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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

Saturn Facility Oil Transfer Automation System

The Saturn accelerator, owned by Sandia National Laboratories, has been in operation since the early 1980s and still has many of the original systems. A critical legacy system is the oil transfer system which transfers 250,000 gallons of transformer oil from outside storage tanks to the Saturn facility. The oil transfer system was identified for upgrade to current technology standards. Using the existing valves, pumps, and relay controls, the system was automated using the National Instruments cRIO FGPA platform. Engineered safety practices, including a failure mode effects analysis, were used to develop error handling requirements. The uniqueness of the Saturn Oil Automated Transfer System (SOATS) is in the graphical user interface. The SOATS uses an HTML interface to communicate to the cRIO, creating a platform independent control system. The SOATS was commissioned in April 2013.

02 PETROLEUM↗

DOE OSTI2015

Final Technical Report for the Energy Frontier Research Center Understanding Charge Separation and Transfer at Interfaces in Energy Materials (EFRC:CST)

Our EFRC was founded with the vision of creating a broadly collaborative and synergistic program that would lead to major breakthroughs in the molecular-level understanding of the critical interfacial charge separation and charge transfer (CST) processes that underpin the function of candidate materials for organic photovoltaic (OPV) and electrical-energy-storage (EES) applications. Research in these energy contexts shares an imposing challenge: How can we understand charge separation and transfer mechanisms in the presence of immense materials complexity that spans multiple length scales? To address this challenge, our 50-member Center undertook a total of 28 coordinated research projects aimed at unraveling the CST mechanisms that occur at interfaces in these nanostructured materials. This rigorous multi-year study of CST interfaces has greatly illuminated our understanding of early-timescale processes (e.g., exciton generation and dissociation dynamics at OPV heterojunctions; control of Li+-ion charging kinetics by surface chemistry) occurring in the immediate vicinity of interfaces. Program outcomes included: training of 72 graduate student and postdoctoral energy researchers at 5 institutions and spanning 7 academic disciplines in science and engineering; publication of 94 peer-reviewed journal articles; and dissemination of research outcomes via 340 conference, poster and other presentations. Major scientific outcomes included: implementation of a hierarchical strategy for understanding the electronic communication mechanisms and ultimate fate of charge carriers in bulk heterojunction OPV materials; systematic investigation of ion-coupled electron transfer processes in model Li-ion battery electrode/electrolyte systems; and the development and implementation of 14 unique technologies and instrumentation capabilities to aid in probing sub-ensemble charge separation and transfer mechanisms.

14 SOLAR ENERGY↗

DOE OSTI2016

Modeling Electric Double Layer Effects on Charge Transfer at Flow Battery Electrode/Electrolyte Interfaces

The proposal aims to model interfacial processes associated with redox flow batteries (RFB) for grid/stationary storage, with the ultimate goal of helping design new electrolytes, electrodes, redox species, and interfaces. It addresses the linked problems of electric double layer (EDL) structure and electron transfer at model electrode/electrolyte interfaces. Fast electron transfer partly determines which redox species are viable for flow batteries (along with solubility, viscosity, etc.). Commercial systems apply aqueous, vanadium-based complexes, but other choices and organic electrolytes with larger voltage windows are the subject of active research at Sandia and elsewhere. The high salt concentration present in flow battery electrolytes yields non-trivial EDL consisting of solvents, counter-ions, co-ions, and redox species (at different charge states at the charging voltage threshold). EDL strongly influences electron transfer, especially when redox “mediators” are used. Modeling this key missing information is the main challenge. Our proposal seeks to apply Sandia’s LAMMPS molecular dynamics code. As a proof of principle, we study minimal model systems (graphite electrode, with ferrocene and fluornone as redox-active species). These model "catholyte" and "anolyte" molecules exhibit low reorganization energies (in the sense of Marcus theory) and are most amenable to EDL simulations which involve switching of redox states to mimic electron transfer. This study will enable future modeling and design of redox species relevant to flow batteries and redox mediators used at Sandia for other purposes.

25 ENERGY STORAGE↗

DOE OSTI2017

Two-dimensional material based layer transfer (2DLT) for low-cost, high-throughput, high-efficiency solar cells

The objective of this project is to develop two-dimensional material-based layer transfer (2DLT) for high-efficiency, low-cost III-V solar cells. More specifically, in short term, the team will develop 2DLT for cost-cost, high-throughput GaAs single-junction solar cells. The team will develop ultraclean high yield graphene transfer on GaAs and optimize the remote homoepitaxy process to obtain dislocation-free single-crystalline GaAs on graphene whose crystalline quality is identical to that of the GaAs wafer [1,2]. The team will develop the 2DLT process for a solar cell with highest achievable efficiency. The team will also strive to target GaAs solar cells with efficiency of 25~29% before and after the transfer, and reuse the substrate multiple times without CMP by damage-free transfer process enabled by 2DLT. Our team is partnered with industrial collaborators to obtain World record efficiency of flexible GaAs solar cells. Once the concept is fully realized for the GaAs solar cells, the team will expand the concept for multiple-junction solar cell targeting 35% efficiency with the 2DLT process in other projects.

14 SOLAR ENERGY↗

DOE OSTI2020

Experimental and Theoretical Studies of Ultrafast Vibrational Energy Transfer Dynamics in Energetic Materials

Energy transfer through anharmonically-coupled vibrations influences the earliest chemical steps in shockwave-induced detonation in energetic materials. A mechanistic description of vibrational energy transfer is therefore necessary to develop predictive models of energetic material behavior. We performed transient broadband infrared spectroscopy on hundreds of femtoseconds to hundreds of picosecond timescales as well as density functional theory and molecular dynamics simulations to investigate the evolution of vibrational energy distribution in thin film samples of pentaerythritol tetranitrate (PETN) , 1,3,5 - trinitroperhydro - 1,3,5 - triazine (RDX) , and 2,4,6 - triamino 1,3,5 - trinitrobenzene (TATB). Experimental results show dynamics on multiple timescales, providing strong evidence for coupled vibrations in these systems, as well as material-dependent evolution on tens to hundreds of picosecond timescales. Theoretical results also reveal pathways and distinct timescales for energy transfer through coupled vibrations in the three investigated materials, providing further insight into the mechanistic underpinnings of energy transfer dynamics in energetic material sensitivity.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Data Transfer Tool (HPC Annual Report V.3.1)

Sandia has been developing and supporting data transfer tools for over 20 years and has the expertise to take DOE into the Extreme Scale era. In looking at Exascale and beyond (Extreme Scale Computing), data sets can be thousands of 500TBs in size, a single file can be in the 100TB range, and billions of files are expected. Huge bursts of data need to be transferred, even today. While data archiving is often not thought about, it is an integral part of the full data management path when data is generated on HPC systems. In order to move generated data to its final resting place (data archive) or to transfer between file systems, a capable data transfer tool is required.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Modifying Amine Solvent Properties to Increase CO2 Mass Transfer

There has been significant effort toward enhancing the mass transfer of CO2 in the absorber by developing high efficiency packing, intensifying gas/liquid mixing and modifying solvent properties to improve the effectiveness of the gas-liquid contact surface. One key yet overlooked component of solvent development is how the physical properties of solvent and impact CO2 mass transfer and wettability of packing surfaces. Developing a better understanding of certain physical properties including viscosity, surface tensions and contact angle and how these can be manipulated to increase CO2 mass transfer will be important to further optimize the performance of aqueous amine solvents. Additionally, understanding the changes as a result of the additive can also be used to increase CO2 adsorption rate and mass transfer.

CO2 capture↗

DOE OSTI2021

Modeling Molten Salt Spreading and Heat Transfer using MELTSPREAD – An Uncertainty Analysis

This report summarizes spreading and heat transfer results for molten salt pouring onto a flat stainless steel substrate that were calculated using MELTSPREAD to gain insight into bulk salt behavior during a molten salt spill accident. MELTSPREAD was developed at Argonne to model the one-dimensional flow and freezing behavior of molten corium and is being applied to model molten salts for the first time as part of this work. An uncertainty analysis of thermophysical properties and spill conditions was performed using MELTSPREAD to determine which properties and conditions have the greatest impact on model outcome. The model was run with and without the inclusion of decay heat. Eutectic FLiNaK was used as the salt composition because it is well-characterized and appropriate for model development. Small salt volumes were used for the initial model runs described in this report so that the model results can be compared to the results from ongoing experiments on molten salt spreading and heat transfer currently being conducted at Argonne at a benchtop scale. The spreading of a small volume of FLiNaK (50 mL) was found to be limited by the balance between the molten salt surface tension and gravity and not by freezing for the pour conditions and assumed mechanisms of heat transfer in the model. Heat transfer from the salt was highly inefficient to due to its low thermal conductivity, high heat capacity, and high heat of fusion and varying these properties had no effect on the spreading behavior. Changing the viscosity and density of the salt slightly affected the spreading behavior. Setting the salt surface tension to approximately zero to simulate the salt wetting the substrate had the greatest effect on the spreading behavior and this increased both the spreading velocity and overall spreading area. Including decay heat in the model had a significant effect on the long-term cooling behavior of the salt but had no effect on the overall spreading behavior. Future effort should involve modeling a larger volume of molten salt to represent a reactor case spill scenario because the spreading behavior of large volumes of salt may differ from the small volumes that were the focus of this document.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

A Primer on Mean Opacities in the Radiative Transfer Equation

The radiative transfer equation is used in many applications, including the simulation of nuclear weapons. Opacity is a term that is often used in conjunction with the radiative transfer equation along with mean opacities. For someone new to the subject, there may be confusion over various parts of the radiative transfer equation or why opacities and mean opacities are so important to solving certain problems. This report aims to give a brief introduction to the radiative transfer equation as well as an explanation to why opacities and mean opacities are important. We also derive the Planck and Rosseland mean opacities, which are the most common mean opacities used in applications. At the end of the report are references that can be used to learn more about the subject.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Heat Transfer in Void Generating Foam Decomposition: Further Development

Continued development of the additive conductivity material model, used to simulate changes in heat transfer that occurs in void generating foam decomposition, has resulted in an improved model and new features. The previous version of the model was calibrated against the Aria Bulk Fluid Element (BFE) solution and proposed a third-order polynomial correction term best captured the increased heat transfer due to voids in the foam. An investigation of the Fuego Conjugate Heat Transfer (CHT) and Aria BFE solutions at several geometries revealed the CHT solution and BFE solution had differing behavior across length scales, especially at smaller scales. Five calibration studies, using the Fuego CHT as the calibration data, were carried out with polynomial functions of 4-th, 3-rd, 2-nd, 1-st and 0-th orders to determine the best correction function that generalized well across length scales. Each polynomial function was calibrated/trained on six different sized geometries and then tested on three uniquely sized geometries. This study revealed that the 1-st order additive conductivity model performed the best. A new feature of void formation scaling was implemented to more realistically capture the heat transfer as voids are created. A scaling term was added to the model to activate the conductivity correction as decomposition progresses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Spectral Transfer Learning Using Information Geometry for a User-Independent Brain-Computer Interface

Recent advances in signal processing and machine learning techniques have enabled the application of Brain-Computer Interface (BCI) technologies to fields such as medicine, industry, and recreation; however, BCIs still suffer from the requirement of frequent calibration sessions due to the intra- and inter-individual variability of brain-signals, which makes calibration suppression through transfer learning an area of increasing interest for the development of practical BCI systems. In this paper, we present an unsupervised transfer method (spectral transfer using information geometry,STIG),which ranks and combines unlabeled predictions from an ensemble of information geometry classifiers built on data from individual training subjects. The STIG method is validated in both off-line and real-time feedback analysis during a rapid serial visual presentation task (RSVP). For detection of single-trial, event-related potentials (ERPs), the proposed method can significantly outperform existing calibration-free techniques as well as out perform traditional within-subject calibration techniques when limited data is available. Here, this method demonstrates that unsupervised transfer learning for single-trial detection in ERP-based BCIs can be achieved without the requirement of costly training data, representing a step-forward in the overall goal of achieving a practical user-independent BCI system.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Designed Surface Residue Substitutions in [NiFe] Hydrogenase that Improve Electron Transfer Characteristics

Photobiological hydrogen production is an attractive, carbon-neutral means to convert solar energy to hydrogen. We build on previous research improving the Alteromonas macleodii “Deep Ecotype” [NiFe] hydrogenase, and report progress towards creating an artificial electron transfer pathway to supply the hydrogenase with electrons necessary for hydrogen production. Ferredoxin is the first soluble electron transfer mediator to receive high-energy electrons from photosystem I, and bears an electron with sufficient potential to efficiently reduce protons. Thus, we engineered a hydrogenase-ferredoxin fusion that also contained several other modifications. In addition to the C-terminal ferredoxin fusion, we truncated the C-terminus of the hydrogenase small subunit, identified as the available terminus closer to the electron transfer region. We also neutralized an anionic patch surrounding the interface Fe-S cluster to improve transfer kinetics with the negatively charged ferredoxin. Initial screening showed the enzyme tolerated both truncation and charge neutralization on the small subunit ferredoxin-binding face. While the enzyme activity was relatively unchanged using the substrate methyl viologen, we observed a marked improvement from both the ferredoxin fusion and surface modification using only dithionite as an electron donor. Combining ferredoxin fusion and surface charge modification showed progressively improved activity in an in vitro assay with purified enzyme

Biochemistry & Molecular Biology↗

DOE OSTI2022

Distribution and Transfer of Plasmid Replicon Families among Multidrug-Resistant Enterococcus faecalis and Enterococcus faecium from Poultry

The presence and transfer of plasmids from commensal bacteria to more pathogenic bacteria may contribute to the dissemination of antimicrobial resistance. However, the prevalence of plasmids from commensal bacteria, such as the enterococci, in food animals remains largely unknown. In this study, the diversity and prevalence of plasmid families from multidrug-resistant (MDR; resistance to three or more antimicrobials) enterococci from poultry carcasses were determined. Plasmid-positive MDR enterococci were also tested for the ability to transfer plasmids to other enterococci using conjugation. MDR Enterococcus faecalis (n = 98) and Enterococcus faecium (n = 696) that were isolated from poultry carcass rinsates between 2004 and 2011 were tested for the presence of 21 plasmid replicon (rep) families using multiplex PCR. Approximately 48% of E. faecalis (47/98) and 16% of E. faecium (110/696) were positive for at least one rep-family. Fourteen rep-families were detected overall, and ten rep-families were shared between E. faecalis and E. faecium. The rep7 and rep17 families were unique to E. faecalis, while the rep5 and rep8 families were unique to E. faecium. The rep9 family was predominant in both E. faecalis and E. faecium for all the years tested. The greatest number of rep-families detected was in 2005 (n = 10), and the least was in 2009 (n = 1). Eight rep-families were transferred from E. faecalis donors to the E. faecalis JH2-2 recipient using conjugation. Results from this study showed that E. faecalis and E. faecium from poultry carcasses contain numerous and diverse rep-families that are capable of conjugal transfer.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

The Impact of Neutron Transfer Reactions on the Heating and Cooling of Accreted Neutron Star Crusts

Abstract Nuclear reactions heat and cool the crust of accreting neutron stars and need to be understood to interpret observations of X-ray bursts and long-term cooling in transiently accreting systems. It was recently suggested that previously ignored neutron transfer reactions may play a significant role in the nuclear processes. We present results from full nuclear network calculations that now include these reactions and determine their impact on crust composition, crust impurity, heating, and cooling. We find that a large number of neutron transfer reactions indeed occur and impact crust models. In particular, we identify a new type of reaction cycle that brings a pair of nuclei across the nuclear chart into equilibrium via alternating neutron capture and neutron release, interspersed with a neutron transfer. While neutron transfer reactions lead to changes in crust model predictions and need to be considered in future studies, previous conclusions concerning heating, cooling, and compositional evolution are remarkably robust.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Anisotropic Energy Transfer and Conversion in Magnetized Compressible Turbulence

We present a spatial filtering (or coarse-graining) analysis on 3D magnetized magnetohydrodynamic (MHD) turbulence simulations. The filtered compressible MHD formulae show transfer of kinetic and magnetic energies from large to small scales, as well as energy conversion between kinetic, magnetic, and thermal energies. The anisotropic filtering enables separate analyses of the energy flows perpendicular and parallel to the global mean magnetic field. Anisotropy in energy cascade is demonstrated by the larger perpendicular energy cascade rate and also the larger perpendicular wavenumbers associated with the peak energy transfer rate. We also find that the “inertial range” along the parallel (perpendicular) direction in the anisotropic energy cascade formulation is no longer strictly dissipation-free, because it includes the dissipation in the perpendicular (parallel) direction. A change in the driving force (kinetic only versus kinetic and magnetic) affects the energy conversion between kinetic and magnetic energies. While the compressibility of the driving force changes the partition of different channels of energy transfer and conversion, and also increases the total energy transfer rate, the global energy flow remains unaffected by compressibility qualitatively. Our analysis can be applied to multispacecraft observations of turbulence in the solar wind or a planetary magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Improved Particle Heat Transfer by way of Bimodal Particle Distributions for High Temperature Solar Thermal Energy

High temperature solar thermal facilities are looking to increase operating temperatures through novel heat transfer media, one such being solid particles. These particles operating at high temperatures will require transferring their thermal energy into another working fluid like supercritical carbon dioxide which can be used in advanced power cycles. Achieving high heat transfer between the particles and supercritical carbon dioxide is essential to high efficiency and low-cost operation. Therefore, optimizing the thermal conductivity of these particles is one potential way to ensure high performance. Traditionally, unimodal particle distributions have been employed in high temperature particle solar power plants. However, ambient temperature testing of bimodal particle distributions has revealed a superior thermal conductivity when compared to its unimodal counterpart at the same temperature. This data was obtained by certified, off-the-shelf instruments that can effectively simulate the conditions a particle would be exposed to in a high temperature solar thermal system. Data obtained in this way suggests that the increased thermal conductively imputed by a bimodal particle distribution is significant at working temperatures in solar facilities. Furthermore, the thermal conductivity of these bimodal particle distributions peaks when the best combination of large and small particles is applied. At high temperatures, binary particle distributions are compared to monodispersed distributions of larger particles where heat transfer is more prolific due to the increased surface radiation. Various thermal conductivity, porosity and heat exchanger models are explored in conjunction with data acquired up to 700 C.

Stout, Dallin (ORCID:0009000294586091)↗

DOE OSTI2023

Heat Transfer of an Integrated Counterflow Ceramic Heat Exchanger

The ceramic-based heat exchanger is one of the leading contenders for high-efficiency concentrating solar power plants using a molten salt heat transfer fluid and a supercritical carbon dioxide Brayton power cycle operating at temperatures above 700 °C due to the excellent resistance of ceramics to corrosion, oxidation, erosion, creep, and fouling. In the present study, the thermal performance of a ceramic silicon carbide prototype heat exchanger, with semi-elliptical heat transfer channels, integrated header channels, and a counterflow configuration fabricated by using binder jetting additive manufacturing, was experimentally investigated. Experimental heat transfer tests of the prototype were conducted at high temperatures and under various test fluid flow rates and inlet temperatures. The experimental heat transfer rates compared favorably with simulation predictions.

Yu, Wenhua (ORCID:0000000219457014)↗

NASA NTRS1962

Measurement of Local Heat Transfer Coefficients for Flow of Hydrogen and Helium in a Smooth Tube at High Surface to Fluid Bulk Temperature Ratios

Local values of heat transfer coefficients have been measured experimentally for helium and hydrogen gas flowing through an electrically heated inconel tube. The experiment was conducted primarily to determine the effect on the heat transfer coefficient of a large density change, radially, in the heat transfer fluid. This large density change was accomplished with relatively high surface temperatures as compared to fluid bulk temperatures or more commonly referred to as high surface to fluid bulk temperature ratio. The large temperature ratio was achieved by precooling the gas with liquid nitrogen. Data were measured for local values of surface to fluid bulk temperature ratios up to 4.5, Reynolds numbers in the turbulent flow region, surface temperatures up to 2300° R, heat flux up to 1,600,000 Btu/(hr)(sq ft) and length to diameter ratio of 250. A comparison of this data with the conventional heat transfer· correlation equation (Dittus-Boelter eq.) is shown on a curve of Nusselt number divided by Prandtl number versus the Reynolds number. The gas properties were evaluated at the film temperature and the Reynolds number was modified by evaluating the velocity term at the fluid bulk temperature and the density at the film temperature.

Weiland, Walter F.↗