of Biofilm Formation

Rhizosphere-associated Pseudomonas fluorescens are known plant growth promoting (PGP) and mycorrhizal helper bacteria (MHB) of many plants and ectomycorrhizal fungi. We investigated the spatial and temporal dynamics of colonization of mycorrhizal and non-mycorrhizal Aspen seedlings roots by the P. fluorescens strains SBW25, WH6, Pf0-1, and the P. protegens strain Pf-5. Seedlings were grown in laboratory vertical plates systems, inoculated with a fluorescently labeled Pseudomonas strain, and root colonization was monitored over a period of 5 weeks. We observed unexpected diversity of bacterial assemblies on seedling roots that changed over time and were strongly affected by root mycorrhization. P. fluorescens SBW25 and WH6 stains developed highly structured biofilms with internal void spaces forming channels. On mycorrhizal roots bacteria appeared encased in a mucilaginous substance in which they aligned side by side in parallel arrangements. The different phenotypic classes of bacterial assemblies observed for the four Pseudomonas strains were summarized in a single model describing transitions between phenotypic classes. Our findings also reveal that bacterial assembly phenotypes are driven by interactions with mucilaginous materials present at roots.

59 BASIC BIOLOGICAL SCIENCES↗