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DOE OSTI2025

Single photon emitters in van der Waals solids for quantum photonics: materials, theory and molecular-scale characterization probes

Strong light–matter interactions in two-dimensional layered materials (2D materials) have attracted the interest of researchers from interdisciplinary fields for more than a decade now. A unique phenomenon in some 2D materials is their large exciton binding energies (BEs), increasing the likelihood of exciton survival at room temperature. It is this large BE that mediates the intense light–matter interactions of many of the 2D materials, particularly in their monolayer limit, where the interplay of excitonic phenomena poses a wealth of opportunities for high-performance optoelectronics and quantum photonics. Within quantum photonics, quantum information science (QIS) is growing rapidly, where photons are a promising platform for information processing due to their low-noise properties, excellent modal control, and long-distance propagation. A central element for QIS applications is a single photon emitter (SPE) source, where an ideal on-demand SPE emits exactly one photon at a time into a given spatiotemporal mode. Recently, 2D materials have shown practical appeal for QIS which is directly driven from their unique layered crystalline structure. This structural attribute of 2D materials facilitates their integration with optical elements more easily than the SPEs in conventional three-dimensional solid state materials, such as diamond and SiC. In this review article, we will discuss recent advances made with 2D materials towards their use as quantum emitters, where the SPE emission properties maybe modulated deterministically. Here, the use of unique scanning tunneling microscopy tools for the in-situ generation and characterization of defects is presented, along with theoretical first-principles frameworks and machine learning approaches to model the structure-property relationship of exciton–defect interactions within the lattice towards SPEs. Given the rapid progress made in this area, the SPEs in 2D materials are emerging as promising sources of nonclassical light emitters, well-poised to advance quantum photonics in the future.

2D layered materials↗

DOE OSTI2026

Extension of Clad Damage Propagation Model for Fission Gas Dispersal and Two-Phase Flow Effects in MOOSE SubChannel Module

This report presents an extension of the Clad Damage Propagation (CDAP) model implemented in the MOOSE SubChannel Module (SCM) to capture post-failure fission-gas dispersal and two-phase flow effects in sodium-cooled fast reactor assemblies. The extended model tracks discharged gas axially and radially, computes channel-averaged flow quality and void fraction using a Lockhart–Martinelli framework, evaluates two-phase frictional pressure-drop multipliers, determines inlet mass-flow degradation under fixed core pressures, and applies an intensified-void-based heat-transfer degradation to affected fuel pins. Radial plume expansion is parameterized using mineral-oil jet experiments mapped to sodium conditions via Reynolds–Weber similarity. Implementation details are documented, along with the new methods and user inputs needed to control plume mapping and two-phase behavior. Demonstration simulations for 19- and 37-pin bundles show that breach size and inlet velocity strongly influence propagation potential: small breaches (≤0.5 mm) produce limited degradation while larger breaches (~1 mm) can drive oscillatory temperature spikes and enhanced failure propagation, especially at higher velocities. These results demonstrate that the extended CDAP model provides a more complete framework for quantifying cladding damage propagation and evaluating propagation potential in transient scenarios. The approach remains computationally efficient, consistent with subchannel-level analysis, yet incorporates sufficient physics to bridge localized post-failure effects with bundle- and assembly-scale degradation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Development of a Stochastic Infiltration Model for PPA Implementation - 19293

Performance Assessment models often require inputs representing specific hydrologic processes and properties such as infiltration, water content, groundwater flow rate, streamflow, and sediment flux. This paper details the development of a process-level infiltration model and its use in a Probabilistic Performance Assessment (PPA) model for the West Valley Site in western New York. Additionally, this paper demonstrates a method for obtaining distributions of the long-term average hydrologic processes and properties for a PA model. For this PPA, an infiltration model was developed using HELP (Hydrologic Evaluation of Landfill Performance) to evaluate the rates of infiltration, percolation, and drainage through several site soil and proposed decommissioning cover systems, as well as the volumetric water contents of each of the unsaturated layers in a modeled soil column. A particular challenge of probabilistic modeling over long periods of time is scaling parameters appropriately so that outcomes are not grossly over- or underestimated. For these models, distributions of climatic parameters such as average precipitation rate, temperature, wind speed, humidity, and solar radiation were scaled to 1000-year averages and were used to force steady-state models that predict 1000-year average infiltration rates, drainage rates, and water contents. For the HELP model, distributions were developed for the physical and hydrologic properties of each material in a given soil column or cover system, and these properties were allowed to vary stochastically along with climatic inputs. The HELP model was run 5000 times for each of seven different soil and cover systems representing various existing and proposed conditions (i.e. native soil, backfill, existing covers, and a proposed close-in-place cover). The results of the HELP model provide ranges of 1000-year average infiltration rates, drainage rates, and water contents through and within the various layers of each of the different soil and cover conditions. The model outcomes also demonstrate the effectiveness of a proposed close-in-place cover, which essentially eliminates infiltration during its operational lifetime. Following model simulation, a sensitivity analysis was performed to establish the relative importance of each stochastic input with respect to each output. The outcomes of the model simulations and the sensitivity analysis were implemented into a system-level GoldSim model via a novel sensitivity-informed nearest neighbor approach. These infiltration rates, drainage rates, and water contents are used to parameterize mixing cells within the GoldSim Contaminant Transport module, which is the primary system-level model used in the PPA. The infiltration rates are also used as boundary conditions for a stochastic groundwater flow model that is also utilized in the PPA, but not discussed in this paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2016

DeepSAT: A Deep Learning Approach to Tree-Cover Delineation in 1-m NAIP Imagery for the Continental United States

High resolution tree cover classification maps are needed to increase the accuracy of current land ecosystem and climate model outputs. Limited studies are in place that demonstrates the state-of-the-art in deriving very high resolution (VHR) tree cover products. In addition, most methods heavily rely on commercial softwares that are difficult to scale given the region of study (e.g. continents to globe). Complexities in present approaches relate to (a) scalability of the algorithm, (b) large image data processing (compute and memory intensive), (c) computational cost, (d) massively parallel architecture, and (e) machine learning automation. In addition, VHR satellite datasets are of the order of terabytes and features extracted from these datasets are of the order of petabytes. In our present study, we have acquired the National Agriculture Imagery Program (NAIP) dataset for the Continental United States at a spatial resolution of 1-m. This data comes as image tiles (a total of quarter million image scenes with ~60 million pixels) and has a total size of ~65 terabytes for a single acquisition. Features extracted from the entire dataset would amount to ~8-10 petabytes. In our proposed approach, we have implemented a novel semi-automated machine learning algorithm rooted on the principles of "deep learning" to delineate the percentage of tree cover. Using the NASA Earth Exchange (NEX) initiative, we have developed an end-to-end architecture by integrating a segmentation module based on Statistical Region Merging, a classification algorithm using Deep Belief Network and a structured prediction algorithm using Conditional Random Fields to integrate the results from the segmentation and classification modules to create per-pixel class labels. The training process is scaled up using the power of GPUs and the prediction is scaled to quarter million NAIP tiles spanning the whole of Continental United States using the NEX HPC supercomputing cluster. An initial pilot over the state of California spanning a total of 11,095 NAIP tiles covering a total geographical area of 163,696 sq. miles has produced true positive rates of around 88 percent for fragmented forests and 74 percent for urban tree cover areas, with false positive rates lower than 2 percent for both landscapes.

Imagery↗

DOE OSTI2025

Meta Biome: a multiscale model integrating agent-based and metabolic networks to reveal spatial regulation in gut mucosal microbial communities

ABSTRACT Mucosal microbial communities (MMCs) are complex ecosystems near the mucosal layers of the gut essential for maintaining health and modulating disease states. Despite advances in high-throughput omics technologies, current methodologies struggle to capture the dynamic metabolic interactions and spatiotemporal variations within MMCs. In this work, we presentMetaBiome, a multiscale model integrating agent-based modeling (ABM), finite volume methods, and constraint-based models to explore the metabolic interactions within these communities. Integrating ABM allows for the detailed representation of individual microbial agents each governed by rules that dictate cell growth, division, and interactions with their surroundings. Through a layered approach—encompassing microenvironmental conditions, agent information, and metabolic pathways—we simulated different communities to showcase the potential of the model. Using ourin-silicoplatform, we explored the dynamics and spatiotemporal patterns of MMCs in the proximal small intestine and the cecum, simulating the physiological conditions of the two gut regions. Our findings revealed how specific microbes adapt their metabolic processes based on substrate availability and local environmental conditions, shedding light on spatial metabolite regulation and informing targeted therapies for localized gut diseases.MetaBiome provides a detailed representation of microbial agents and their interactions, surpassing the limitations of traditional grid-based systems. This work marks a significant advancement in microbial ecology, as it offers new insights into predicting and analyzing microbial communities. IMPORTANCE Our study presents a novel multiscale model that combines agent-based modeling, finite volume methods, and genome-scale metabolic models to simulate the complex dynamics of mucosal microbial communities in the gut. This integrated approach allows us to capture spatial and temporal variations in microbial interactions and metabolism that are difficult to study experimentally. Key findings from our model include the following: (i) prediction of metabolic cross-feeding and spatial organization in multi-species communities, (ii) insights into how oxygen gradients and nutrient availability shape community composition in different gut regions, and (iii) identification of spatiallyregulated metabolic pathways and enzymes inE. coli. We believe this work represents a significant advance in computational modeling of microbial communities and provides new insights into the spatial regulation of gut microbiome metabolism. The multiscale modeling approach we have developed could be broadly applicable for studying other complex microbial ecosystems.

Microbiology↗

DOE OSTI2023

Insights into ENSO Diversity from an Intermediate Coupled Model. Part II: Role of Nonlinear Dynamics and Stochastic Forcing

Abstract In this study, we investigate how a single leading linear El Niño–Southern Oscillation (ENSO) mode, as studied in Part I, leads to the irregular coexistence of central Pacific (CP) and eastern Pacific (EP) ENSO, a phenomenon known as ENSO spatiotemporal diversity. This diversity is fundamentally generated by deterministic nonlinear pathways to chaos via the period-doubling route and, more prevailingly, the subharmonic resonance route with the presence of a seasonally varying basic state. When residing in the weakly nonlinear regime, the coupled system sustains a weak periodic oscillation with a mixed CP/EP pattern as captured by the linear ENSO mode. With a stronger nonlinearity effect, the ENSO behavior experiences a period-doubling bifurcation. The single ENSO orbit splits into coexisting CP-like and EP-like ENSO orbits. A sequence of period-doubling bifurcation results in an aperiodic oscillation featuring irregular CP and EP ENSO occurrences. The overlapping of subharmonic resonances between ENSO and the seasonal cycle allows this ENSO irregularity and diversity to be more readily excited. In the strongly nonlinear regime, the coupled system is dominated by regular EP ENSO. The deterministic ENSO spatiotemporal diversity is thus confined to a relatively narrow range corresponding to a moderately unstable ENSO mode. Stochastic forcing broadens this range and allows ENSO diversity to occur when the ENSO mode is weakly subcritical. A close relationship among a weakened mean zonal temperature gradient, stronger ENSO activity, and more (fewer) occurrences of EP (CP) ENSO is noted, indicating that ENSO–mean state interaction may yield ENSO regime modulations on the multidecadal time scale.

Geng, Licheng↗

DOE OSTI2020

Plant‐mediated methane transport in emergent and floating‐leaved species of a temperate freshwater mineral‐soil wetland

Abstract Methane flux from freshwater mineral‐soil (FWMS) wetlands and its variability among sites is largely modulated by plant‐mediated transport. However, plant‐mediated transport processes are rarely resolved in land surface models and are poorly parametrized for plants commonly found in FWMS wetlands. Here, relationships between methane flux and CO 2 uptake, as well as plant conductance of methane were evaluated for three plant species and two characteristic functional types: emergent (narrow‐leaved cattail) and floating‐leaved (American lotus and water lily). We found significant but contrasting correlations between methane flux and CO 2 uptake in cattails ( r 2 = 0.51, slope = −0.16, during morning) and water lily ( r 2 = 0.32, slope = 0.064, after midday). This relationship was not significant in American lotus, showing that stomata regulation of methane fluxes is species‐specific and not generalizable across the floating‐leaved plant functional type. Conductance of methane per leaf area showed distinct seasonal dynamics across species. Conductance was similar among the floating‐leaved species (6.2 × 10 −3 m d −1 in lotus and 7.2 × 10 −3 m d −1 in water lily) and higher than conductance in the emergent species (2.7 × 10 −3 m d −1 ). Our results provide direct observations of plant conductance rates and identify the vegetation parameters (leaf area, stomatal conductance) that modify them. Our results further suggest that models of methane emissions from FWMS should parameterize plant‐mediated transport in different plant functional types, scaled by leaf area and with variable seasonal phenological dynamics, and consider possible species‐specific mechanisms that control methane transport through plants.

Villa, Jorge A.↗

NASA NTRS2008

Laboratory-Model Integrated-System FARAD Thruster

Pulsed inductive plasma accelerators are spacecraft propulsion devices in which energy is stored in a capacitor and then discharged through an inductive coil. The device is electrodeless, inducing a plasma current sheet in propellant located near the face of the coil. The propellant is accelerated and expelled at a high exhaust velocity (order of 10 km/s) through the interaction of the plasma current with an induced magnetic field. The Faraday Accelerator with RF-Assisted Discharge (FARAD) thruster [1,2] is a type of pulsed inductive plasma accelerator in which the plasma is preionized by a mechanism separate from that used to form the current sheet and accelerate the gas. Employing a separate preionization mechanism in this manner allows for the formation of an inductive current sheet at much lower discharge energies and voltages than those found in previous pulsed inductive accelerators like the Pulsed Inductive Thruster (PIT). In a previous paper [3], the authors presented a basic design for a 100 J/pulse FARAD laboratory-version thruster. The design was based upon guidelines and performance scaling parameters presented in Refs. [4, 5]. In this paper, we expand upon the design presented in Ref. [3] by presenting a fully-assembled and operational FARAD laboratory-model thruster and addressing system and subsystem-integration issues (concerning mass injection, preionization, and acceleration) that arose during assembly. Experimental data quantifying the operation of this thruster, including detailed internal plasma measurements, are presented by the authors in a companion paper [6]. The thruster operates by first injecting neutral gas over the face of a flat, inductive acceleration coil and at some later time preionizing the gas. Once the gas is preionized current is passed through the acceleration coil, inducing a plasma current sheet in the propellant that is accelerated away from the coil through electromagnetic interaction with the time-varying magnetic field. Neutral gas is injected over the face of the acceleration coil through a fast-acting valve that feeds a central distribution manifold. The thruster is designed to preionize the gas using an RF-frequency ringing signal produced by a discharging Vector Inversion Generator (VIG). The acceleration stage consists of a multiple-turn, multiple-strand spiral induction coil (see Fig. 1, left panel) and is designed for operation at discharge energies on the order of 100 J/pulse. Several different pulsed power train modules can be used to drive current through the acceleration coil. One such power train is based upon the Bernardes and Merryman circuit topology, which restricts voltage reversal on the capacitor banks and can be clamped to eliminate current reversal in the coil. A second option is a pulse-compression-ring power train (see Fig. 1, right panel), which takesa temporally broad, low current pulse and transforms it into a short, high current pulse.

Polzin, K.A.↗

DOE OSTI2021

AuPd Nanoicosahedra: Atomic-Level Surface Modulation for Optimization of Electrocatalytic and Photocatalytic Energy Conversion

Modulation of bimetallic nanocatalysts with atomic precision would allow for significant increases in catalyst activity through the optimization of heteroatomic interplay. In practice, this level of control over homogeneously turning the heteroatomic states in the surface regions of catalysts remains a great challenge for practical applications requiring mass production. In this work, a one-step aqueous strategy for preparation of AuPd nanoicosahedra core–shell structures has been developed. By turning the molar ratio of Au and Pd precursors, the nanoicosahedra could be made with uniform core composition (Pd ~20%) and largely flexible surface compositions (Pd: 20–70%). Under model reactions of electrochemical ethanol oxidation (EOR) and 4-nitrophenol (4-NP) reduction, the Au 55 Pd 45 surface displayed superior activities. Here, x-ray absorption spectroscopy revealed that AuPd nanoicosahedra with Pd-poor surfaces (Au 79 Pd 21 and Au 60 Pd 40 ) maintain Au-like electronic structures while those with Pd-rich surfaces are more Pd-like. The Au 55 Pd 45 surface struck a delicate balance between the two extremes, leading to the optimal Au–Pd interplay for catalytic performance. Overall, the development of a one-step aqueous strategy for atomic-level control over bimetallic nanoparticle surface states is an important milestone for future advances in catalysis. Our findings in atomic-scale catalyst design will bring deep insights into the fields of nanosynthesis and heterogeneous catalysis, which will be beneficial for further scientific breakthroughs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2011

Full-Scale Turbofan-Engine Turbine-Transfer Function Determination Using Three Internal Sensors

Existing NASA/Honeywell EVNERT full-scale static engine test data is analyzed by using source-separation techniques in order to determine the turbine transfer of the currently sub-dominant combustor noise. The results are used to assess the combustor-noise prediction capability of the Aircraft Noise Prediction Program (ANOPP). Time-series data from three sensors internal to the Honeywell TECH977 research engine is used in the analysis. The true combustor-noise turbine-transfer function is educed by utilizing a new three-signal approach. The resulting narrowband gain factors are compared with the corresponding constant values obtained from two empirical acoustic-turbine-loss formulas. It is found that a simplified Pratt & Whitney formula agrees better with the experimental results for frequencies of practical importance. The 130 deg downstream-direction far-field 1/3-octave sound-pressure levels (SPL) results of Hultgren & Miles are reexamined using a post-correction of their ANOPP predictions for both the total noise signature and the combustion-noise component. It is found that replacing the standard ANOPP turbine-attenuation function for combustion noise with the simplified Pratt & Whitney formula clearly improves the predictions. It is recommended that the GECOR combustion-noise module in ANOPP be updated to allow for a user-selectable switch between the current transmission-loss model and the simplified Pratt & Whitney formula. The NASA Fundamental Aeronautics Program has the principal objective of overcoming today's national challenges in air transportation. The Subsonic Fixed Wing Project's Reduce-Perceived-Noise Technical Challenge aims to develop concepts and technologies to dramatically reduce the perceived aircraft noise outside of airport boundaries. The reduction of aircraft noise is critical to enabling the anticipated large increase in future air traffic.

Hultgren, Lennart S.↗

DOE OSTI2021

Machine Learning Assisted Safety Modeling and Analysis of Advanced Reactors

With the advances in computational power and numerical methods, analysts can now rely on first-principle simulations to predict ultra-fine details in a variety of applications. Advances in machine learning (ML) have produced algorithms that can now learn high-level abstractions via hierarchical models. This project aims to leverage advances in ML techniques and the available high-resolution simulation data to develop a novel modeling and simulation (M\&S) methodology for reactor safety analysis. While application-agnostic ML techniques are available, complex physics constraints need to be incorporated into ML techniques to build ML-based closures for computationally efficient predictive simulations. This project intends to develop a physics-guided data-driven multi-scale methodology for M\&S of advanced reactors. The project focuses on thermal fluid (T/F) phenomena, which play major roles in advanced reactor safety. Specifically, we propose a data-driven coarse-mesh turbulence model based on local flow features for the transient analysis of thermal mixing and stratification in a sodium-cooled fast reactor (SFR). The model has a coarse-mesh setup to ensure computational efficiency, while it is trained by fine-mesh computational fluid dynamics (CFD) data with Reynolds-averaged Navier-Stokes (RANS) turbulence model to ensure accuracy. Three different neural networks are developed and tested for loss-of-flow transients in the hot pool of SFR, i.e. the densely connected convolutional neural network (DCNN), long-short-term-memory network based on proper orthogonal decomposition (POD-LSTM), and the DCNN informed by LSTM (DCNN-LSTM). The performances of these three neural networks are evaluated based on baseline models. The DCNN-LSTM model has been chosen for further hyperparameter optimization. Furthermore, based on a simplified two-dimensional case, uncertainty quantification (UQ) of the developed ML-based closure are investigated with three methods, i.e. Monte Carlo dropout, deep ensemble, and Bayesian neural network. The developed ML-based turbulent viscosity closure relation based on deep ensemble is then integrated into the system analysis module SAM and serves as a term in the conservation equations. Such a SAM-ML based procedure guarantees that the obtained results are consistent with the physical constraints of the thermal-fluid system. The SAM-ML simulation on the same loss-of-flow transient showed comparable accuracy with the CFD simulation but with a much coarser mesh setup. Last but not least, the ML-based closure improvement with the support of higher-fidelity data from large eddy simulation (LES) is discussed. As a first step towards this direction, a baseline LES simulation is performed to obtain comparable data with RANS results. Based on the early results, future investigation on further improving the ML-based closure is discussed. We believe the developed approach that combines scientific machine learning with nuclear system analysis code can benefit the advanced reactor community as more accurate safety analyses will better characterize reactor safety margins and reduce licensing efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2013

Integration of the Total Lightning Jump Algorithm into Current Operational Warning Environment Conceptual Models

The presence and rates of total lightning are both correlated to and physically dependent upon storm updraft strength, mixed phase precipitation volume and the size of the charging zone. The updraft modulates the ingredients necessary for electrification within a thunderstorm, while the updraft also plays a critical role in the development of severe and hazardous weather. Therefore utilizing this relationship, the monitoring of lightning rates and jumps provides an additional piece of information on the evolution of a thunderstorm, more often than not, at higher temporal resolution than current operational radar systems. This correlation is the basis for the total lightning jump algorithm that has been developed in recent years. In order to become a viable option for operational forecasters to incorporate into their severe storm monitoring process, the total lightning jump must be placed into the framework of several severe storm conceptual models (e.g., radar evolution, storm morphology) which forecasters have built through training and experience. Thus, one of the goals of this study is to examine and relate the lightning jump concept to often used radar parameters (e.g., dBZ vertical structure, VIL, MESH, MESO/shear) in the warning environment. Tying lightning trends and lightning jump occurrences to these radar based parameters will provide forecasters with an additional tool that they can use to build an accurate realtime depiction as to what is going on in a given environment. Furthermore, relating the lightning jump concept to these parameters could also increase confidence in a warning decision they have already made, help tip the scales on whether or not to warn on a given storm, or to draw the forecaster s attention to a particular storm that is rapidly developing. Furthermore the lightning information will add vital storm scale information in regions that are not well covered by radar, or when radar failures occur. The physical basis for the lightning jump algorithm in relation to severe storm dynamics and microphysics is a key component that must be further explored. Many radar studies have examined flash rates and their relation to updraft strength, updraft volume, precipitation -sized ice mass, etc.; however, very few have related the concept of the lightning jump and manifestation of severe weather to storm dynamics and microphysics using multi -Doppler and polarimetric radar techniques. Therefore, the second half of this study will combine the lightning jump algorithm and these radar techniques in order to place the lightning jump concept into a physical and dynamical framework. This analysis includes examining such parameters as mixed phase precipitation volume, charging zone, updraft strength and updraft volume. Such a study should provide increased understanding of and confidence in the strengths and limitations of the lightning jump algorithm in the storm warning process.

Schultz, Christopher J.↗

DOE OSTI2021

L-H transition trigger physics in ITER-similar plasmas with applied n = 3 magnetic perturbations

The L–H transition power threshold PLH is observed to increase with applied n = 3 resonant magnetic perturbations (RMP) in ITER-similar-shape plasmas with balanced neutral beam torque injection in DIII-D. The increase is most pronounced with added electron–cyclotron heating: PLH increases with decreasing edge plasma collisionality as PLH/PLH-08 ~ (ν*)−0.5, where PLH-08 is the 2008 ITPA multi-machine power threshold scaling. This result raises concerns for H-mode access at low edge collisionality in ITER, where RMP may have to be applied before the L–H transition to safely suppress the first edge-localized mode. Non-axisymmetric modifications with RMP include a simultaneous reduction of the radial electric field (Er) well depth and E × B shear. This can be attributed to increasing edge toroidal co-current rotation, and is consistent with substantially increased local long-wavelength turbulence (measured via beam emission spectroscopy). At high RMP perturbation strength the edge electric field Er reverses sign locally (becomes positive), with changes in dominant turbulence modes. Edge magnetic stochasticity provides an attractive explanation of the observed modifications, and the observed changes in toroidal rotation and Er are consistent with a simple fluid model describing radial electron current flow along stochastic fieldlines. The observed collisionality dependence of the L-mode edge electric field with applied RMP is also qualitatively consistent with this model. Reflectometry data indicate a significant reduction of the normalized L-mode radial density gradient a/Ln at high RMP field with simultaneous increase in radial particle flux and electron thermal flux from power balance analysis. We conjecture that the increase of PLH with RMP results from the combined effects of reduced E × B flow shear (increasing turbulent transport levels) and toroidal/poloidal flow modulation due to edge stochasticity. Initial experiments indicate that non-resonant n = 3 magnetic perturbations lead only to relatively small changes in Er, E × B shear and fluctuation characteristics, and have less impact on the L–H transition power threshold. This motivates further exploration of the RMP spectrum dependence of PLH for possible mitigation of the observed threshold increase.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2011

The Solar Spectral Irradiance as a Function of the Mg II Index for Atmosphere and Climate Modelling

In this paper we present a new method to reconstruct the solar spectrum irradiance in the Ly alpha-400 nm region, and its variability, based on the Mg II index and neutron monitor. Measurements of the solar spectral irradiance available in the literature have been made with different instruments at different times and different spectral ranges. However, climate studies require harmonized data sets. This new approach has the advantage of being independent of the absolute calibration and aging of the instruments. First, the Mg II index is derived using solar spectra from Ly alpha (121 nm) to 410 nm measured from 1978 to 2010 by several space missions. The variability of the spectra with respect to a chosen reference spectrum as a function of time and wavelength is scaled to the derived Mg II index. The set of coefficients expressing the spectral variability can be applied to the chosen reference spectrum to reconstruct the solar spectra within a given time frame or Mg II index values. The accuracy of this method is estimated using two approaches: by direct comparison with particular cases where solar spectra are available from independent measurements, and by calculating the standard deviation between the measured spectra and their reconstruction. From direct comparisons with measurements we obtain an accuracy of about 1 to 2 %, which degrades towards Ly alpha. In a further step, we extend our solar spectral irradiance reconstruction back to the Maunder Minimum introducing the relationship between the Mg II index and the neutron monitor data. Consistent measurements of the Mg II index are not available prior to 1978. However, we observe that over the last three solar cycles, the Mg II index shows strong correlation with the modulation potential determined from the neutron monitor data. Assuming that this correlation can be applied to the past, we reconstruct the Mg II index from the modulation potential back to the Maunder Minimum, and obtain the corresponding solar spectral irradiance reconstruction back to that period. As there is no direct measurement of the spectral irradiance for this period we discuss this methodology in light of the other proposed approaches available in the literature. The use of the cosmogenic isotope data provides a major advantage: it provides information about the solar activity over several thousands years. Using technology of today we can calibrate the solar irradiance against the activity and thus reconstruct it for the times when cosmogenic isotope data are available. This calibration can be re-accessed at any time, if necessary.

Thuillier, Gerard↗

DOE OSTI2021

Technical note: AQMEII4 Activity 1: evaluation of wet and dry deposition schemes as an integral part of regional-scale air quality models

We present in this technical note the research protocol for phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4). This research initiative is divided into two activities, collectively having three goals: (i) to define the current state of the science with respect to representations of wet and especially dry deposition in regional models, (ii) to quantify the extent to which different dry deposition parameterizations influence retrospective air pollutant concentration and flux predictions, and (iii) to identify, through the use of a common set of detailed diagnostics, sensitivity simulations, model evaluation, and reduction of input uncertainty, the specific causes for the current range of these predictions. Activity 1 is dedicated to the diagnostic evaluation of wet and dry deposition processes in regional air quality models (described in this paper), and Activity 2 to the evaluation of dry deposition point models against ozone flux measurements at multiple towers with multiyear observations (to be described in future submissions as part of the special issue on AQMEII4). The scope of this paper is to present the scientific protocols for Activity 1, as well as to summarize the technical information associated with the different dry deposition approaches used by the participating research groups of AQMEII4. In addition to describing all common aspects and data used for this multi-model evaluation activity, most importantly, we present the strategy devised to allow a common process-level comparison of dry deposition obtained from models using sometimes very different dry deposition schemes. The strategy is based on adding detailed diagnostics to the algorithms used in the dry deposition modules of existing regional air quality models, in particular archiving diagnostics specific to land use–land cover (LULC) and creating standardized LULC categories to facilitate cross-comparison of LULC-specific dry deposition parameters and processes, as well as archiving effective conductance and effective flux as means for comparing the relative influence of different pathways towards the net or total dry deposition. This new approach, along with an analysis of precipitation and wet deposition fields, will provide an unprecedented process-oriented comparison of deposition in regional air quality models. Examples of how specific dry deposition schemes used in participating models have been reduced to the common set of comparable diagnostics defined for AQMEII4 are also presented.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2021

Technical Note: AQMEII4 Activity 1: Evaluation of Wet and Dry Deposition Schemes as an Integral Part of Regional-scale Air Quality Models

Air Quality Model Evaluation International Initiat↗

DOE OSTI2022

Accelerated Scaling to Rapid Open-Air Fabrication of Durable Perovskite Solar Modules

The goals of this SETO project (DE-EE0008559, Accelerated Scaling to Rapid Open-Air Fabrication of Durable Perovskite Solar modules) are to address the principal challenges towards the successful commercialization of perovskite solar modules utilizing scalable, high-throughput open-air spray deposition. The successful outcome of the project will provide the foundation of an all open-air spray deposited perovskite solar module with hole transport layer (HTL), perovskite, electron transport layer (ETL), and barrier layer development while establishing a fundamental understanding of perovskite device behavior under accelerated aging conditions. Through this program, we have made significant progress towards a commercializable pathway for perovskites. (1) We’ve demonstrated the successful open-air deposition of perovskite and transport layer materials. These deposition methods were chosen for their inherent scalability, and open-air processing enables a significant reduction in processing costs. These methods are also compatible with high throughputs, demonstrating the fastest perovskite film deposition at these performance levels. (2) Development of a unique all-fiber laser scribing procedure provides a high-performance, low-cost method for further improvements in scalability. (3) Our group has also placed a unique emphasis on device stability. The development of testing standards for perovskite modules is required to thoroughly evaluate potential candidates for commercialization, and we’ve taken inspiration from current industry standards to provide an honest insight into the performance and reliability of our devices. (4) An extensive cost model detailing the specific contributions of each device layer and production component provides the most thorough evaluation of any perovskite technology against conventional silicon and compound semiconductor solar devices. The cost model is a critical advancement that will provide the foundation for evaluating the levelized cost of energy (LCOE) of this technology.

14 SOLAR ENERGY↗

NASA NTRS2000

Mesosphere Dynamics with Gravity Wave Forcing: Diurnal and Semi-Diurnal Tides - 1

We present results from a nonlinear, 3D, time dependent numerical spectral model (NSM), which extends from the ground up into the thermosphere and incorporates Hines' Doppler Spread Parameterization for small-scale gravity waves (GW). Our focal point is the mesosphere that is dominated by wave interactions. We discuss diurnal and semi-diurnal tides ill the present paper (Part 1) and planetary waves in the companion paper (Part 2). To provide an understanding of the seasonal variations of tides, in particular with regard to gravity wave processes, numerical experiments are performed that lead to the following conclusions: 1. The large semiannual variations in tile diurnal tide (DT), with peak amplitudes observed around equinox, are produced primarily by GW interactions that involve, in part, planetary waves. 2. The DT, like planetary waves, tends to be amplified by GW momentum deposition, which reduces also the vertical wavelength. 3.Variations in eddy viscosity associated with GW interactions tend to peak in late spring and early fall and call also influence the DT. 4. The semidiurnal semidiurnal tide (SDT), and its phase in particular, is strongly influenced by the mean zonal circulation. 5. The SDT, individually, is amplified by GW's. But the DT filters out GW's such that the wave interaction effectively reduces the amplitude of the SDT, effectively producing a strong nonlinear interaction between the DT and SDT. 6.) Planetary waves generated internally by baroclinic instability and GW interaction produce large amplitude modulations of the DT and SDT.

Mayr, H. G.↗