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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

From Points to Planes: A Workflow for Converting Three‐Dimensional Point Cloud Data Into Discrete Fracture Network Flow and Transport Models

We present the Point cLoud Algorithm for NEtwork Extraction of Discrete Fracture Networks (PLANE-DFN), a point cloud–based algorithm for automatic fracture network extraction designed to support discrete fracture network (DFN) modeling workflows. PLANE-DFN segments three-dimensional fracture planes from raw point cloud data using RANdom SAmple Consensus coupled with statistical outlier removal and density-based clustering to isolate individual fracture features. Each candidate plane is constrained against site-specific structural constraints based on strike and dip. After segmentation, each fracture is converted into a 2-D convex polygon suitable for meshing and simulation. The PLANE-DFN algorithm is validated by comparing geometric and flow and transport data against data from dfnWorks simulations with ensembles of plane-fit networks. We find that the flow and transport in plane-fit networks are comparable to dfnWorks-generated networks when realistic network geometry is maintained. The PLANE-DFN algorithm provides an automated and streamlined workflow to transform point clouds of data into DFN network geometry.

54 ENVIRONMENTAL SCIENCES↗

Arctic sea-ice loss drives a strong regional atmospheric response over the North Pacific and North Atlantic on decadal scales

Previous studies have suggested that Arctic sea-ice loss can have a profound influence on atmospheric circulation far away from the Arctic. However, there is little scientific consensus on the features of these remote responses, with the opposite impacts reported. Here we present a multi-model analysis of the decadal climate response to Arctic sea-ice loss using state-of-the-art energy conserving methodologies to isolate the impacts of sea-ice decline. We observe weakening of the Aleutian Low and development of a geopotential ridge in the North Pacific, associated with drier winter conditions over the southwest United States. Over the Atlantic, a negative NAO-like response drives wetter winter conditions across the western Mediterranean. These decadal-scale impacts substantially differ from reported centennial-scale responses to Arctic sea-ice loss simulated using non-energy conserving methodologies. Factors such as the timescale of the response and methodologies used to isolate the impacts of disappearing sea-ice cover should be carefully considered when consolidating scientific understanding on the future impacts of changing Arctic.

54 ENVIRONMENTAL SCIENCES↗

A review on charged-particle transport modeling for laser direct-drive fusion

Inertial confinement fusion (ICF) with the laser-indirect-drive scheme has recently made a tremendous breakthrough recently after decades of intensive research effort. Taking this success to the next step, the ICF community is coming to a general consensus that laser direct-drive (LDD) fusion might be the viable way for enabling inertial fusion energy (IFE) and high-gain targets for other applications. Designing and understanding LDD fusion targets heavily rely on radiation-hydrodynamic code simulations, in which charged-particle transport plays an essential role in modeling laser-target energy coupling and bootstrap heating of fusion-produced α-particles. To better simulate charged-particle transport in LDD targets, over the past four decades the plasma physics community has advanced transport calculations from simple plasma physics models to sophisticated computations based on first-principles methods. In this review, we give an overview of the current status of charged-particle transport modeling for LDD fusion, including what challenges we still face and the possible paths moving forward to advance transport modeling for ICF simulations. We hope this review will provide a summary of exciting challenges to stimulate young minds to enter the field, facilitate further progress in understanding warm-dense matter physics, and ultimately bridge toward the success of reliable LDD fusion designs for IFE and other high-gain ICF applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

System efficiency and power assessment of the all-aqueous copper thermally regenerative ammonia battery

Thermally regenerative ammonia batteries (TRABs) use low-temperature (T < 100 °C) heat to provide stationary energy and power with higher power densities and efficiency relative to other waste heat devices. TRABs are an active area of research in waste heat devices, but currently there is little consensus on what aspect of the system is limiting TRAB performance and what maximum efficiencies are possible. Experiments and numerical models were used here to examine the sensitivity of the battery and distillation column in a TRAB system to key operating variables, thereby establishing practical limits and identifying focus areas for improving performance. Battery power was eight times more sensitive to ohmic losses than kinetic and mass transfer losses, regardless of the operating temperature, and the peak power density was simulated to be 18.8 mW cm –2 at 75 °C. Theoretical energy efficiency limits were defined for a series of ammonia concentrations and operating pressures, ranging from 5 – 12%, which is 2–3 times higher than previous experimental estimations. Atmospheric pressure column operation used a larger amount of waste heat compared to sub-atmospheric pressure. It is estimated that the volume of the battery would take up 9.2m 3 for every 1% of the power output of a natural gas turbine, but with realistic improvements to cell conductivity, the size would reduce to 2.5 m 3 . Finally, the results presented in this work will help streamline future development by focusing on minimizing ohmic losses and provide specific data for full system evaluation of future TRABs.

25 ENERGY STORAGE↗

Environmental controls on the light use efficiency of terrestrial gross primary production

Abstract Gross primary production (GPP) by terrestrial ecosystems is a key quantity in the global carbon cycle. The instantaneous controls of leaf‐level photosynthesis are well established, but there is still no consensus on the mechanisms by which canopy‐level GPP depends on spatial and temporal variation in the environment. The standard model of photosynthesis provides a robust mechanistic representation for C 3 species; however, additional assumptions are required to “scale up” from leaf to canopy. As a consequence, competing models make inconsistent predictions about how GPP will respond to continuing environmental change. This problem is addressed here by means of an empirical analysis of the light use efficiency (LUE) of GPP inferred from eddy covariance carbon dioxide flux measurements, in situ measurements of photosynthetically active radiation (PAR), and remotely sensed estimates of the fraction of PAR (fAPAR) absorbed by the vegetation canopy. Focusing on LUE allows potential drivers of GPP to be separated from its overriding dependence on light. GPP data from over 100 sites, collated over 20 years and located in a range of biomes and climate zones, were extracted from the FLUXNET2015 database and combined with remotely sensed fAPAR data to estimate daily LUE. Daytime air temperature, vapor pressure deficit, diffuse fraction of solar radiation, and soil moisture were shown to be salient predictors of LUE in a generalized linear mixed‐effects model. The same model design was fitted to site‐based LUE estimates generated by 16 terrestrial ecosystem models. The published models showed wide variation in the shape, the strength, and even the sign of the environmental effects on modeled LUE. These findings highlight important model deficiencies and suggest a need to progress beyond simple “goodness of fit” comparisons of inferred and predicted carbon fluxes toward an approach focused on the functional responses of the underlying dependencies.

54 ENVIRONMENTAL SCIENCES↗

GANpiler

Focal Area(s): Rather than augment or replace physical models with machine learning, we instead preserve the existing models and augment the underlying code with faster surrogate models created by generative adversarial networks (GAN). To leverage the performance optimization, we also propose a runtime system and user interfaces that allow prediction and tracking of accumulated error as well as dynamic, per-process decision making as to which model (if any) to use for each iteration. Science Challenge: This proposal sits at the nexus of two hard problems. First, climate models based on machine learning will be, by their nature, difficult to trust once their predictions begin diverging from the consensus. Second, compilers and hardware have been making only incremental performance gains for decades. GPGPUs have provided a welcome performance boost for codes that can take advantage of them, but there is no similar technology on the horizon to provide the next performance leap.

54 ENVIRONMENTAL SCIENCES↗

Binding profiles for 961 Drosophila and C. elegans transcription factors reveal tissue-specific regulatory relationships

A catalog of transcription factor (TF) binding sites in the genome is critical for deciphering regulatory relationships. Here, we present the culmination of the efforts of the modENCODE (model organism Encyclopedia of DNA Elements) and modERN (model organism Encyclopedia of Regulatory Networks) consortia to systematically assay TF binding events in vivo in two major model organisms,Drosophila melanogaster(fly) andCaenorhabditis elegans(worm). These data sets comprise 605 TFs identifying 3.6 M sites in the fly and 356 TFs identifying 0.9 M sites in the worm, and represent the majority of the regulatory space in each genome. We demonstrate that TFs associate with chromatin in clusters termed “metapeaks,” that larger metapeaks have characteristics of high-occupancy target (HOT) regions, and that the importance of consensus sequence motifs bound by TFs depends on metapeak size and complexity. Combining ChIP-seq data with single-cell RNA-seq data in a machine-learning model identifies TFs with a prominent role in promoting target gene expression in specific cell types, even differentiating between parent–daughter cells during embryogenesis. These data are a rich resource for the community that should fuel and guide future investigations into TF function. To facilitate data accessibility and utility, all strains expressing green fluorescent protein (GFP)-tagged TFs are available at the stock centers for each organism. The chromatin immunoprecipitation sequencing data are available through the ENCODE Data Coordinating Center, GEO, and through a direct interface that provides rapid access to processed data sets and summary analyses, as well as widgets to probe the cell-type-specific TF–target relationships.

Biochemistry & Molecular Biology↗

Physical science research needed to evaluate the viability and risks of marine cloud brightening

Marine cloud brightening (MCB) is the deliberate injection of aerosol particles into shallow marine clouds to increase their reflection of solar radiation and reduce the amount of energy absorbed by the climate system. From the physical science perspective, the consensus of a broad international group of scientists is that the viability of MCB will ultimately depend on whether observations and models can robustly assess the scale-up of local-to-global brightening in today’s climate and identify strategies that will ensure an equitable geographical distribution of the benefits and risks associated with projected regional changes in temperature and precipitation. To address the physical science knowledge gaps required to assess the societal implications of MCB, we propose a substantial and targeted program of research—field and laboratory experiments, monitoring, and numerical modeling across a range of scales.

54 ENVIRONMENTAL SCIENCES↗

A Bayesian and HRA-Aided Method for the Novel Reliability Analysis of Software

Technological advancements and nuclear power plant modernization has inspired considerable research in the areas of safety and reliability, yet there remains a lack of consensus for the reliability assessment of digital instrumentation and control (I&C) systems. Motivated by the lack of consensus for reliability analysis methods, this work employs a novel framework that incorporates Bayesian, human reliability, and common-cause failure (CCF) modeling techniques. The novel framework allows the use of state-of-the-art or classical modeling techniques when accounting for human and CCF effects on system reliability. The Bayesian and HRA-Aided Method for the Reliability Analysis of Software (BAHAMAS) is demonstrated by a case study for the quantification of software hazards found in a previous analysis of a digital reactor trip system. The results demonstrate the ability of BAHAMAS to account for human activities during the software development life cycle and their influence on software reliability. BAHAMAS is a flexible tool for extending the coverage of conventional probabilistic risk assessments to include modernized digital I&C systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mapping Current Collection in Cross Section: The Case of Copper-Doped CdTe Solar Cells

For decades, copper has been used to improve the performance of cadmium telluride thin film solar cells. However, it has also been shown to be the main cause of metastability in CdTe. Recently a low activation energy has been reported for the thermal diffusion of Cu in CdTe explaining the ease of motion that it has under moderate temperatures. The community consensus is that copper segregates to the absorber grain boundaries, where it's either beneficial or detrimental to device performance depending on its concentration. Using nanoscale X-ray micrsocopy and a two-dimensional drift-diffusion model we present a preliminary correlation between local copper distribution and electrical performance of a single-junction CdTe/CdS solar cell.

CdTe↗

Future grid mix impacts on whole-building life cycle assessment

Building construction and operation are a significant contribution to global greenhouse gas emissions, so understanding and mitigating emissions is crucial for reliable and realistic emissions accounting. Whole-building Life Cycle Assessment (WBLCA) is an emissions accounting method that considers lifetime environmental impacts of a building during its construction, operation, and eventual end-of-life. When performing WBLCAs, emission calculations from the building's operation over the entire building lifespan are typically based on today's energy grid mixes. This method does not consider changes or advancements in the clean energy proportion within the grid mix and can over or under-inflate results, skewing the ratio of embodied vs. operational environmental impacts. While a variety of prediction tools estimate what future grid emissions might be, predictions can vary widely. To predict the clean energy ratio within future grid mixes and the potential impact these changes might have on WBLCA, annual data from several existing U.S. grid models was averaged and probabilistic modeling was used to extend the usable projections of shorter forecasts. Results show that clean energy sources will likely continue to increase over time, although the rate of growth varies by model. On average, by 2085, the clean energy penetration of the grid is projected to reach ~81% and renewable energy is projected to reach ~71%, although no widespread consensus is reached. To understand how the future grid mix impacts lifetime building emissions within a WBLCA context, the team analyzed two 2021 IECC-compliant all-electric residential buildings: one built from traditional materials and construction processes and the other built with carbon sequestering materials and modular assembly, with a portion of energy generated on site. The results indicate that a moderate estimate of future electricity grid mixes shows a reduction of yearly operational emissions for traditional residential buildings of 55% between 2025 and 2085, and a corresponding reduction of 48% of total emissions over a 60 year building lifespan. This study offers a nuanced approach to account for the variability of future grid mix models and provides an average trend-line based on a robust collection of scenarios.

Life Cycle Assessment (LCA)↗

Regional climate change: consensus, discrepancies, and ways forward

Climate change has emerged across many regions. Some observed regional climate changes, such as amplified Arctic warming and land-sea warming contrasts have been predicted by climate models. However, many other observed regional changes, such as changes in tropical sea surface temperature and monsoon rainfall are not well simulated by climate model ensembles even when taking into account natural internal variability and structural uncertainties in the response of models to anthropogenic radiative forcing. This suggests climate model predictions may not fully reflect what our future will look like. The discrepancies between models and observations are not well understood due to several real and apparent puzzles and limitations such as the “signal-to-noise paradox” and real-world record-shattering extremes falling outside of the possible range predicted by models. Addressing these discrepancies, puzzles and limitations is essential, because understanding and reliably predicting regional climate change is necessary in order to communicate effectively about the underlying drivers of change, provide reliable information to stakeholders, enable societies to adapt, and increase resilience and reduce vulnerability. The challenges of achieving this are greater in the Global South, especially because of the lack of observational data over long time periods and a lack of scientific focus on Global South climate change. To address discrepancies between observations and models, it is important to prioritize resources for understanding regional climate predictions and analyzing where and why models and observations disagree via testing hypotheses of drivers of biases using observations and models. Gaps in understanding can be discovered and filled by exploiting new tools, such as artificial intelligence/machine learning, high-resolution models, new modeling experiments in the model hierarchy, better quantification of forcing, and new observations. Conscious efforts are needed toward creating opportunities that allow regional experts, particularly those from the Global South, to take the lead in regional climate research. This includes co-learning in technical aspects of analyzing simulations and in the physics and dynamics of regional climate change. Finally, improved methods of regional climate communication are needed, which account for the underlying uncertainties, in order to provide reliable and actionable information to stakeholders and the media.

54 ENVIRONMENTAL SCIENCES↗

Community recommendations on cryoEM data archiving and validation

In January 2020, a workshop was held at EMBL-EBI (Hinxton, UK) to discuss data requirements for the deposition and validation of cryoEM structures, with a focus on single-particle analysis. The meeting was attended by 47 experts in data processing, model building and refinement, validation, and archiving of such structures. This report describes the workshop's motivation and history, the topics discussed, and the resulting consensus recommendations. Some challenges for future methods-development efforts in this area are also highlighted, as is the implementation to date of some of the recommendations.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Predicted Impacts of Pt and Ionomer Distributions on Low-Pt-Loaded PEMFC Performance

Low-cost, high performance proton exchange membrane fuel cells (PEMFCs) have been difficult to develop due to limited understanding of coupled processes in the cathode catalyst layer (CCL). Low-Pt-loaded PEMFCs suffer losses beyond those predicted solely due to reduced catalyst area. Although consensus links these losses to thin ionomer films in the CCL, a precise mechanistic explanation remains elusive. In this publication, we present a physically based PEMFC model with novel structure-property relationships for thin-film Nafion, validated against PEMFC data with low Pt loading. Results suggest that flooding exacerbates kinetic limitations in low-loaded PEMFCs, shifting the Faradaic current distribution. As current density increases, protons travel further into the CCL, resulting in higher Ohmic overpotentials. We also present a parametric study of CCL design parameters. We find that graded Pt and ionomer loadings reduce Ohmic losses and flooding, but individually do not provide significant improvements. However, a dual-graded CCL (i.e., graded Pt and ionomer) is predicted to significantly improve the maximum power density and limiting current compared to uniformly loaded CCLs. This work highlights the importance of accurate transport parameters for thin-film Nafion and provides a pathway to low-cost PEMFCs via precise control of CCL microstructures.

08 HYDROGEN↗

The Completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: measurement of the BAO and growth rate of structure of the emission line galaxy sample from the anisotropic power spectrum between redshift 0.6 and 1.1

We analyse the large-scale clustering in Fourier space of emission line galaxies (ELG) from the Data Release 16 of the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey. The ELG sample contains 173,736 galaxies covering 1,170 square degrees in the redshift range 0.6 < z < 1.1. We perform a BAO measurement from the post-reconstruction power spectrum monopole, and study redshift space distortions (RSD) in the first three even multipoles. Furthermore, photometric variations yield fluctuations of both the angular and radial survey selection functions. Those are directly inferred from data, imposing integral constraints which we model consistently. The full data set has only a weak preference for a BAO feature (1.4σ). At the effective redshift zeff = 0.845 we measure $D_{\rm V}(z_{\rm eff})/r_{\rm drag} = 18.33_{-0.62}^{+0.57}$, with DV the volume-averaged distance and rdrag the comoving sound horizon at the drag epoch. In combination with the RSD measurement, at zeff = 0.85 we find $f\sigma _8(z_{\rm eff}) = 0.289_{-0.096}^{+0.085}$, with f the growth rate of structure and σ8 the normalisation of the linear power spectrum, $D_{\rm H}(z_{\rm eff})/r_{\rm drag} = 20.0_{-2.2}^{+2.4}$ and DM(zeff)/rdrag = 19.17 ± 0.99 with DH and DM the Hubble and comoving angular distances, respectively. These results are in agreement with those obtained in configuration space, thus allowing a consensus measurement of fσ8(zeff) = 0.315 ± 0.095, $D_{\rm H}(z_{\rm eff})/r_{\rm drag} = 19.6_{-2.1}^{+2.2}$ and DM(zeff)/rdrag = 19.5 ± 1.0. This measurement is consistent with a flat ΛCDM model with Planck parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

Estimating the Likelihood of GHG Concentration Scenarios From Probabilistic Integrated Assessment Model Simulations

The climate scenarios that form the basis for current climate risk assessments have no assigned probabilities, and this impedes the analysis of future climate risks. This paper proposes an approach to estimate the probability of carbon dioxide (CO 2 ) concentration scenarios used in key climate change modeling experiments. It computes the CO 2 emissions compatible with the concentrations prescribed by Coupled Model Intercomparison Project Phase 5 (CMIP5) and CMIP6 experiments. The distribution of these compatible cumulative emissions is interpreted as the likelihood of future emissions given a concentration pathway. Using Bayesian analysis, the probability of each pathway can be estimated from a probabilistic sample of future emissions. The approach is demonstrated with five probabilistic CO 2 emission simulation ensembles from four Integrated Assessment Models (IAM), leading to independent estimates of the likelihood of the CO 2 concentration of Representative Concentration Pathways (RCP) and Shared Socioeconomic Pathways (SSP). Results suggest that SSP5-8.5 is unlikely for the second half of the 21st century, but offer no clear consensus on which of the remaining scenarios is most likely. Estimates of likelihoods of CO 2 concentrations associated with RCP and SSP scenarios are affected by sampling errors, differences in emission sources simulated by the IAMs, and a lack of a common experimental framework for IAM simulations. These shortcomings, along with a small IAM ensemble size, limit the applicability of the results presented here. Novel joint IAM and the Earth System Model experiments are needed to deliver actionable probabilistic climate risk assessments.

54 ENVIRONMENTAL SCIENCES↗

The DECOVALEX international collaboration on modeling of coupled subsurface processes and its contribution to confidence building in radioactive waste disposal

Abstract The long-lived radiotoxicity of the high-level radioactive waste generated by nuclear power plants requires safe isolation from the biosphere for many hundreds of thousands of years. An international consensus has emerged that such isolation can best be provided by disposal in mined geologic repositories, a strategy that today is pursued by most countries dealing with radioactive waste. However, the need to predict the performance of such repositories over very long time periods generates large uncertainties that have to be accounted for in safety assessments. The findings from such safety assessments need to be conveyed to all stakeholders in a clear way, such that public confidence in geologic disposal solutions can be achieved. It is suggested here that close international collaboration on the technical aspects of geologic waste disposal has helped, and will continue to help, building trust and increasing confidence. This paper discusses a particular international collaboration initiative referred to as DECOVALEX, which brings together multiple teams and disciplines to collectively tackle complex experimental and modeling challenges related to geologic disposal. By describing how DECOVALEX works and by providing joint research examples, a case is made that such international collaboration contributes to knowledge transfer and confidence building in radioactive waste disposal science.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗