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At least 829 records · Page 46

Acidification in the U.S. Southeast: Causes, Potential Consequences and the Role of the Southeast Ocean and Coastal Acidification Network

Coastal acidification in southeastern U.S. estuaries and coastal waters is influenced by biological activity, run-off from the land, and increasing carbon dioxide in the atmosphere. Acidification can negatively impact coastal resources such as shellfish, finfish, and coral reefs, and the communities that rely on them. Organismal responses for species located in the U.S. Southeast document large negative impacts of acidification, especially in larval stages. For example, the toxicity of pesticides increases under acidified conditions and the combination of acidification and low oxygen has profoundly negative influences on genes regulating oxygen consumption. In corals, the rate of calcification decreases with acidification and processes such as wound recovery, reproduction, and recruitment are negatively impacted. Minimizing the changes in global ocean chemistry will ultimately depend on the reduction of carbon dioxide emissions, but adaptation to these changes and mitigation of the local stressors that exacerbate global acidification can be addressed locally. The evolution of our knowledge of acidification, from basic understanding of the problem to the emergence of applied research and monitoring, has been facilitated by the development of regional Coastal Acidification Networks (CANs) across the United States. This synthesis is a product of the Southeast Coastal and Ocean Acidification Network (SOCAN). SOCAN was established to better understand acidification in the coastal waters of the U.S. Southeast and to foster communication among scientists, resource managers, businesses, and governments in the region. Here we review acidification issues in the U.S. Southeast, including the regional mechanisms of acidification and their potential impacts on biological resources and coastal communities. We recommend research and monitoring priorities and discuss the role SOCAN has in advancing acidification research and mitigation of and adaptation to these changes.

54 ENVIRONMENTAL SCIENCES↗

Polymorphism and Negative Linear Compressibility in Pyrazine-d4

Pyrazine (1,4-diazine) is a widely used linker in coordination polymers, molecular magnets, and metal–organic frameworks, yet its solid-state polymorphism is controlled by weak C–H···N interactions. Using variable-temperature and high-pressure neutron diffraction, a previously unrecognized low-temperature transition to phase IV is identified, showing that the form stabilized under pressure can also be accessed below ∼90 K at ambient pressure in the perdeuterated compound. The transition from phase III → IV involves a symmetry-breaking lattice distortion driven by the reorganization of C–H···N hydrogen bonds, accompanied by negative linear compressibility, which is primarily accommodated through the reduction in void-space within the structure. Structural analysis reveals that while the overall monoclinic framework of phase IV is preserved under both temperature and pressure routes, the evolution of hydrogen-bonded network is distinct depending on the pathway taken. These results establish pyrazine as a model molecular solid for studying pressure–temperature polymorphism and demonstrate how weak directional interactions can produce anomalous mechanical responses in organic crystals.

Ridley, Christopher J. [Oak Ridge National Laborat↗

Reactive molecular dynamics simulations of an excess proton in polyethylene glycol-water solutions

We investigate the effects of both triethylene glycol (TEG) and polyethylene glycol (PEG) on the structure and transport of an excess proton (H + ) in aqueous solution. A new reactive force field (ReaxFF) parameterisation is carried out to better describe proton transfer of H + with PEG polymers in aqueous solution via training against density functional theory (DFT) calculations. Using this ReaxFF parameterisation, reactive molecular dynamics simulations are carried out for three different systems containing H + : bulk water, aqueous TEG, and aqueous PEG with a single, oriented polymer chain. The H + diffusivity is suppressed due to the presence of TEG and enhanced in the oriented chain PEG system, particularly along the axis parallel to the PEG chain, relative to bulk water. The enhancement in proton mobility along the chain axis is mainly due to the structural, rather than vehicular, component. From free energy calculations for H + transfer, the increase in proton mobility is not due to a reduction in activation energy. Finally, from pair distribution function analysis of the local structure for water and hydronium we hypothesise the increased mobility is due to an entropic effect, specifically a favourable hydrogen bond network for long range proton transport due to the oriented PEG chain.

36 MATERIALS SCIENCE↗

Stochastic DG Placement for Conservation Voltage Reduction Based on Multiple Replications Procedure

Conservation voltage reduction (CVR) and distributed-generation (DG) integration are popular strategies implemented by utilities to improve energy efficiency. This paper investigates the interactions between CVR and DG placement to minimize load consumption in distribution networks, while keeping the lowest voltage level within the predefined range. The optimal placement of DG units is formulated as a stochastic optimization problem considering the uncertainty of DG outputs and load consumptions. A sample average approximation algorithm-based technique is developed to solve the formulated problem effectively. A multiple replications procedure is developed to test the stability of the solution and calculate the confidence interval of the gap between the candidate solution and optimal solution. The proposed method has been applied to the IEEE 37-bus distribution test system with different scenarios. The numerical results indicate that the implementations of CVR and DG, if combined, can achieve significant energy savings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Spurious regulatory connections dictate the expression-fitness landscape of translation factors

During steady-state cell growth, individual enzymatic fluxes can be directly inferred from growth rate by mass conservation, but the inverse problem remains unsolved. Perturbing the flux and expression of a single enzyme could have pleiotropic effects that may or may not dominate the impact on cell fitness. Here, we quantitatively dissect the molecular and global responses to varied expression of translation termination factors (peptide release factors, RFs) in the bacterium Bacillus subtilis. While endogenous RF expression maximizes proliferation, deviations in expression lead to unexpected distal regulatory responses that dictate fitness reduction. Molecularly, RF depletion causes expression imbalance at specific operons, which activates master regulators and detrimentally overrides the transcriptome. Through these spurious connections, RF abundances are thus entrenched by focal points within the regulatory network, in one case located at a single stop codon. Such regulatory entrenchment suggests that predictive bottom-up models of expression-fitness landscapes will require near-exhaustive characterization of parts.

59 BASIC BIOLOGICAL SCIENCES↗

Plug Load Management System Field Study

In 2018, NREL performed a demonstration of the IBIS InteliNetwork(TM) plug load management system, which includes: intelligent socket devices, which plug into existing electrical outlets and collect energy usage information; a gateway, which manages communication between the intelligent sockets and the PLM cloud service; and a PLM network, which is a cloud-based measurement and control network for the entire system. Two retail stores served as the field study sites. The PLM system was found to be effective at reducing plug load energy use, with a projected annual plug load reduction of 11% and 18% at the test locations. Retail staff reported that the hardware was easy to use, but no one used the online data management system, intended to analyze and control the hardware. This PLM solution shows promise as an effective means to monitor, control, and reduce plug load energy use, but the economics of the system need to be improved.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Prototype microprocessor controller

A microcomputer controller for STDN antennas was developed. The microcomputer technology reduces the system's physical size by the implementation in firmware of functions. The reduction in the number of components increases system reliability and similar benefit is derived when a graphic video display is substituted for several control and indicator panels. A substantial reduction in the number of cables, connectors, and mechanical switches is achieved. The microcomputer based system is programmed to perform calibration and diagnostics, to update the satellite orbital vector, and to communicate with other network systems. The design is applicable to antennas and lasers.

Zarur, J.↗

Hypersonic airbreathing vehicle conceptual design (focus on aero-space plane)

The airbreathing single stage to orbit (SSTO) vehicle design environment is variable-rich, intricately networked and sensitivity intensive. As such, it represents a tremondous technology challenge. Creating a viable design will require sophisticated configuration/synthesis and the synergistic integration of advanced technologies across the discipline spectrum. In design exercises, reductions in the fuel weight-fraction requirements projected for an orbital vehicle concept can result from improvements in aerodynamics/controls, propulsion efficiencies and trajectory optimization; also, gains in the fuel weight-fraction achievable for such a concept can result from improvements in structural design, heat management techniques, and material properties. As these technology advances take place, closure on a viable vehicle design will be realizable.

Hunt, James L.↗

Electronic photography at NASA Langley Research Center

The field of photography began a metamorphosis several years ago which promises to fundamentally change how images are captured, transmitted, and output. At this time the metamorphosis is still in the early stages, but already new processes, hardware, and software are allowing many individuals and organizations to explore the entry of imaging into the information revolution. Exploration at this time is prerequisite to leading expertise in the future, and a number of branches at LaRC have ventured into electronic and digital imaging. Their progress until recently has been limited by two factors: the lack of an integrated approach and the lack of an electronic photographic capability. The purpose of the research conducted was to address these two items. In some respects, the lack of electronic photographs has prevented application of an integrated imaging approach. Since everything could not be electronic, the tendency was to work with hard copy. Over the summer, the Photographics Section has set up an Electronic Photography Laboratory. This laboratory now has the capability to scan film images, process the images, and output the images in a variety of forms. Future plans also include electronic capture capability. The current forms of image processing available include sharpening, noise reduction, dust removal, tone correction, color balancing, image editing, cropping, electronic separations, and halftoning. Output choices include customer specified electronic file formats which can be output on magnetic or optical disks or over the network, 4400 line photographic quality prints and transparencies to 8.5 by 11 inches, and 8000 line film negatives and transparencies to 4 by 5 inches. The problem of integrated imaging involves a number of branches at LaRC including Visual Imaging, Research Printing and Publishing, Data Visualization and Animation, Advanced Computing, and various research groups. These units must work together to develop common approaches to image processing and archiving. The ultimate goal is to be able to search for images using an on-line database and image catalog. These images could then be retrieved over the network as needed, along with information on the acquisition and processing prior to storage. For this goal to be realized, a number of standard processing protocols must be developed to allow the classification of images into categories. Standard series of processing algorithms can then be applied to each category (although many of these may be adaptive between images). Since the archived image files would be standardized, it should also be possible to develop standard output processing protocols for a number of output devices. If LaRC continues the research effort begun this summer, it may be one of the first organizations to develop an integrated approach to imaging. As such, it could serve as a model for other organizations in government and the private sector.

Holm, Jack M.↗

Ultra Low Power, Radiation Tolerant UHF Radio Technologies for In Situ Communication Applications

For future deep space missions, significant reductions in the mass and power requirements for short-range telecommunication systems will be critical in enabling a wide variety of new mission concepts. These possibilities include penetrators, gliders, miniature rovers, and sensor networks. Under joint funding from NASA's Cross Enterprise and JPL's Telecommunications and Mission technology programs, recent development activity has focused on the design of ultralow mass and power transceiver systems and subsystems suitable for operation in a flight environment. For these efforts, the functionality of the transceiver has been targeted towards a specific Mars communications scenario. However, the overall architecture is well suited to any short or medium range application where a remote probe will aperiodically communicate with a base station, possibly an orbiter, for the eventual purpose of relaying science information back to Earth. In 2001, these sponsors have been augmented with collaborative expertise and funding from JPL's Center for Integrated Space Microsystems in order to migrate existing concepts and designs to a System on a Chip (SOAC) solution. Additional information is contained in the original extended abstract.

Lay, N. E.↗

Data Descriptor: A Land Data Assimilation System for Sub-Saharan Africa Food and Water Security Applications

Seasonal agricultural drought monitoring systems, which rely on satellite remote sensing and land surface models (LSMs), are important for disaster risk reduction and famine early warning. These systems require the best available weather inputs, as well as a long-term historical record to contextualize current observations. This article introduces the Famine Early Warning Systems Network (FEWS NET) Land Data Assimilation System (FLDAS), a custom instance of the NASA Land Information System (LIS) framework. The FLDAS is routinely used to produce multi-model and multi-forcing estimates of hydro-climate states and fluxes over semi-arid, food insecure regions of Africa. These modeled data and derived products, like soil moisture percentiles and water availability, were designed and are currently used to complement FEWSNETs operational remotely sensed rainfall, evapotranspiration, and vegetation observations. The 30+ years of monthly outputs from the FLDAS simulations are publicly available from the NASA Goddard Earth Science Data and Information Services Center (GES DISC) and recommended for use in hydroclimate studies, early warning applications, and by agro-meteorological scientists in Eastern, Southern, and Western Africa.

albedo↗

Reduce-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which usually consists of a database of tabulated values, used to calculate the cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of micro cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. To address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multi-group cross section data across isotopes, reaction types and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs for have been trained for all isotopes in this work and systematic Griffin testing is ongoing at this moment to ensure the feasibility of this ROM technique for cross section predictions.

42 - ENGINEERING↗

Reduced-Order Modeling of Multigroup Neutron Cross Sections for High-Temperature Gas-cooled Reactors

Abstract – Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which consist of databases of tabulated values, used to calculate the neutron cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of microscopic cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. In order to address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multigroup cross section data across isotopes, reaction types, and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs have been trained for all isotopes in this work and systematic Griffin testing is ongoing to ensure the feasibility of this ROM technique for predicting cross section and reducing memory requirements without a significant sacrifice in computational performance.

42 - ENGINEERING↗

Advanced Cross Section Library Generation using Reduced Order Models

Deterministic neutronics calculations rely on multigroup neutron cross section libraries, which consist of databases of tabulated values, used to calculate the neutron cross sections through multivariate linear interpolation. However, interpolation of the multidimensional cross section data becomes memory inefficient and time consuming as the number of tabulations increases, significantly slowing down the neutronics calculation, especially in the case of microscopic cross section libraries where every isotope (on the order of hundreds) has its own set of specific reactions and cross sections. In order to address this challenge, this work constructs efficient and robust reduced-order models (ROMs) of the multi-group cross sections to support the Griffin simulation of high-temperature gas-cooled reactors (HTGRs). The first part of the study investigates the linearity of the multigroup cross section data across isotopes, reaction types, and energy groups on pre-generated datasets for the purpose of dimensionality reduction. Secondly, a down-selection of ROM techniques is presented on representative classical machine learning (ML) techniques, including variants of linear regression, kernel-based methods, tree-based algorithms, and artificial neural networks. The selection criteria jointly consider the memory efficiency, predictive accuracy, prediction speed, and scalability in comparison to the multidimensional interpolation. Among all the ML techniques, deep neural networks (DNNs) have proven to be the best selection with sufficient accuracy, high robustness, good memory efficiency, great scalability, and superior flexibility. DNNs have been trained for all isotopes in this work and systematic Griffin testing is ongoing to ensure the feasibility of this ROM technique for predicting cross section and reducing memory requirements without a significant sacrifice in computational performance.

42 - ENGINEERING↗

Variance Decomposition of MEDLI2 Reconstructed Heating Using Neural Networks

The Mars Entry, Descent, and Landing Instrumentation (MEDLI2) sensor suite collected data during entry of the Mars 2020 Perseverance rover into Mars’ atmosphere. This suite included a network of MEDLI2 Instrumented Sensor Plugs (MISPs). Each MISP was comprised of a cylinder made of Thermal Protection System (TPS) material with 1-3 embedded thermocouples (TCs), and it was flush mounted into the heatshield or backshell. Data from these in-depth TCs were used to reconstruct the aeroheating environment of the vehicle throughout entry. Surface heating was posed as an inverse problem, with the goal of estimating the surface heating by minimizing an objective function of the difference between MISP temperature measurements during flight and the temperature predictions derived from the Fully Implicit Ablation and Thermal response (FIAT) program. Given an aerothermal environment, FIAT calculates the material response and provides in-depth temperatures throughout the TPS material. To achieve the reverse, an internal tool called FIAT_Opt runs through multiple different environments until the output temperature at the TC depth closely matches the flight data. 95% confidence intervals on the reconstructed surface heating were obtained using Monte Carlo analysis, in which uncertainties in the thermocouple depth and the TPS material properties (e.g., density, thermal conductivity, heat capacity, emissivity) based on flight-lot material testing were included. A variance decomposition method using Sobol indices was employed to assess the sensitivity of the reconstructed peak heating to the TC placement and material property uncertainties. Variance decomposition was found to require tens of thousands of FIAT_Opt runs in order for the Sobol indices to converge. With a single FIAT_Opt run taking on the order of 40 minutes, the required number of computations would take months to complete, even if using multiple CPUs. To mitigate this problem, three machine learning models (ridge regression with cross-validation, random forest regression, and a deep neural network) were trained and tested using the 2000 Monte Carlo runs that were already completed. A subset of 1600 runs were used to train the model (i.e., training set), while the remaining 400 runs were used as the test set. The predictions from the deep neural network (DNN) on the test set showed nearly perfect agreement to the actual values computed with FIAT_Opt (R2 > 0.99). Using the DNN as a surrogate model, the variance decomposition using 50,000 runs was completed within minutes. The resulting Sobol indices showed that the reconstructed peak surface heating was most sensitive to the uncertainties in the thermal conductivity (ST = 0.37) and heat capacity (ST = 0.26). This method can be leveraged to provide requirements for material property measurements needed to improve the accuracy of surface heating prediction and ultimately lead to the reduction of design margins in the future. This presentation will include background on the MEDLI2 suite; the method used for inverse heating estimation; the way that material property uncertainties were accounted for using Monte Carlo analysis; a brief background on variance decomposition; the motivation for using machine learning in this context; how a neural network was trained on the data to enable variance decomposition in a fraction of the time; and the variance decomposition results for one of the MISPs.

Hannah Alpert↗

A survey of unsupervised learning methods for high-dimensional uncertainty quantification in black-box-type problems

Constructing surrogate models for uncertainty quantification (UQ) on complex partial differential equations (PDEs) having inherently high-dimensional O(10 n ), n ≥ 2, stochastic inputs (e.g., forcing terms, boundary conditions, initial conditions) poses tremendous challenges. The “curse of dimensionality” can be addressed with suitable unsupervised learning techniques used as a pre-processing tool to encode inputs onto lower-dimensional subspaces while retaining its structural information and meaningful properties. In this work, we review and investigate thirteen dimension reduction methods including linear and nonlinear, spectral, blind source separation, convex and non-convex methods and utilize the resulting embeddings to construct a mapping to quantities of interest via polynomial chaos expansions (PCE). Here, we refer to the general proposed approach as manifold PCE (m-PCE), where manifold corresponds to the latent space resulting from any of the studied dimension reduction methods. To investigate the capabilities and limitations of these methods we conduct numerical tests for three physics-based systems (treated as black-boxes) having high-dimensional stochastic inputs of varying complexity modeled as both Gaussian and non-Gaussian random fields to investigate the effect of the intrinsic dimensionality of input data. We demonstrate both the advantages and limitations of the unsupervised learning methods and we conclude that a suitable m-PCE model provides a cost-effective approach compared to alternative algorithms proposed in the literature, including recently proposed expensive deep neural network-based surrogates and can be readily applied for high-dimensional UQ in stochastic PDEs.

42 ENGINEERING↗

Atmospheric Delay Reduction Using KARAT for GPS Analysis and Implications for VLBI

We have been developing a state-of-the-art tool to estimate the atmospheric path delays by raytracing through mesoscale analysis (MANAL) data, which is operationally used for numerical weather prediction by the Japan Meteorological Agency (JMA). The tools, which we have named KAshima RAytracing Tools (KARAT)', are capable of calculating total slant delays and ray-bending angles considering real atmospheric phenomena. The KARAT can estimate atmospheric slant delays by an analytical 2-D ray-propagation model by Thayer and a 3-D Eikonal solver. We compared PPP solutions using KARAT with that using the Global Mapping Function (GMF) and Vienna Mapping Function 1 (VMF1) for GPS sites of the GEONET (GPS Earth Observation Network System) operated by Geographical Survey Institute (GSI). In our comparison 57 stations of GEONET during the year of 2008 were processed. The KARAT solutions are slightly better than the solutions using VMF1 and GMF with linear gradient model for horizontal and height positions. Our results imply that KARAT is a useful tool for an efficient reduction of atmospheric path delays in radio-based space geodetic techniques such as GNSS and VLBI.

Ichikawa, Ryuichi↗