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DOE OSTI2011

STEAM-SIDE OXIDE SCALE EXFOLIATION BEHAVIOR IN SUPERHEATERS AND REHEATERS

Advances in materials for power plants include not only new materials with higher-temperature capabilities, but also the use of current materials at increasingly higher temperatures. This latter activity builds on extensive experience of the performance of the various alloys, and provides a basis for identifying changes in alloy behavior with increasing temperature as well as understanding the factors that ultimately determine the maximum use temperatures of the different alloy classes. This paper presents results from an effort to model the exfoliation processes of steam-side oxide scales in a manner that describes as accurately as possible the evolution of strains in oxides growing inside small-diameter tubes subjected to large thermal gradients and to thermal transients typical of normal steam boiler operation. One way of portraying the results of such calculations is by plotting the evolving strains in a given oxide scale on an Exfoliation Diagram (of the type pioneered by Manning et al. of the British Central Electricity Research Laboratory) to determine the earliest time at which the trajectory of these strains intersects a criterion for scale failure. Understanding of how such strain trajectories differ among different alloys and are affected by the major variables associated with boiler operation has the potential to suggest boiler operating strategies to manage scale exfoliation, as well as to highlight the mode of scale failure and the limitations of each alloy. Preliminary results are presented of the strain trajectories calculated for alloys T22, T91, and TP347 subjected to the conditions experienced by superheaters under assumed boiler operating scenarios. For all three alloys the earliest predicted scale failures were associated with the increased strains developed during a boiler shut-down event; indeed, in the cases considered it appeared unlikely that scale failure would occur in any practically meaningful time due to strains accumulated during operation in a load-following mode in the absence of a shut down. The accuracy of the algorithms used for the kinetics of oxide growth appeared to be a very important consideration, especially for alloy TP347 for which large effects on oxide growth rate are known to occur with changes in alloy grain size and surface cold work.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Report of the Topical Group on Particle Dark Matter for Snowmass 2021

This report summarizes the findings of the CF1 Topical Subgroup to Snowmass 2021, which was focused on particle dark matter. One of the most important scientific goals of the next decade is to reveal the nature of dark matter (DM). To accomplish this goal, we must delve deep, to cover high priority targets including weakly-interacting massive particles (WIMPs), and search wide, to explore as much motivated DM parameter space as possible. A diverse, continuous portfolio of experiments at large, medium, and small scales that includes both direct and indirect detection techniques maximizes the probability of discovering particle DM. Detailed calibrations and modeling of signal and background processes are required to make a convincing discovery. In the event that a candidate particle is found through different means, for example at a particle collider, the program described in this report is also essential to show that it is consistent with the actual cosmological DM. The US has a leading role in both direct and indirect detection dark matter experiments -- to maintain this leading role, it is imperative to continue funding major experiments and support a robust R&D program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Scale sensitivity of ethanol production via consolidated bioprocessing with consideration of feedstock cost

We examine feedstock cost and minimum selling price for ethanol production from corn stover as a function of scale, stover yield, participation rate, and price incentives for two conversion technologies: a conventional base case featuring thermochemical pretreatment with added cellulase, and an advanced case featuring consolidated bioprocessing with cotreatment (C-CBP). Delivered feedstock cost ranged from $\$85$ Mg −1 at small (10 million gallons year −1 or ~38 million L year −1 ) scale with high yield and participation rates to $\$124$ Mg −1 at large scale (60 million gallons year −1 or 227 million L year −1 ) and low yield and participation rates. The minimum ethanol selling price (MESP) was approximately twofold lower for the advanced case compared with the base case. The payback period was several times lower for the advanced case compared with the base case, with increasing disparity at smaller scales, and was highly sensitive to ethanol price supports. For both C-CBP and the conventional processing paradigm, MESP decreased with increasing scale, indicating that the cost penalty due to higher feedstock transport distances was more than outweighed by lower capital costs. However, the cost penalty for operation at small scale, expressed in $ gallon −1 ethanol, is lower for C-CBP than for the conventional paradigm by roughly twofold. Particularly for initial applications of C-CBP, we speculate that this cost penalty will likely be modest compared with the anticipated benefits of small-scale operation such as increased opportunity to use existing infrastructure, easier plant siting and supply chain establishment, and lower total investment required.

biorefinery scale↗

NASA NTRS2017

The Mechanism for the Energy Buildup Driving Solar Eruptive Events

The underlying origin of solar eruptive events (SEEs), ranging from giant coronal mass ejections to small coronalhole jets, is that the lowest-lying magnetic flux in the Sun's corona undergoes continual buildup of stress and free energy. This magnetic stress has long been observed as the phenomenon of "filament channels:" strongly sheared magnetic field localized around photospheric polarity inversion lines. However, the mechanism for the stress buildup-formation of filament channels-is still debated. We present magnetohydrodynamic simulations of a coronal volume that is driven by transient, cellular boundary flows designed to model the processes by which the photosphere drives the corona. The key feature of our simulations is that they accurately preserve magnetic helicity, the topological quantity that is conserved even in the presence of ubiquitous magnetic reconnection. Although small-scale random stress is injected everywhere at the photosphere, driving stochastic reconnection throughout the corona, the net result of the magnetic evolution is a coherent shearing of the lowest-lying field lines. This highly counterintuitive result-magnetic stress builds up locally rather than spreading out to attain a minimum energy state-explains the formation of filament channels and is the fundamental mechanism underlying SEEs. Furthermore, this process is likely to be relevant to other astrophysical and laboratory plasmas.

Knizhnik, K. J.↗

NASA NTRS1992

Nonlinear restrictions on dynamo action

Astrophysical dynamos operate in the limit of small magnetic diffusivity. In order for magnetic reconnection to occur, very small magnetic structures must form so that diffusion becomes effective. The formation of small-scale fields is accompanied by the stretching of the field lines and therefore by an amplification of the magnetic field strength. The back reaction of the magnetic field on the motions leads to the eventual saturation of the dynamo process, thus posing a constraint on the amount of magnetic flux that can be generated by dynamo action, It is argued that in the limit of small diffusivity only a small amount of flux, many orders of magnitude less than the observed fluxes, can be created by dynamo processes.

Vainshtein, Samuel I.↗

DOE OSTI2015

The Role of Small RNA in Biomass Deposition (Final Report for ER65039)

Our objective in this project was to discover the role of sRNA in regulating both biomass biosynthesis and perenniality in the Andropogoneae feedstock grasses. Our central hypothesis was that there is a time-and space specific sRNA network playing a crucial role in regulating processes associated with cell wall biosynthesis, flowering time control, overwintering/juvenility, and nutrient sequestration in the feedstock grasses. To address this, we performed a large scale biological project consisting of the growth of material, generation of Illumina libraries, sequencing and analysis for small RNA, mRNA and Degradome / cmRNA. Our subsidiary objectives included analysis of the biology of small RNAs and the cell wall composition of Miscanthus. These objectives have all been completed, one publication is in print, one is submitted and several more are in progress.

09 BIOMASS FUELS↗

DOE OSTI2023

Temporal Subsampling Diminishes Small Spatial Scales in Recurrent Neural Network Emulators of Geophysical Turbulence

The immense computational cost of traditional numerical weather and climate models has sparked the development of machine learning (ML) based emulators. Because ML methods benefit from long records of training data, it is common to use data sets that are temporally subsampled relative to the time steps required for the numerical integration of differential equations. Here, we investigate how this often overlooked processing step affects the quality of an emulator's predictions. We implement two ML architectures from a class of methods called reservoir computing: (a) a form of Nonlinear Vector Autoregression (NVAR), and (b) an Echo State Network (ESN). Despite their simplicity, it is well documented that these architectures excel at predicting low dimensional chaotic dynamics. We are therefore motivated to test these architectures in an idealized setting of predicting high dimensional geophysical turbulence as represented by Surface Quasi-Geostrophic dynamics. In all cases, subsampling the training data consistently leads to an increased bias at small spatial scales that resembles numerical diffusion. Interestingly, the NVAR architecture becomes unstable when the temporal resolution is increased, indicating that the polynomial based interactions are insufficient at capturing the detailed nonlinearities of the turbulent flow. The ESN architecture is found to be more robust, suggesting a benefit to the more expensive but more general structure. Spectral errors are reduced by including a penalty on the kinetic energy density spectrum during training, although the subsampling related errors persist. Future work is warranted to understand how the temporal resolution of training data affects other ML architectures.

58 GEOSCIENCES↗

NASA NTRS1993

Particle-Gas Dynamics in the Midplane of a Protoplanetary Nebula

In this paper, we study the stage of planetary formation during which the particulate material is still dispersed as centimeter-to-meter sized primordial aggregates. During this stage, particles are able to settle toward the midplane into a layer of mass density comparable to or much greater than that of the gas. Nonlinear, coupled interactions between the particles and the nebula gas become significant and ultimately determine the vertical profiles of the particle density and the mean velocities of the particles and the nearby gas. This is the environment in which the earliest planetesimals probably form. Our numerical models rely on the Reynolds averaged Navier-Stokes equations for the gas and particles and are fully viscous and turbulent (and, for the particles. compressible). Our turbulence modeling uses a Prandtl local shear parametrization, validated by laboratory experiments. We have developed a new model for particle diffusion involving the profile of the nebula gas turbulence and the particle Schmidt number, which is a function of particle size and density. We model a cool, quiescent nebula at 1 AU (280 K) and 10 AU (90 K) and a higher temperature stage (1000 K) at 1 AU. Our main results include: (a) rapid accretion of planetesimals by gravitationally unstable fragmentation on an orbital time scale (the 'Goldreich-Ward instability') is unlikely to occur until objects have already accreted by some other process to the mass of the largest known meteorite samples, if at all; (b) from 'seeds' as small as 10 m, growth of 10- to 100-km planetesimals can proceed rapidly by drift-augmented accretion in the particle-rich midplane with orbital decay of about 1% for the growing planetesimals; (c) outward transport of vapor and small entrained chips can account for significant radial compositional and mineralogical mixing in primitive meteorite parent bodies. Other implications may be drawn concerning particle random collisional velocities and the time scales of midplane turbulence.

Cuzzi, Jeffrey N.↗

NASA NTRS1986

Thermal-capillary analysis of Czochralski and liquid encapsulated Czochralski crystal growth

Results are presented from finite element analysis of the Czochralski (CZ) and Liquid Encapsulated Czochralski (LEC) crystal growth processes based on a thermal-capillary model which governs the heat transfer in the system simultaneously with setting the shapes of the melt/solid interface, the melt and encapsulant menisci, and the radius of a steadily growing crystal. Calculations are performed for the small-scale growth of silicon (CZ) and gallium arsenide (LEC). The effects of melt volume and crucible position relative to the heater on the radius of the crystal and the shape of the melt/solid interface are predicted for the CZ system, and the importance of including an accurate representation of the melt meniscus for modeling the process is demonstrated. The additional effect of an encapsulant layer on heat transfer is treated for the LEC method for the cases of totally transparent and opaque encapsulant. The responses of these LEC prototype systems are examined for changes in pull rate and encapsulant volume.

Derby, J. J.↗

DOE OSTI2013

Runtime System for I/O Staging in Support of In-Situ Processing of Extreme Scale Data

Our research in this project focused on creating and evaluating an I/O infrastructure and tools for extreme-scale applications and machines so that scientists can reduce their time to discovery at small cost in machine resources and consequent power consumption. We wanted to provide tools that are highly scalable, portable, and easy-to-use, so that scientists can gain control of their science, and concentrate on producing important scientific discovery in their own domain. Accelerating the rate of insight and scientific productivity, therefore, demands new solutions to managing the avalanche of data expected at extreme scale.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2020

The Prevalence of Precipitation from Polar Supercooled Clouds

Supercooled clouds substantially impact polar surface energy budgets but large-scale models often underestimate their occurrence, which motivates accurately establishing metrics of basic processes. An analysis of long-term measurements at Utqiaġvik, Alaska, and McMurdo Station, Antarctica, combines lidar-validated use of soundings to identify supercooled cloud layers and colocated ground-based profiling radar measurements to quantify cloud base precipitation. We find that more than 85 % (75 %) of sampled supercooled layers are precipitating over the Arctic (Antarctic) site, with more than 75 % (50 %) precipitating continuously to the surface. Such high frequencies can be reconciled with substantially lesser spaceborne estimates by considering differences in radar hydrometeor detection sensitivity. While ice precipitation into supercooled clouds from aloft is common, we also find that the great majority of supercooled cloud layers without ice falling into them are themselves continuously generating precipitation. Such sustained primary ice formation is consistent with continuous activation of immersion-mode ice nucleating particles (INPs), suggesting that supercooled cloud formation is a principal gateway to ice formation at temperatures greater than ~ −38 °C over polar regions. The prevalence of weak precipitation fluxes is also consistent with supercooled cloud longevity, and with well-observed and widely simulated case studies. An analysis of colocated microwave radiometer retrievals suggests that weak precipitation fluxes can be nonetheless consequential to moisture budgets for supercooled clouds owing to small liquid water paths. Finally, we suggest that these ground-based precipitation rate statistics offer valuable guidance for improving the representation of polar cloud processes in large-scale models.

Polar clouds↗

NASA NTRS1990

Advanced embedded processing: Present and future

Integrated airframe/propulsion control system architecture is discussed. The main objectives of the program are: design and validation methodology for system architecture; system design; system specification; and small-scale system testing.

Cohen, Gerald C.↗

DOE OSTI2023

Coal-based Bricks & Blocks (CBBs): Process Development to Prototype Fabrication Coupled with Techno-Economic Analysis and Market Survey

Coal-based bricks and blocks (CBBs) were formulated using anthracite and thermoplastic binder. Lab scale test composites were formed by hot-press molding and commercial extrusion for test articles and for a full-scale prototype. Formulations and test matrices followed a systematic experimental design to examine the effects of and interactions among three primary independent variables: a) thermoplastic type, b) weight fractions of binder relative to the total anthracite weight, and c) relative proportions of large versus small (milled) anthracite size fractions. Technical performance metrics include compressive strength, modulus, porosity/permeability and density. These DoE studies establish composition-property relations and identify the best combination for any desired property of interest – in particular, strength. Based on CBB composition and fabrication process, validated against technical performance metrics, a techno-economic analysis was constructed which incorporated a process flow model, engineering design (with scaling), and calculated capital plus operating costs. Based on measured property metrics and estimated process economics and a projected price by TEA (techno-economic analysis), building and construction target markets were identified by a market survey assessment. With known cost, price, performance metrics and competitive advantages for CBBs matched with commercial applications/uses, a technical gap analysis was performed to identify further development required for scale-up and commercialization.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2019

A scalable Euler–Lagrange approach for multiphase flow simulation on spectral elements

Multiphase flow can be difficult to simulate with high accuracy due to the wide range of scales associated with various multiphase phenomena. These scales may range from the size of individual particles to the entire domain of interest. Traditionally, large scale systems can only be simulated using averaging approaches that filter out the locations of individual particles. In this work, the Euler–Lagrange method is used to simulate large-scale dense particle systems in which each individual particle is tracked. In order to accomplish this, the highly scalable spectral element code nek5000 has been extended to handle the multiple levels of multiphase coupling in these systems. These levels include what has been called one-, two-, and four-way coupling. Here, each level has been separated to detail the computational impact of each stage. A binned ghost particle algorithm has also been developed to efficiently handle the challenges of two- and four-way coupling in a parallel processing context. The algorithms and their implementations are then shown to scale to 65,536 Message Passing Interface (MPI) ranks in both the strong and weak limits. After this, validation is performed through simulation of a small-scale fluidized bed. Lastly, a large-scale fluidized bed is simulated with 65,536 MPI ranks and is able to capture the unique physics of the onset of fluidization.

Computer Science↗

DOE OSTI2011

Macro-to-microchannel transition in two-phase flow: Part 1 - Two-phase flow patterns and film thickness measurements

The classification of macroscale, mesoscale and microscale channels with respect to two-phase processes is still an open question. The main objective of this study focuses on investigating the macro-to-microscale transition during flow boiling in small scale channels of three different sizes with three different refrigerants over a range of saturation conditions to investigate the effects of channel confinement on two-phase flow patterns and liquid film stratification in a single circular horizontal channel (Part 2 covers the flow boiling heat transfer and critical heat flux). This paper presents the experimental two-phase flow pattern transition data together with a top/bottom liquid film thickness comparison for refrigerants R134a, R236fa and R245fa during flow boiling in small channels of 1.03, 2.20 and 3.04 mm diameter. Based on this work, an improved flow pattern map has been proposed by determining the flow patterns transitions existing under different conditions including the transition to macroscale slug/plug flow at a confinement number of Co {approx} 0.3-0.4. From the top/bottom liquid film thickness comparison results, it was observed that the gravity forces are fully suppressed and overcome by the surface tension and shear forces when the confinement number approaches 1, Co {approx} 1. Thus, as a new approximate rule, the lower threshold of macroscale flow is Co = 0.3-0.4 while the upper threshold of symmetric microscale flow is Co {approx} 1 with a transition (or mesoscale) region in-between. (author)

42 ENGINEERING↗

DOE OSTI2024

Framework of compressive sensing and data compression for 4D-STEM

Four-dimensional Scanning Transmission Electron Microscopy (4D-STEM) is a powerful technique for high-resolution and high-precision materials characterization at multiple length scales, including the characterization of beam-sensitive materials. However, the field of view of 4D-STEM is relatively small, which in absence of live processing is limited by the data size required for storage. Furthermore, the rectilinear scan approach currently employed in 4D-STEM places a resolution- and signal-dependent dose limit for the study of beam sensitive materials. Improving 4D-STEM data and dose efficiency, by keeping the data size manageable while limiting the amount of electron dose, is thus critical for broader applications. Here we introduce a general method for reconstructing 4D-STEM data with subsampling in both real and reciprocal spaces at high fidelity. The approach is first tested on the subsampled datasets created from a full 4D-STEM dataset, and then demonstrated experimentally using random scan in real-space. The same reconstruction algorithm can also be used for compression of 4D-STEM datasets, leading to a large reduction (100 times or more) in data size, while retaining the fine features of 4D-STEM imaging, for crystalline samples.

4D-STEM↗

DOE OSTI2014

Automated data extraction from in situ protein stable isotope probing studies

Protein stable isotope probing (protein-SIP) has strong potential for revealing key metabolizing taxa in complex microbial communities. While most protein-SIP work to date has been performed under controlled laboratory conditions to allow extensive isotope labeling of the target organism, a key application will be in situ studies of microbial communities under conditions that result in small degrees of partial labeling. One hurdle restricting large scale in situ protein-SIP studies is the lack of algorithms and software for automated data processing of the massive data sets resulting from such studies. In response, we developed Stable Isotope Probing Protein Extraction Resources software (SIPPER) and applied it for large scale extraction and visualization of data from short term (3 h) protein-SIP experiments performed in situ on Yellowstone phototrophic bacterial mats. Several metrics incorporated into the software allow it to support exhaustive analysis of the complex composite isotopic envelope observed as a result of low amounts of partial label incorporation. SIPPER also enables the detection of labeled molecular species without the need for any prior identification.

13C labeling↗

DOE OSTI2019

A Fokker–Planck approach to a moment closure for mixing in variable-density turbulence

We develop a theory for the cascade mixing terms in a moment closure approach to binary active scalar mixing in variable-density turbulence. To address the variable-density complications we apply, as a principle and constraint, the conservation of the probability density function (PDF) through a Fokker–Planck equation with bounded sample space whose attractor is the beta PDF with skewness. Mixing is related to a single-point PDF as a realisability principle to provide mathematically rigorous expressions for the small scale statistics in terms of largescale moments. The problem of the unknown small-scale mixing is replaced with the determination of the drift and diffusion terms of a Fokker–Planck equation in a beta-PDF-convergent stochastic process. We find that realisability of a beta-convergent process requires the mixing time-scale ratio, taken as a constant in passive scalar mixing, to be a function of the mean mass fraction, mean fluid density, the Atwood number, the density-volume correlation and moments of the density field. We develop and compare the new model with direct numerical simulations data of non-stationary homogeneous variable-density turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗