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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Topography Controls Variability in Circumpolar Permafrost Thaw Pond Expansion

Abstract One of the most conspicuous signals of climate change in high‐latitude tundra is the expansion of ice wedge thermokarst pools. These small but abundant water features form rapidly in depressions caused by the melting of ice wedges (i.e., meter‐scale bodies of ice embedded within the top of the permafrost). Pool expansion impacts subsequent thaw rates through a series of complex positive and negative feedbacks which play out over timescales of decades and may accelerate carbon release from the underlying sediments. Although many local observations of ice wedge thermokarst pool expansion have been documented, analyses at continental to pan‐Arctic scales have been rare, hindering efforts to project how strongly this process may impact the global carbon cycle. Here we present one of the most geographically extensive and temporally dense records yet compiled of recent pool expansion, in which changes to pool area from 2008 to 2020 were quantified through satellite‐image analysis at 27 survey areas (measuring 10–35 km 2 each, or 400 km 2 in total) dispersed throughout the circumpolar tundra. The results revealed instances of rapid expansion at 44% (15%) of survey areas. Considered alone, the extent of departures from historical mean air temperatures did not account for between site variation in rates of change to pool area. Pool growth was most clearly associated with upland (i.e., hilly) terrain and elevated silt content at soil depths greater than one meter. These findings suggest that, at short time scales, pedologic and geomorphologic conditions may exert greater control on pool dynamics in the warming Arctic than spatial variability in the rate of air temperature increases.

Abolt, C. J.↗
DOE OSTI2022

Entropy variations and light ray operators from replica defects

We study the defect operator product expansion (OPE) of displacement operators in free and interacting conformal field theories using replica methods. We show that as n approaches 1 a contact term can emerge when the OPE contains defect operators of twist d - 2. For interacting theories and general states we give evidence that the only possibility is from the defect operator that becomes the stress tensor in the n → 1 limit. This implies that the quantum null energy condition (QNEC) is always saturated for CFTs with a twist gap. As a check, we show independently that in a large class of near vacuum states, the second variation of the entanglement entropy is given by a simple correlation function of averaged null energy operators as studied by Hofman and Maldacena. This suggests that sub-leading terms in the defect OPE are controlled by a defect version of the spin-3 non-local light ray operator and we speculate about the possible origin of such a defect operator. For free theories this contribution condenses to a contact term that leads to violations of QNEC saturation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Enhancers in Plant Development, Adaptation and Evolution

Understanding plant responses to developmental and environmental cues is crucial for studying morphological divergence and local adaptation. Gene expression changes, governed by cis-regulatory modules (CRMs) including enhancers, are a major source of plant phenotypic variation. However, while genome-wide approaches have revealed thousands of putative enhancers in mammals, far fewer have been identified and functionally characterized in plants. This review provides an overview of how enhancers function to control gene regulation, methods to predict DNA sequences that may have enhancer activity, methods utilized to functionally validate enhancers and the current knowledge of enhancers in plants, including how they impact plant development, response to environment and evolutionary adaptation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Microstructural Engineering and Accelerated Test Method Development to Achieve Low Cost, High Performance Solutions for Hydrogen Storage and Delivery

This project made advancements in developing lower cost steel alloys with novel microstructural design for use in hydrogen refueling infrastructure such as storage, compressors, and dispensing components, and utilizing accelerated test methods to efficiently evaluate variations in alloy and microstructure design. The project specifically sought to design alloys with lower nickel contents to reduce alloy cost, which was accomplished through substituting manganese for nickel along with other alloy additions to control deformation characteristics known to be important for hydrogen embrittlement resistance. Through Mn substitutions for nickel, austenitic and duplex austenite-ferrite steels were successfully developed with lower cost than currently available commercial stainless steel products that are employed for hydrogen refueling infrastructure. The steels were processed to achieve comparable strength and toughness in hydrogen environments as the commercially available steels containing high Ni contents. To evaluate mechanical performance in hydrogen, a testing methodology was employed to compare ubiquitous laboratory testing using electrochemical hydrogen charging in a liquid electrolyte to less accessible high pressure gaseous testing. While the application of these steels is in high pressure gaseous environments, the electrochemical hydrogen charging tests produced comparable results. Additionally, the Los Alamos Neutron Scatting Center enabled characterization of deformation mechanisms of the steel alloys in the presence of hydrogen, which has been associated with steel alloy characteristics associated with hydrogen embrittlement. Finally, a fracture mechanics based test bed model was developed to predict the influence of hydrogen gas pressure and fatigue conditions on fatigue lifetimes of pressure vessel steels. Together, these developments can be employed to enable lower cost hydrogen fueling infrastructure and more reliable prediction of steel alloy components in hydrogen service conditions. In particular, the newly alloys have the potential to replace stainless steels, having demonstrated comparable performance at substantially reduced cost.

08 HYDROGEN↗
DOE OSTI2024

Considering interplay between multiple physical phenomena to elucidate single crystal-like texture, phase transformations, and mechanical behavior of directed energy deposited SS316L

A widespread implementation of large scale additive manufacturing (AM) processes, such as wire arc-directed energy deposition (WA-DED) AM can transform the current manufacturing supply chain networks. Naturally, such implementation requires control of the microstructural attributes, such as texture and phase evolution in the processed alloys. Currently, the texture evolution in fusion-based AM (F-BAM) processes is majorly rationalized by the phenomena occurring only during solidification. However, such rationalization is insufficient for understanding the evolution of primary and secondary crystallographic orientations, and consequently, fails to offer a comprehensive understanding and control of overall texture in F-BAM processed alloys. To this end, we report a single crystal (SX)-like texture in WA-DED processed SS316L for the first time. Furthermore, we assess the physical phenomena that may lead to such unique microstructural evolution during WA-DED AM. Subsequently, using microstructural characterization spanning the build height and thermomechanical simulations we investigate the effect of competitive growth and epitaxial growth occurring during solidification and thermally induced plastic deformation occurring post solidification on the overall texture of WA-DED processed SS316L. A spatial variation in solidification pathway is also established and correlated with variation in undercoolings across the build. Tensile tests revealed a strong orientation dependence of deformation mechanisms with over 110% elongation to failure of specimens deformed along <011>. Such anisotropy is rationalized using Schmid's analysis of dislocation slip and deformation twinning. Importantly, overall, the mechanisms outlined in this work will facilitate an enhanced understanding and subsequent control of texture evolution, solidification behavior and mechanical behavior of WA-DED processed steels.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Engineering the atomic structure of sequence-defined peptoid polymers and their assemblies

Peptoids are a family of sequence-defined, non-natural biomimetic polymers which show excellent properties including good chemical and enzymatic stability and high structural tunability. The solid-phase submonomer synthesis method allows precise control over the identity and sequence of chemically diverse side chains, enabling the atomic engineering of their chemical structures for a variety of applications. This unprecedented level of structural control enables access to atomically defined three-dimensional chain conformations and assemblies, facilitating the design and optimization of a variety of nanoscale architectures that can function in biology and materials science. In order to approach the rational design of peptoid materials in a more predictive and precise manner, it is crucial to fully understand how chemical information, in the form of the monomer sequence, encodes their folding and assembly into structurally defined, functional 3D shapes. Furthermore, this perspective focuses on recent studies into the atomic engineering of peptoid nanostructures by examining the impact of sequence variations on their secondary and three-dimensional structures, as well as their functional properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Mobile Sensing for Wind Field Estimation in Wind Farms: Preprint

This paper introduces a novel approach for estimating the wind field over an entire wind farm using a mobile sensor to collect limited amounts of data. The proposed method estimates the boundary conditions of a simplified turbine wake model by computing the model sensitivity matrix and using a recursive least-squares algorithm to recover the model parameters from the wind field measurements. To address the fact that it is not practical to take measurements across the entire wind farm, the proposed method classifies each area on the map based on its sensitivity to parameter variations. This classification is then used to generate a suitable path for a mobile sensor, which is charged with collecting data for the recursive least-squares algorithm. The proposed framework can successfully estimate the model boundary conditions using just the measurements collected along the path of the mobile sensor. This preliminary result paves the way for using real-time wind field estimates for the coordinated control of all the turbines within a wind farm.

estimation↗
DOE OSTI2022

Control over emergence and alignment of transient blisters in thermo-responsive gels using hierarchically patterned substrates

Surfaces with tunable microscale textures are vital in a large variety of technological applications, including heat transfer, antifouling and adhesion. To facilitate such broad-scale use, there is a need to create surfaces that undergo reconfigurable changes in topology and thus, enable switchable functionality. To date, there is a relative dearth of methods for engineering surfaces that can be actuated to change topography over a range of length scales, and hence, form tunable hierarchically structured layers. Combining modeling and experiments, we design a geometrically patterned, thermo-responsive poly (N-isopropylacrylamide) gel film that undergoes controllable hierarchical changes in topology with changes in temperature. At the bottom, the film is covalently bound to a solid, curved substrate; at the top, the film encompasses longitudinal rectangular ridges that are oriented perpendicular to the underlying cylindrical curves. At temperatures below lower critical solution temperature (LCST), the swollen gel exhibits 3D variations in polymer density and thickness defined by the gel's top and bottom topography. As the temperature rises above LCST, the interplay between the upper ridges and lower curves in the gel drives non-uniform, directional solvent transport, the nucleation and propagation of a phase-separated higher-density skin layer, and the resulting pressure buildup within the film. These different, interacting kinetic processes lead to an instability, which produces transient microscopic blisters in the film. Through simulations, we show how tuning the width of the ridges modifies the propagation of a skin layer and creates localized pressure build-up points, which enables control over the emergence, distribution, and alignment of the microscopic blisters. Futhermore, we provide a simple argument to predict the size of such microscopic features. Experiments confirm our predictions and further highlight how our computational model enables the rational design of topographical transitions in these tunable films. The development of actuatable, hierarchically structured films provides new routes for achieving switchable functionality in actuators, drug release systems and adhesives.

42 ENGINEERING↗
DOE OSTI2021

Microbial community composition controls carbon flux across litter types in early phase of litter decomposition

Leaf litter decomposition is a major carbon input to soil, making it a target for increasing soil carbon storage through microbiome engineering. We expand upon previous findings to show with multiple leaf litter types that microbial composition can drive variation in carbon flow from litter decomposition and specific microbial community features are associated with synonymous patterns of carbon flow among litter types. Although plant litter type selects for different decomposer communities, within a litter type, microbial composition drives variation in the quantity of dissolved organic carbon (DOC) measured at the end of the decomposition period. Bacterial richness was negatively correlated with DOC quantity, supporting our hypothesis that across multiple litter types there are common microbial traits linked to carbon flow patterns. Variation in DOC abundance (i.e. high versus low DOC) driven by microbial composition is tentatively due to differences in bacterial metabolism of labile compounds, rather than catabolism of non-labile substrates such as lignin. The temporal asynchrony of metabolic processes across litter types may be a substantial impediment to discovering more microbial features common to synonymous patterns of carbon flow among litters. Overall, our findings support the concept that carbon flow may be programmed by manipulating microbial community composition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A simplified integrated framework for predicting the economic impacts of feedstock variations in a catalytic fast pyrolysis conversion process

Feedstock attributes of lignocellulosic biomass, such as particle size, compositional makeup, and moisture content, can vary substantially even within pre-processed materials and have a significant effect on conversion in fast pyrolysis-based processes. However, the economic impacts of these attributes are not well understood. To address this, biomass deconstruction phenomena captured with a versatile particle-scale simulation were linked to techno-economic impacts via reduced-order models. Parametric analysis of the particle-scale model, which was validated using literature data, was used in combination with multiple linear regression models to develop correlations between feedstock attributes and yields of pyrolysis oil, gas, and char. Yields were then correlated with the minimum fuel selling price (MFSP) using a techno-economic model, bridging the gap between physics-based biomass conversion simulations and predictions of MFSP for a catalytic fast-pyrolysis process. Empirical correlations derived from the literature regarding the impact of mineral matter (ash) on oil yield were also considered. The model correlations deployed in the integrated framework capture the impacts of variation in feedstock attributes on the MFSP. Variations in ash were shown to have the biggest impact, varying MFSP by -13%/+22% due to catalytic effects and lower relative amounts of convertible lignocellulosic material. It was also found that, if ash can be controlled to low levels, the increased extractives in forest residues can help compensate for some yield losses associated with increased ash. As a result, other inputs considered (particle size, moisture content, and reactor temperature) had relatively negligible effects on process economics within the ranges analyzed considering particle-scale effects alone.

BIOMASS FUELS↗
DOE OSTI2024

Impact of Dihedral Angle in Conjugated Organic Cation on the Structures and Properties of Organic‐Inorganic Lead Iodides

Abstract Conjugated organic cations are intriguing for organic‐inorganic halide perovskites due to their direct participation in the optoelectronic properties of hybrid materials. In conjugated cations, the dihedral angle, or torsion angle, between adjacent aromatic rings is a critical secondary structural element. This angle influences not only the shape of the cations but also the overlap between the π‐orbitals on adjacent rings, thereby affecting their electronic properties. Understanding how variations in the dihedral angle impact the structure and properties of hybrid organic‐inorganic metal halides (HOIMHs) is fundamentally important. In this study, we utilized 2,2′‐dimethyl bipyridinium as the organic cation, reacting it with PbI₂ to form hybrid lead iodides. Remarkably, variations in the dihedral angle between the two pyridinium rings resulted in the formation of two distinct crystal structures with different band gaps. Our findings demonstrate that manipulating the dihedral angle offers a novel approach to controlling the structures and properties of hybrid metal halides with conjugated cations.

Chandra Patra, Bidhan [Department of Chemistry and↗
DOE OSTI2026

Catalytic resonance theory for the kinetic signatures of multiple wavelength photocatalysis

Multi-step surface chemistry promoted with one or two wavelengths of light exhibited distinct kinetic signatures indicative of the light-adsorbate interactions and the number of photon-sensitive elementary steps. In this work, kinetic Monte Carlo simulations identified the kinetic response of general surface mechanisms to variation in the per-site photon flux of one or two wavelengths of incident light. Photocatalytic rates were described via a non-dimensional photon flux, identifying multiple kinetic regimes with unique degrees of rate control. Under photon-controlled kinetic conditions, maximum quantum yield and turnover frequency were obtained under constant illumination, while pulsing of one or more light sources was shown to exhibit slower rates and less efficient photocatalytic promotion due to the inherent dynamic nature of light, which comprises a stream of photons. Simulations provided distinct kinetic signatures in catalytic rates and Arrhenius kinetics for specific light-surface-adsorbate interactions corresponding to photocatalytic promotion of specific steps in surface chemistry.

catalytic resonance↗
DOE OSTI2021

Interpreting the Diurnal Cycle of Clouds and Precipitation in the ARM GoAmazon Observations: Shallow to Deep Convection Transition

The Green Ocean Amazon (GoAmazon) 2014/5 field campaign data are used to study the diurnal cycle of clouds and precipitation. Through a careful classification of days with shallow cumulus, congestus and deep convection, we investigate the major differences among locally generated convection regimes and the most important environmental factors governing the shallow-to-deep convection transition. On shallow cumulus days, a greater sensible heat flux drives deeper boundary layer growth, which entrains drier free-tropospheric air and lowers the relative humidity, thus leading to a significantly higher cloud base than those on days with deeper convection. Congestus and deep convection regimes exhibit distinct cloud top height distributions with noticeable differences in the vertical wind shear in the mid-troposphere, suggesting an important role of wind shear in limiting the vertical extent of convection. On deep convection days, with preexisting nocturnal convection or cold-pools from external disturbances, the timing of peak surface precipitation (12:00–13:00 LST) tends to be in-phase with the diurnal variation in surface fluxes. However, it takes longer for local deep convection to develop without these disturbances. A plume model with thermodynamic and dynamical constraints is developed to explore the relative importance of various convection-controlling factors. Initial cloud-base vertical velocity and buoyancy are important in helping parcels ascend to the level of free convection (LFC). After parcels reach the LFC, entrainment of environmental air and lower free troposphere humidity become crucial in determining cloud top. Entrainment rate differentiates among convection regimes, which may be tied to the cloud size distribution at cloud base.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Mycorrhizal fungi modify decomposition: a meta‐analysis

Summary It has been proposed that ectomycorrhizal fungi can reduce decomposition while arbuscular mycorrhizal fungi may enhance it. These phenomena are known as the ‘Gadgil effect’ and ‘priming effect’, respectively. However, it is unclear which one predominates globally. We evaluated whether mycorrhizal fungi decrease or increase decomposition, and identified conditions that mediate this effect. We obtained decomposition data from 43 studies (97 trials) conducted in field or laboratory settings that controlled the access of mycorrhizal fungi to substrates colonized by saprotrophs. Across studies, mycorrhizal fungi promoted decomposition of different substrates by 6.7% overall by favoring the priming effect over the Gadgil effect. However, we observed significant variation among studies. The substrate C : N ratio and absolute latitude influenced the effect of mycorrhizal fungi on decomposition and contributed to the variation. Specifically, mycorrhizal fungi increased decomposition at low substrate C : N and absolute latitude, but there was no discernable effect at high values. Unexpectedly, the effect of mycorrhizal fungi was not influenced by the mycorrhizal type. Our findings challenge previous assumptions about the universality of the Gadgil effect but highlight the potential of mycorrhizal fungi to negatively influence soil carbon storage by promoting the priming effect.

Plant Sciences↗
DOE OSTI2021

Simulation of Premixed and Partially Premixed Jet-in-Crossflow Flames at High Pressure

In this paper, we explore the operational map of a lean axial-staged combustor of premixed and partially premixed reacting jet-in-crossflow flames at high -pressure (5 atm). This study attempts to expand the data to relatively high pressure and could significantly aid scaling to real gas turbine engine conditions at 20–30 atm. High-speed camera, particle image velocimetry (PIV), CH* chemiluminescence, temperature, and pressure measurements were taken and processed to allow accurate reconstruction of six operating points relative to computational fluid dynamics (CFD) simulations under minimal adjustments. Variation of lean main stage (φ = 0.575 and 0.73) and rich jet (φ = 1.1, 4, and 8) equivalence ratio has been investigated for a four mm axial jet. The fully premixed flames were found to be controlled by the crossflow temperature before ignition and the crossflow oxygen content during combustion. Analysis of flame shape and position for the partially premixed operating points describes a lee stabilized as well as a more unsteady windward flame branch. Adjustment of added jet fuel and crossflow temperature along with its corresponding oxygen level is required to attain a compact flame body. Here, the risk of delaying combustion progress is significantly increased at a richer jet φ = 8 and an overshooting, spatially divided flame was attained with a main stage φ = 0.73. Control toward a compact flame body is critical to allow combustion at reasonable reaction rate.

03 NATURAL GAS↗
DOE OSTI2025

Assessment of Microstructure Prediction Capabilities for Powder Bed Fusion Stainless Steel 316

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the characteristic process-structure-property relationships of additive manufacturing (AM) materials pose challenges for the qualification and certification of AM nuclear components. In particular, component-scale variations in microstructure and properties can be driven by localized changes in melt pool dynamics due to how process parameters interact with different part geometries. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents final results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing identified challenges and future opportunities for connecting the developed simulation workflow with mechanics simulations for prediction of part performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dynamic Probabilistic Safety Assessment Studies for Advanced Reactor Using RAVEN

Probabilistic Safety Assessment (PSA) is used extensively to evaluate the risks associated with complex engineering systems like Nuclear Power Plants (NPPs). Current PSA models are based on the Event-Tree/Fault-Tree (ET/FT) methodology. ET and FT models are static and are based on Boolean logic approaches. In the past, concerns have been raised in the literature regarding the capability of the traditional static modelling approaches to adequately account for the impact of process, hardware, software, firmware and human interactions on the stochastic system behaviour. To overcome the limitations of the traditional approach to PSA, several dynamic PSA methodologies have been proposed. One of the dynamic PSA methodologies used for dynamic evaluations is Dynamic Event Tree (DET) framework which can be used to assess the impact of the parameter variability and scenario dynamics on the PSA model for the initiating event. The DET framework couples the stochastic model (number of component/trains that start on demand, operator action timing, etc.) with a Thermal-Hydraulic (TH) model of the plant. This paper explores the use of DET along with a case study on advanced reactor. The initiating event selected for the study was Class IV power supply failure event. The TH analysis considering uncertainty in various parameters was performed using RELAP5 and Reactor Analysis and Virtual control ENvironment (RAVEN) tool. Based on the uncertainty analysis, it is concluded that the peak clad temperatures (PCT) are within the limits in all the code runs implying a high-degree of safety margin. However, variation in time to reach the PCT was observed among the code runs and the mean time to reach the PCT was found to be around 8590sec (approximately 2.4 hours). Hence, sufficient time margin is available for human intervention and the operator might have a relatively stress-free state during such an accident scenario. Due to the static nature of the traditional PSA models, the safety margin available was lesser, whereas, with the help of dynamic PSA models, one can demonstrate that the actual available safety margin is more in the present case study and is valuable input from the design point of view.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Obvious and non-obvious aspects of digital Self-Excited-Loops for SRF cavity control

In 1978, Delayen showed how Self-Excited Loops (SEL) can be used to great advantage for controlling narrow-band SRF cavities. Its key capability is establishing closed-loop amplitude control early in the setup process, stabilizing Lorentz forces to allow cavity tuning and phase loop setup in a stable environment. As people around the world implement this basic idea with modern FPGA DSP technology, multiple variations and operational scenarios creep in that have both obvious and non-obvious ramifications for latency, feedback stability, and resiliency. This paper will review the key properties of a Delayen-style SEL when set up for open-loop, amplitude stabilized, and phase-stabilized modes. Then the original analog circuit will be compared and contrasted with the known variations of digital CORDIC-based implementations.

Doolittle, Larry [LBL, Berkeley]↗