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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 271 records · Page 15

A hierarchical gray-box dynamic modeling methodology for direct-expansion cooling systems to support control stability analysis; Méthodologie de modélisation dynamique hiérarchique de type boîte grise pour les systèmes de refroidissement à détente directe afin de soutenir l'analyse de stabilité de la commande

In this paper, a gray-box dynamic modeling approach for direct-expansion cooling systems is presented. The overall approach incorporates a multi-stage training procedure that consists of 1) identification of component sub-models from quasi-steady-state performance data, 2) system model integration with estimation of refrigerant charge and 3) fine tuning of thermal capacitances of the evaporator and condenser to capture the system dynamic responses. Compared to traditional physics-based models, the proposed modeling approach has advantages including reduced engineering efforts in the model development phase, improved computational efficiency and enhanced prediction accuracy. The modeling method was validated using a 3-ton variable-speed heat pump and proved to be capable of accurately predicting the system transient behaviors over a wide range of operating conditions. The established dynamic model was then applied for control stability analysis, with a specific goal of determining a proper control execution time step. The case study results showed that the stable control execution time step could change significantly, from 3 sec to 19 sec, as the operating conditions and control settings vary, and a proper selection of the execution time step is critical to ensure stable and reliable operations.

42 ENGINEERING↗

A multi-scale approach to designing therapeutics for tuberculosis

Approximately one third of the world’s population is infected with Mycobacterium tuberculosis . Limited information about how the immune system fights M. tuberculosis and what constitutes protection from the bacteria impact our ability to develop effective therapies for tuberculosis. We present an in vivo systems biology approach that integrates data from multiple model systems and over multiple length and time scales into a comprehensive multi-scale and multi-compartment view of the in vivo immune response to M. tuberculosis . Lastly, we describe computational models that can be used to study (a) immunomodulation with the cytokines tumor necrosis factor and interleukin 10, (b) oral and inhaled antibiotics, and (c) the effect of vaccination.

59 BASIC BIOLOGICAL SCIENCES↗

Climate change impacts on the energy system: a model comparison

Increasing renewable energy use is an essential strategy for mitigating climate change. Nevertheless, the sensitivity of renewable energy to climatic conditions means that the energy system’s vulnerability to climate change can also become larger. In this research, we used two integrated assessment models and data from four climate models to analyse climate change impacts on primary energy use at a global and regional scale under a low-level (RCP2.6) and a medium-level (RCP6.0) climate change scenario. The impacts are analysed on the energy system focusing on four renewable sources (wind, solar, hydropower, and biomass). Globally, small climate impacts on renewable primary energy use are found in both models (5% for RCP2.6 and 6% for RCP6.0). These impacts lead to a decrease in the use of fossil sources for most regions, especially for North America and Europe under the RCP60 scenario. Overall, IMAGE and GCAM provide a similar signal impact response for most regions. E.g. in Asia (excluding China and India), climate change induces an increase in wind and hydropower use under the RCP6.0 scenarios; however, for India, a decrease in solar energy use can be expected under both scenarios and models.

54 ENVIRONMENTAL SCIENCES↗

Introduction: The 2014 Sandia Verification and Validation Challenge Workshop [The 2014 Sandia Verification and Validation Challenge Workshop]

The 2014 Sandia Verification & Validation Challenge Workshop was held at the 3rd ASME Verification & Validation Symposium in Las Vegas, on May 5-8, 2014. The workshop was built around a challenge problem, formulated as an engineering investigation that required integration of experimental data, modeling and simulation, and verification and validation. The challenge problem served as a common basis for the ASME Journal of Verification, Validation, and Uncertainty Quantification participants to both demonstrate methodology and explore a critical aspect of the field: the role of verification and validation in establishing credibility and supporting decision making. Ten groups presented responses to the challenge problem at the workshop, and the follow-on efforts are documented in this special edition of the ASME Journal of Verification, Validation, and Uncertainty Quantification.

97 MATHEMATICS AND COMPUTING↗

BioSiting Tool (BioSiting) v2

The BioSiting Tool provides a geospatial interface for analyzing bioeconomy resources and infrastructure across the continental U.S. The tool integrates empirical and modeled data from a broad range of sources. Bioeconomy resources mapped in the tool include agricultural residues, forest residues, municipal solid waste streams, food waste, manure, fats, oils and greases and potential yields of energy crops. Infrastructure mapped in the tool includes biorefineries, material recovery facilities, anaerobic digesters, wastewater treatment plants, combustion plants, district energy systems, crude oil pipelines, petroleum pipelines, natural gas pipelines, railways and freight terminals. Additional data layers include environmental justice indicators at the census tract level and carbon dioxide geologic storage potential. Users can select a location on the map, define a buffer radius in kilometers and generate an inventory of all bioecomony resources within the buffer zone. Data from the tool can be downloaded from individual buffer zones, or at the state or national level.

Huntington, Tyler↗

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗

Envision: An interactive system for the management and visualization of large geophysical data sets

Envision is a software project at the University of Illinois and Texas A&M, funded by NASA's Applied Information Systems Research Project. It provides researchers in the geophysical sciences convenient ways to manage, browse, and visualize large observed or model data sets. Envision integrates data management, analysis, and visualization of geophysical data in an interactive environment. It employs commonly used standards in data formats, operating systems, networking, and graphics. It also attempts, wherever possible, to integrate with existing scientific visualization and analysis software. Envision has an easy-to-use graphical interface, distributed process components, and an extensible design. It is a public domain package, freely available to the scientific community.

Searight, K. R.↗

Insights into Tropospheric Ozone from the INTEX Ozonesonde Network Study (IONS)

Ozone profile data from soundings integrate models, aircraft and other ground-based measurements for better interpretation of atmospheric chemistry and dynamics. A well-designed network of ozonesonde stations, with consistent sampling, can answer questions not possible with short campaigns or current satellite technology. The SHADOZ (Southern Hemisphere Additional Ozonesondes) project, for example, has led to these findings about tropical ozone: definition of the zonal tropospheric wave-one pattern in equatorial ozone, characterization of the "Atlantic ozone paradox" and establishment of a link between tropical Atlantic and Indian Ocean pollution. Building on the SHADOZ concept, a short-term ozone network was formed in July-August 2004 to coordinate ozonesonde launches during the ICARTT/INTEX/NEAQS (International Consortium on Atmospheric Research on Transport and Transformation)/Intercontinental Transport Experiment/New England Air Quality Study. In IONS (INTEX Ozonesonde Network Study), more than 250 soundings, with daily frequency at half the sites, were launched from eleven North American stations and an oceanographic ship in the Gulf of Maine. Although the goal was to examine pollution influences under stable high-pressure systems and transport associated with "warm conveyor belt" flows, the INTEX study region was dominated by a series of weak frontal system that mixed aged pollution with stratospheric ozone in the middle troposphere. Deconvoluting ozone sources provides new insights into ozone in the transition between mid-latitude and polar air.

Thompson, Anne M.↗

Future Surface Decision Support Overview

This presentation presents the capabilities of the Airspace Technology Demonstration 2 (ATD-2) Integrated Arrival, Departure, and Surface (IADS) system as a surface decision support tool for users, including Air Traffic Control (ATC) personnel working at the tower and Center facilities and airline Ramp personnel. The ATD-2 IADS capabilities include data exchange and integration, modeling and scheduling, surface metering, and departure scheduling for overhead stream insertion of constrained flights.

Surface Decision Support↗

Changes in Land Use Enhance the Sensitivity of Tropical Ecosystems to Fire-Climate Extremes

The Pantanal, the largest contiguous wetland in the world with a high diversity of ecosystems and habitat for several endangered species, was impacted by record-breaking wildfires in 2020. In this study, we integrate satellite and modeling data that enable exploration of natural and human contributing factors to the unprecedented 2020 fires. We demonstrate that the fires were fueled by an exceptional multi-year drought, but dry conditions solely could not explain the spatial patterns of burning. Our analysis reveals how human-caused fires exacerbated drought effects on natural ecosystem within the Pantanal, with large burned fractions primarily over natural (52%), and low cattle density areas (44%) in 2020. The post-fire ecosystem and hydrology changes also had strong ecological effects, with vegetation productivity less than − 1.5 σ over more than 30% of the natural and conservation areas. In contrast to more managed areas, there was a clear decrease in evaporation (by ~ 9%) and an increase in runoff (by ~ 5%) over the natural areas, with long-term impacts on ecosystem recovery and fire risk. This study provides the first tropical evidence outside rainforests of the synergy between climate, land management and fires, and the associated impacts on the ecosystem and hydrology over the largest contiguous wetlands in the world.

Sujay Kumar↗

Development of A Composite Drought Indicator for Operational Drought Monitoring in the MENA Region

This paper presents the composite drought indicator (CDI) that Jordanian, Lebanese, Moroccan, and Tunisian government agencies now produce monthly to support operational drought management decision making, and it describes their iterative co-development processes. The CDI is primarily intended to monitor agricultural and ecological drought on a seasonal time scale. It uses remote sensing and modelled data inputs, and it reflects anomalies in precipitation, vegetation, soil moisture, and evapotranspiration. Following quantitative and qualitative validation assessments, engagements with policymakers, and consideration of agencies’ technical and institutional capabilities and constraints, we made changes to CDI input data, modelling procedures, and integration to tailor the system for each national context. We summarize validation results, drought modelling challenges and how we overcame them through CDI improvements, and we describe the monthly CDI production process and outputs. Finally, we synthesize procedural and technical aspects of CDI development and reflect on the constraints we faced as well as trade-offs made to optimize the CDI for operational monitoring to support policy decision-making—including aspects of salience, credibility, and legitimacy—within each national context.

Karim Bergaoui↗

Integrating machine learning and multiscale modeling—perspectives, challenges, and opportunities in the biological, biomedical, and behavioral sciences

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret these data to advance human health. The recent rise of machine learning as a powerful technique to integrate multimodality, multifidelity data, and reveal correlations between intertwined phenomena presents a special opportunityin this regard. However, classical machine learning techniques often ignore the fundamental laws of physics and result in ill-posed problems or non-physical solutions. Multiscale modeling is a successful strategy to integrate multiscale, multiphysics data and uncover mechanisms that explain the emergence of function. However, multiscale modeling alone often fails to efficiently combine large data sets from different sources and different levels of resolution. Here we demonstrate that machine learning and multiscale modeling can naturally complement each other to create robust predictive models that integrate the underlying physics to manage ill-posed problems and explore massive design spaces. We critically review the current literature, highlight applications and opportunities, address open questions, and discuss potential challenges and limitations in four overarching topical areas: ordinary differential equations, partial differential equations, data-driven approaches, and theory-driven approaches. Towards these goals, we leverage expertise in applied mathematics, computer science, computational biology, biophysics, biomechanics, engineering mechanics, experimentation, and medicine. Our multidisciplinary perspective suggests that integrating machine learning and multiscale modeling can provide new insights into disease mechanisms, help identify new targets and treatment strategies, and inform decision making for the benefit of human health.

97 MATHEMATICS AND COMPUTING↗

Towards a New Generation of Agricultural System Data, Models and Knowledge Products: Design and Improvement

This paper presents ideas for a new generation of agricultural system models that could meet the needs of a growing community of end-users exemplified by a set of Use Cases. We envision new data, models and knowledge products that could accelerate the innovation process that is needed to achieve the goal of achieving sustainable local, regional and global food security. We identify desirable features for models, and describe some of the potential advances that we envisage for model components and their integration. We propose an implementation strategy that would link a "pre-competitive" space for model development to a "competitive space" for knowledge product development and through private-public partnerships for new data infrastructure. Specific model improvements would be based on further testing and evaluation of existing models, the development and testing of modular model components and integration, and linkages of model integration platforms to new data management and visualization tools.

Agricultural systems↗

Federation of UML models for cyber physical use cases

This method employs the concept of federation, which is defined as the use of existing models that represent aspects of a system in specific domains (such as physical and cyber security domains) and building interfaces to link all of domain models. Federation seeks to build on existing bodies of work. Some examples include the Common Information Models (CIM) maintained by the International Electrotechnical Commission Technical Committee 57 (IEC TC 57) for the electric power industry. Another relevant model is the CIM maintained by the Distributed Management Task Force (DMTF)? this CIM defines a representation of the managed elements in an Information Technology (IT) environment. The power system is an example of a cyber-physical system, where the cyber systems, consisting of computing infrastructure such as networks and devices, play a critical role in the operation of the underlying physical electricity delivery system. Measurements from remote field devices are relayed to control centers through computer networks, and the data is processed to determine suitable control actions. Control decisions are then relayed back to field devices. It has been observed that threat actors may be able to successfully compromise this cyber layer in order to impact power system operation. Therefore, future control center applications must be wary of potentially compromised measurements coming from field devices. In order to ensure the integrity of the field measurements, these applications could make use of compromise indicators from alternate sources of information such as cyber security. Thus, modern control applications may require access to data from sources that are not defined in the local information model. In such cases, software application interfaces will require integration of data objects from cross-domain data models. When incorporating or federating different domains, it is important to have subject matter experts work together, recognizing that not everyone has the same knowledge, responsibilities, focus, or skill set.

Source record↗

The contribution of CEOP data to the understanding and modeling of monsoon systems

CEOP has contributed and will continue to provide integrated data sets from diverse platforms for better understanding of the water and energy cycles, and for validating models. In this talk, I will show examples of how CEOP has contributed to the formulation of a strategy for the study of the monsoon as a system. The CEOP data concept has led to the development of the CEOP Inter-Monsoon Studies (CIMS), which focuses on the identification of model bias, and improvement of model physics such as the diurnal and annual cycles. A multi-model validation project focusing on diurnal variability of the East Asian monsoon, and using CEOP reference site data, as well as CEOP integrated satellite data is now ongoing. Similar validation projects in other monsoon regions are being started. Preliminary studies show that climate models have difficulties in simulating the diurnal signals of total rainfall, rainfall intensity and frequency of occurrence, which have different peak hours, depending on locations. Further more model diurnal cycle of rainfall in monsoon regions tend to lead the observed by about 2-3 hours. These model bias offer insight into lack of, or poor representation of key components of the convective,and stratiform rainfall. The CEOP data also stimulated studies to compare and contrasts monsoon variability in different parts of the world. It was found that seasonal wind reversal, orographic effects, monsoon depressions, meso-scale convective complexes, SST and land surface land influences are common features in all monsoon regions. Strong intraseasonal variability is present in all monsoon regions. While there is a clear demarcation of onset, breaks and withdrawal in the Asian and Australian monsoon region associated with climatological intraseasonal variability, it is less clear in the American and Africa monsoon regions. The examination of satellite and reference site data in monsoon has led to preliminary model experiments to study the impact of aerosol on monsoon variability. I will show examples of how the study of the dynamics of aerosol-water cycle interactions in the monsoon region, can be best achieved using the CEOP data and modeling strategy.

Lau, William K. M.↗

Ensemble cell-wide kinetic modeling of anaerobic organisms to support fuels and chemicals production

The goal of this project is to understand the metabolism and underlying regulatory networks of two anaerobic microorganisms, Moorella thermoacetica and Clostridium thermocellum by making use of Ensemble Modeling (EM) paradigm through integration of multiple omic information (transcriptomic, proteomic, metabolomic & fluxomic). Kinetic models have the potential to provide a mechanistic description of cellular metabolism by combining several layers of regulatory events into an integrated framework. The foundation of the kinetic model is a stoichiometric network description. To this end, we have developed and curated genome-scale metabolic (GSM) models of the organisms that will serve as scaffold for building the kinetic models. For M. thermoacetica, the GSM model was constructed and tested by the Stephanopoulos group with experimental growth rate. The GSM elucidated the energy conservation mechanism under autotrophic growth conditions. For C. thermocellum, the Maranas group has developed the second-generation GSM model through integration of experimental data. The Maranas group has also constructed a core metabolic kinetic model of the organism which includes the central metabolism and all relevant pathways for biofuels production. The stoichiometric and kinetic model predictions were tested extensively using experimental data for wild-type and 20 mutant strains. We have outlined below in detail the progress related to specific individual aims. Below are listed publications of research carried out based on this research grant support.

09 BIOMASS FUELS↗

Integration of microseismic monitoring data into coupled flow and geomechanical models with ensemble Kalman filter

Abstract Hydraulic stimulation of low‐permeability rocks in enhanced geothermal systems, shale resources, and CO 2 storage aquifers can trigger microseismic events, also known as microearthquakes (MEQs). The distribution of microseismic source locations in the reservoir may reveal important information about the distribution of hydraulic and geomechanical rock properties. In this paper, we present a framework for conditioning heterogeneous rock permeability and geomechanical property distributions on microseismic data. To simulate the multiphysics processes in these systems, we combine a fully coupled flow and geomechanical model with the Mohr‐Coulomb type rock failure criterion. The resulting multiphysics simulation constitutes the forecast model that relates microseismic source locations to reservoir rock properties. We adopt this forward model in an ensemble Kalman filter (EnKF) data assimilation framework to jointly estimate reservoir permeability and geomechanical property distributions from injection‐induced microseismic response measurements. We show that integration of a large number of spatially correlated microseismic data with practical ensemble sizes can lead to severe underestimation of ensemble spread, and eventually ensemble collapse. To mitigate the variance underestimation issue, two low‐rank data representation schemes are presented and discussed. In the first approach, microseismic data are projected onto a low‐dimensional subspace defined by the left singular vectors of the perturbed observation matrix. The second method uses a coarser grid for representing the microseismic data. A series of numerical experiments is presented to evaluate the performance of the proposed methods and to illustrate their applicability for assimilating microseismic data into coupled flow and geomechanical forward models to estimate multiphysics rock properties.

Tarrahi, Mohammadali↗