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At least 595 records · Page 33

Performance of a Kilowatt-Class Stirling Power Conversion System in a Thermodynamically Coupled Configuration

A pair of 1-kWe free-piston Stirling power convertors has been modified into a thermodynamically coupled configuration, and performance map testing has been completed. This is the same configuration planned for the full-scale 12-kWe power conversion unit (PCU) that will be used in the Fission Power System Technology Demonstration Unit (TDU). The 1-kWe convertors were operated over a range of conditions to evaluate the effects of thermodynamic coupling on convertor performance and to identify any possible control challenges. The thermodynamically coupled convertor showed no measureable difference in performance from the baseline data collected when the engines were separate, and no major control issues were encountered during operation. The results of this test are guiding controller development and instrumentation selection for the TDU.

Geng, Steven M.↗

Remote Sensing the Vertical Profile of Cloud Droplet Effective Radius, Thermodynamic Phase, and Temperature

Cloud-aerosol interaction is a key issue in the climate system, affecting the water cycle, the weather, and the total energy balance including the spatial and temporal distribution of latent heat release. Information on the vertical distribution of cloud droplet microphysics and thermodynamic phase as a function of temperature or height, can be correlated with details of the aerosol field to provide insight on how these particles are affecting cloud properties and their consequences to cloud lifetime, precipitation, water cycle, and general energy balance. Unfortunately, today's experimental methods still lack the observational tools that can characterize the true evolution of the cloud microphysical, spatial and temporal structure in the cloud droplet scale, and then link these characteristics to environmental factors and properties of the cloud condensation nuclei. Here we propose and demonstrate a new experimental approach (the cloud scanner instrument) that provides the microphysical information missed in current experiments and remote sensing options. Cloud scanner measurements can be performed from aircraft, ground, or satellite by scanning the side of the clouds from the base to the top, providing us with the unique opportunity of obtaining snapshots of the cloud droplet microphysical and thermodynamic states as a function of height and brightness temperature in clouds at several development stages. The brightness temperature profile of the cloud side can be directly associated with the thermodynamic phase of the droplets to provide information on the glaciation temperature as a function of different ambient conditions, aerosol concentration, and type. An aircraft prototype of the cloud scanner was built and flew in a field campaign in Brazil.

Martins, J. V.↗

The Thermodynamic Properties of Cubanite

CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

Berger, E. L.↗

Thermodynamics in the Suppressed Phase of the Madden-Julian Oscillation Using a Multiplatform Strategy

The Madden-Julian Oscillation (MJO) represents a prominent mode of intraseasonal tropical variability. It is manifest by coherent large-scale changes in atmospheric circulation, convection, and thermodynamic processes. Preconditioning of the environment prior to the active phase of the MJO has been noted, but the balance of theorized mechanisms to accomplish this process remains unresolved. Further, there is a lack of consensus on the means by which primary initiation of an MJO event occurs. Observational and modeling efforts have recently been undertaken to advance our understanding of the physical underpinnings governing MJO development. However these intensive studies are often limited in space and/or time and are potentially subject to model deficiencies. Satellite observations, especially those providing vertical resolution of temperature and moisture, provide an opportunity to expand our knowledge of processes critical to MJO initiation and preconditioning. This work will provide an analysis of suppressed phase thermodynamics with an emphasis on the use of a complementary suite of satellite observations including AIRS/AMSU-A profiles, CERES radiative fluxes, and cloud properties observed by MODIS. Emphasis of this work will regard the distribution of cloud regimes, their radiative-convective effects, and their relationship to moist static energy during the recharge and suppressed stages of MJO initiation and eastward propagation. The analyses will make use of cloud regimes from MODIS observations to provide a compositing technique that enables the identification of systematic connections between different cloud regimes and the larger scale environment. Within these cloud regimes, the relationship between the associated cloud-radiative effects observed by CERES, vertically-resolved and vertically-integrated thermodynamics using AIRS/AMSU-A observations, and atmospheric boundary layer fluxes will be demonstrated.

Roberts, J. Brent↗

Chemical and Thermodynamic Properties at High Temperatures: A Symposium

This book contains the program and all available abstracts of the 90' invited and contributed papers to be presented at the TUPAC Symposium on Chemical and Thermodynamic Properties at High Temperatures. The Symposium will be held in conjunction with the XVIIIth IUPAC Congress, Montreal, August 6 - 12, 1961. It has been organized, by the Subcommissions on Condensed States and on Gaseous States of the Commission on High Temperatures and Refractories and by the Subcommission on Experimental Thermodynamics of the Commission on Chemical Thermodynamics, acting in conjunction with the Organizing Committee of the IUPAC Congress. All inquiries concerning participation In the Symposium should be directed to: Secretary, XVIIIth International Congress of Pure and Applied Chemistry, National Research Council, Ottawa, 'Canada. Owing to the limited time and facilities available for the preparation and printing of the book, it has not been possible to refer the proofs of the abstracts to the authors for checking. Furthermore, it has not been possible to subject the manuscripts to a very thorough editorial examination. Some obvious errors in the manuscripts have been corrected; other errors undoubtedly have been introduced. Figures have been redrawn only when such a step was essential for reproduction purposes. Sincere apologies are offered to authors and readers for any errors which remain; however, in the circumstances neither the IUPAC Commissions who organized the Symposium, nor the U. S. Government Agencies who assisted in the preparation of this book can accept responsibility for the errors.

Walker, Raymond F.↗

Determining Cloud Thermodynamic Phase from Micropulse Lidar Network Data

Determining cloud thermodynamic phase is a critical factor in studies of Earth's radiation budget. Here we use observations from the NASA Micro Pulse Lidar Network (MPLNET) and thermodynamic profiles from the Goddard Earth Observing System, version 5 (GEOS-5) to distinguish liquid water, mixed-phase, and ice water clouds. The MPLNET provides sparse global, autonomous, and continuous measurements of clouds and aerosols which have been used in a number of scientific investigations to date. The use of a standardized instrument and a common suite of data processing algorithms with thorough uncertainty characterization allows for straightforward comparisons between sites. Lidars with polarization capabilities have recently been incorporated into the MPLNET project which allows, for the first time, the ability to infer a cloud thermodynamic phase. This presentation will look specifically at the occurrence of ice and mixed phase clouds in the temperature region of -10 C to -40 C for different climatological regions and seasons. We compare MPLNET occurrences of mixed-phase clouds to an historical climatology based on observations from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) instrument aboard the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) spacecraft.

mixing layer height↗

Cloud Thermodynamic Phase Detection with Polarimetrically Sensitive Passive Sky Radiometers

The primary goal of this project has been to investigate if ground-based visible and near-infrared passive radiometers that have polarization sensitivity can determine the thermodynamic phase of overlying clouds, i.e. if they are comprised of liquid droplets or ice particles. While this knowledge is important by itself for our understanding of the global climate, it can also help improve cloud property retrieval algorithms that use total (unpolarized) radiance to determine Cloud Optical Depth (COD). This is a potentially unexploited capability of some instruments in the NASA Aerosol Robotic Network (AERONET), which, if practical, could expand the products of that global instrument network at minimal additional cost. We performed simulations that found, for zenith observations, cloud thermodynamic phase is often expressed in the sign of the Q component of the Stokes polarization vector. We chose our reference frame as the plane containing solar and observation vectors, so the sign of Q indicates the polarization direction, parallel (negative) or perpendicular (positive) to that plane. Since the quantity of polarization is inversely proportional to COD, optically thin clouds are most likely to create a signal greater than instrument noise. Besides COD and instrument accuracy, other important factors for the determination of cloud thermodynamic phase are the solar and observation geometry (scattering angles between 40 and 60 degrees are best), and the properties of ice particles (pristine particles may have halos or other features that make them difficult to distinguish from water droplets at specific scattering angles, while extreme ice crystal aspect ratios polarize more than compact particles). We tested the conclusions of our simulations using data from polarimetrically sensitive versions of the Cimel 318 sun photometerradiometer that comprise AERONET. Most algorithms that exploit Cimel polarized observations use the Degree of Linear Polarization (DoLP), not the individual Stokes vector elements (such as Q). For this reason, we had no information about the accuracy of Cimel observed Q and the potential for cloud phase determination. Indeed, comparisons to ceilometer observations with a single polarized spectral channel version of the Cimel at a site in the Netherlands showed little correlation. Comparisons to Lidar observations with a more recently developed, multi-wavelength polarized Cimel in Maryland, USA, show more promise. This divergence between simulations and observations has prompted us to begin the development of a small test instrument called the Sky Polarization Radiometric Instrument for Test and Evaluation (SPRITE). This instrument is specifically devoted to the accurate observation of Q, and the testing of calibration and uncertainty assessment techniques, with the ultimate goal of understanding the practical feasibility of these measurements.

Knobelspiesse, Kirk D.↗

Thermodynamic, Cloud, and Radiative Heating Profiles over Ascension Island During the 2016 and 2017 Biomass Burning Seasons

Marine boundary layer clouds, including the transition from stratocumulus to cumulus, are poorly represented in numerical weather prediction and general circulation models. In many cases, the complex physical relationships between marine boundary cloud morphology and the environmental conditions in which the clouds exist are not well understood. Such uncertainties arise in the presence of biomass burning carbonaceous aerosol, as is the case over the southeast Atlantic Ocean. It is likely that the absorbing and heating properties of these aerosols influence the microphysical composition and macrophysical arrangement of marine stratocumulus and trade cumulus in this region; however, this has yet to be quantified. The deployment of the Atmospheric Radiation Measurement Mobile Facility #1 (AMF1) in support of LASIC (Layered Atlantic Smoke Interactions with Clouds) provided a unique opportunity to collect observations of cloud and aerosol properties during two consecutive biomass burning seasons during July through October of 2016 and 2017 over Ascension Island (7.96 S, 14.35 W). Thermodynamic profiles will be analyzed through the unique combination of sounding data from radiosonde launches and microwave profiling radiometers, giving observations of additional quantities important for cloud development such as CAPE and CIN at a fine temporal resolution. The thermodynamic profiles will be presented in conjunction with detailed observations of the cloud structure over the site from a K-band cloud radar, micropulse lidar, and laser ceilometer. Finally, the observed thermodynamic and cloud profiles will be used as input forcing, alongside aerosols from the Modern Era Retrospective analysis for Research and Applications, version 2 (MERRA-2), for the Rapid Radiative Transfer Model (RRTM) to gain information regarding the radiative heating profiles. Idealized experiments using RRTM with and without aerosols will be used to quantify the impact of biomass burning carbonaceous aerosol plumes as they pass over the site.

Collow, Allison B.↗

Scale Analysis of Moist Thermodynamics in a Simple Model and the Relationship Between Moisture Modes and Gravity Waves

Observations and theory of convectively-coupled equatorial waves suggest that they can be categorized into two distinct groups. Moisture modes are waves whose thermodynamics are governed by moisture fluctuations. The thermodynamics of the gravity wave group, on the other hand, are rooted in buoyancy (temperature) fluctuations. On the basis of scale analysis it is found that a simple nondimensional parameter –akin to the Rossby number– can explain the processes that lead to the existence of these two groups. This parameter, defined as Nmode, indicates that moisture modes arise when anomalous convection lasts sufficiently long so that dry gravity waves eliminate the temperature anomalies in the convective region, satisfying weak temperature gradient (WTG) balance. This process causes moisture anomalies to dominate the distribution of moist enthalpy (or moist static energy), and hence the evolution of the wave. Conversely, convectively-coupled gravity waves arise when anomalous convection eliminates the moisture anomalies more rapidly than dry gravity waves can adjust the troposphere towards WTG balance, causing temperature to govern the moist enthalpy distribution and evolution. Spectral analysis of reanalysis data indicates that slowly-propagating waves (cp ~ 3 m s-1) are likely to be moisture modes while fast waves (cp ~ 30 m s-1) exhibit gravity wave behavior, with "mixed moisture-gravity" waves existing in between. While these findings are obtained from a highly idealized framework, it is hypothesized that they can be extended to understand simulations of convectively-coupled waves in GCMs and the thermodynamics of more complex phenomena.

Angel F Adames↗

Computational Design of Eutectic Molten Salt Mixtures: What Can Thermodynamic Models Do?

In the search for efficient energy storage battery technologies, designing stable electrolytes has been a long-standing challenge. Electrolytes based on molten salt eutectics are known for their stability with minimum parasitic reactions when compared to their widely used organic counterparts. However, the operating temperatures of these molten salt electrolyte-based batteries are dictated by the melting point of the eutectic mixtures. Design and high throughput screening of low melting temperature eutectic molten salt mixtures have been hindered by the lack of computational models. In this work, we develop thermodynamic models to predict the eutectic points of several molten salt mixtures. The framework of the COSMO-SAC model is used for the predictions and is compared with experimental data and other thermodynamic approaches. Rapid thermodynamics-based approaches, as shown in this study, can accelerate the discovery of new materials, complementing experimental techniques.

Ashwin Ravichandran↗

Methods for thermodynamic evaluation of battery state of health

Described are systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and battery systems and for characterizing the state of health of electrodes and battery systems. Measurement of physical attributes of electrodes and batteries corresponding to thermodynamically stabilized electrode conditions permit determination of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and battery systems, such as energy, power density, current rate, cycle life and state of health. Also provided are systems and methods for charging a battery according to its state of health.

36 MATERIALS SCIENCE↗

Methods and systems for thermodynamic evaluation of battery state of health

Described are systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and battery systems and for characterizing the state of health of electrodes and battery systems. Measurement of physical attributes of electrodes and batteries corresponding to thermodynamically stabilized electrode conditions permit determination of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and battery systems, such as energy, power density, current rate, cycle life and state of health. Also provided are systems and methods for charging a battery according to its state of health.

25 ENERGY STORAGE↗

Thermodynamics of Highly Concentrated Aqueous Electrolytes: Based on Boltzmann's eponymous equation

This sharply focused book invites the reader to explore the chemical thermodynamics of highly concentrated aqueous electrolytes from a different vantage point than traditional methods. The book's foundation is deeply rooted in Ludwig Boltzmann's eponymous equation. The pathway from micro to macro thermodynamics is explained heuristically, in a step-by-step approach. Concepts and mathematical formalism are explained in detail to captivate and maintain interest as the algebra twists and turns. Every significant result is derived in a lucid and piecemeal fashion. Application of the theory is exemplified with examples. It is amazing to realize that Boltamann's simple equation contains sufficient information from which such an elaborate theory can emerge. This book is suitable for undergraduate and graduate level classes in chemical engineering, chemistry, geochemistry, environmental sciences, and those studying aerosol particles in the troposphere. Students interested in understanding how thermodynamic theories may be developed would be inspired by the methodology. The author wishes that readers get as much excitement reading this book as he did writing it.

Ally, Moonis↗

Chapter 4 - Research Tools: Microstructure, Mechanical Properties, and Computational Thermodynamics

The purpose of this Chapter is to provide an overview of the research tools that are available to evaluate the response of materials that are subject to atomic displacements caused by fast particle irradiation. The major focus is on metals employed in structural components in operating or planned nuclear fission and fusion reactors. Understanding, predicting and characterising the changes in material properties under irradiation requires the ability to characterise the irradiation-induced microstructure at and above the atomic scale, and the ability to relate such changes to the observed degradation in performance sustaining properties. Thus, any discussion of research tools necessarily involves microstructural characterization techniques and mechanical property characterization techniques. In addition, computational thermodynamics (and related multiscale, multiphysics modeling) can also be considered characterization tools since they enable the study of the thermodynamically and kinetically mediated mechanisms (influenced by the irradiation environment) that affect microstructural evolution. Hence, this chapter also contains a brief review of computational thermodynamics.

English, Colin A.↗

Optimizing thermodynamic trajectories using evolutionary reinforcement learning

Using a model heat engine we show that neural network-based reinforcement learning can identify thermodynamic trajectories of maximal efficiency. We use an evolutionary learning algorithm to evolve a population of neural networks, subject to a directive to maximize the efficiency of a trajectory composed of a set of elementary thermodynamic processes; the resulting networks learn to carry out the maximally-efficient Carnot, Stirling, or Otto cycles. Given additional irreversible processes this evolutionary scheme learns a hitherto unknown thermodynamic cycle. Our results show how the reinforcement learning strategies developed for game playing can be applied to solve physical problems conditioned upon path-extensive order parameters.

97 MATHEMATICS AND COMPUTING↗

Development Of Thermodynamic and Kinetic Simulation Tools and Testing Procedures for Enhanced Durability of Concrete Containing Industrial By-Products

This project developed screening tools that enable evaluation of alternative cementitious binders that create concretes to significantly reduce energy and emissions while remaining cost competitive on both initial and long-term costs. The team began with the viewpoint that acceptance of new cementitious binder products has a substantially greater chance of successful implementation when capital investment is not excessive and the end product has customers that have experience and resources to use this. As such, a binder system that is based on portland cement with blended using industrial by-products (alternative cementitious materials) has the potential for dramatic and meaningful impact. The team has focused on developing implementable solutions in specifications and current practice. This however requires three main factors: 1) ability to screen byproducts and alternative materials for success, 2) ability to ‘treat’ materials chemically to enhance kinetics, and 3) ability to provide predictions of performance of both binders and concrete from first principles. The project developed/refined a state of the art and scientifically based screening test for SCM called the pozzolanic reactivity test. The team developed kinetic models to simulate these materials as well as experimental approaches to alter selected reactions. Simulation tools were developed that enable the performance of concrete to be predicted based on the chemistry and reactivity of the cement and alternative SCM. Specifically, this project: • enhanced the kinetic reactivity models for use in multi-scale computational programs that use thermodynamics to predict reaction products. 2 • developed scaling models to extend thermodynamic modeling to link these models with pore structure. This enables strength, transport property, and coupled transport prediction. • developed tools to predict performance of cementitious materials using the pozzolanic reactivity test and chemical composition. The predicted properties are consistent with AASHTO R101 and the CEB-FIP model code and can be measured using associated test procedures. • demonstrated mechanical and fracture based modeling tools that thermodynamic predictions and inputs to predict concrete service life. These results have been used to demonstrate the value of enabling specifications to include ASTM C 595 cement as well ASTM C150 cement. In addition, these products are being used to expedite the evaluation of alternative SCM to aide in determining which materials have potential value and what ‘compositions’ of blended cements merit further investment.

42 ENGINEERING↗

Development of a Thermodynamic Database for Corrosion in Chloride MSRs

Control of the salt redox condition is the salient method for corrosion inhibition in molten salts. For chloride salt-fueled molten salt reactors of primary concern is the U(IV)/U(III) ratio, influenced directly by the Cl2 activity in the salt. Although thermodynamic assessments of MSR-relevant salts abound, none have included consideration of UCl4 which is essential to correctly describe the salt redox condition. This work reports the assessment of the NaCl-KCl-MgCl2 base salt with UCl3-UCl4 and corrosion chlorides involving Cr, Fe, and Ni as minor components and the resultant thermodynamic models. The effort utilized available thermodynamic measurements and phase equilibria complemented by differential scanning calorimetry determinations of phase equilibria. Example calculations explore the temperature and composition space to understand its influence on corrosion. The foregoing models are incorporated into an update of the Molten Salt Thermal Properties Database – Thermochemical which is publicly available.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Defect Thermodynamics and Transport Properties of Perovskite and Fluorite Materials for Solid-Oxide and Proton Conducting Oxide Cells Evaluated Based on Density Functional Theory Modeling

Density functional theory based defect thermodynamic modeling was performed to determine the effect of humidity and H2/O2 gas pressure on various defect chemistry and transport properties of perovskite and fluorite oxides for solid-oxide and proton-conducting-oxide cell applications, with inclusion of the electronic-conducting oxides (as electrodes) and insulating oxides (as electrolytes). Automatic defect generation workflow and first-principles charged defect analysis were implemented on NETL Joule supercomputer for modeling defect equilibria and transport properties of insulating oxides as electrolytes in SOCs and proton-conducting ceramic cells. A GNU Octave defect model subroutines were developed to facilitate defect modeling of electronic conducting oxides in a wide range of operating conditions guided by modeling and experiments. The model includes the hydride defect formation reaction under reducing conditions and allows to incorporate nonstoichiometry effects on the defect thermodynamic parameters. The developed model serves as a platform to facilitate fundamental understanding of the defect thermodynamics in SOC oxide materials and can be used as a novel tool in computational materials screening for SOC and other energy applications.

Lee, Yueh-Lin↗