Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “model integration framework”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,099 records · Page 61

Uncertainty Quantification in CO2 Trapping Mechanisms: A Case Study of PUNQ-S3 Reservoir Model Using Representative Geological Realizations and Unsupervised Machine Learning

Evaluating uncertainty in CO2 injection projections often requires numerous high-resolution geological realizations (GRs) which, although effective, are computationally demanding. This study proposes the use of representative geological realizations (RGRs) as an efficient approach to capture the uncertainty range of the full set while reducing computational costs. A predetermined number of RGRs is selected using an integrated unsupervised machine learning (UML) framework, which includes Euclidean distance measurement, multidimensional scaling (MDS), and a deterministic K-means (DK-means) clustering algorithm. In the context of the intricate 3D aquifer CO2 storage model, PUNQ-S3, these algorithms are utilized. The UML methodology selects five RGRs from a pool of 25 possibilities (20% of the total), taking into account the reservoir quality index (RQI) as a static parameter of the reservoir. To determine the credibility of these RGRs, their simulation results are scrutinized through the application of the Kolmogorov–Smirnov (KS) test, which analyzes the distribution of the output. In this assessment, 40 CO2 injection wells cover the entire reservoir alongside the full set. The end-point simulation results indicate that the CO2 structural, residual, and solubility trapping within the RGRs and full set follow the same distribution. Simulating five RGRs alongside the full set of 25 GRs over 200 years, involving 10 years of CO2 injection, reveals consistently similar trapping distribution patterns, with an average value of Dmax of 0.21 remaining lower than Dcritical (0.66). Using this methodology, computational expenses related to scenario testing and development planning for CO2 storage reservoirs in the presence of geological uncertainties can be substantially reduced.

Mahjour, Seyed Kourosh↗

AI-Powered Knowledge Graphs for Neuromorphic and Energy-Efficient Computing

The surge in scientific literature obscures breakthroughs and hinders the discovery of new research paths. We propose an artificial intelligence (AI) powered framework using large language models (LLMs) and knowledge graphs (KGs) to automate parts of scientific discovery, focusing on energy-efficient AI circuits. Our hybrid approach combines LLMs, structured data, and ontology-based reasoning to construct a comprehensive knowledge graph that integrates insights across computational neuroscience, spiking neuron models, learning rules, architectural motifs, and neuromorphic device technologies. This multi-domain representation enables the generation of hypotheses that connect biological function with implementable, energy-efficient hardware architectures. Using KG embeddings and graph neural networks, the framework generates hypotheses for novel circuits, validates them through optimization on exascale HPC systems, and with tools like SuperNeuro and Fugu, the most promising designs will be prototyped in hardware. This open-source system aims to accelerate discoveries and bridging neuroscience with hardware innovation, drive collaboration, and unlock new opportunities in low-power AI computing.

Gautam, Ashish [ORNL]↗

Optimizing fluvial flood mitigation strategies: A multi-objective approach for cost-effective and socially-aware infrastructure feasibility analysis

Effective levee planning must balance capital cost, risk reduction, and community priorities. These objectives are rarely optimized together. This study presents a feasibility phase, simulationin-the-loop framework that couples terrain-based flood modeling with a socially aware multiobjective optimizer. Flood risk is measured as Expected Annual Exposed Population (EAEP), obtained by integrating exposure over Annual Exceedance Probability (AEP) nodes, mirroring the Hydrologic Engineering Center's Flood Damage Reduction Analysis (HEC-FDA) expected-annual formulation but with people rather than dollars. Exposure per scenario is computed by overlaying binary inundation masks with a population surface at the tract level. Distributional fairness is encoded through a Group Benefit Share (GBS) constraint that requires high-SVI tracts to receive at least a baseline share of annualized benefits. Capital cost is represented by a height-dependent unit-cost model suitable for screening. This study addresses the two-objective problem, minimize cost and expected annual exposure subject to the GBS constraint, using Non-Dominated Sorting Genetic Algorithm II (NSGA-II) and leveraging Pareto front for feasibility phase decision making. Implemented with terrain-based flood modeling, GeoFlood, for rapid scenario evaluation, the framework is demonstrated in Southeast Texas. The results reveal clear trade-offs among cost, risk, and social benefits and identify non-dominated levee height configurations that satisfy the benefit-share floor. The contributions are a scalable decision support method that operationalizes expected annual population-based risk, embeds enforceable benefit-sharing guarantees, and uses lightweight simulation to explore large design spaces before higher fidelity design stages.

Flood mitigation↗

Using Explainable Artificial Intelligence to Predict Perovskite Solar Cell Electrical Metastability from Operando Photoluminescence Images in Accelerated Stress Testing

Metal halide perovskite (MHP) solar cells exhibit a metastable response to bias governed by coupled ionic–electronic processes, complicating the conventional reciprocity relation between luminescence intensity and device open-circuit voltage (V oc ). This limits the use of luminescence as a diagnostic for device screening or accelerated stress testing, motivating new approaches that can interpret photoluminescence (PL) signals under nonequilibrium conditions. From the artificial intelligence perspective, we develop an explainable deep learning framework that integrates convolutional neural networks (CNN), long short-term memory (LSTM) layers, and an attention mechanism to learn spatiotemporal features from operando photoluminescence PL image sequences. The model achieves a mean absolute error of ±0.027 V in predicting open-circuit voltage transients and reduces extreme-tail errors by up to 78% compared to physics-based reciprocity calculations. Gradient-weighted Class Activation Mapping (Grad-CAM) provides interpretability by highlighting physically meaningful regions such as electrode edges and emergent defect features. From the engineering application perspective, this framework enables accurate, contactless prediction of device V oc and identification of degradation-relevant features during accelerated aging of perovskite solar cells. This approach demonstrates how explainable AI can enhance operando diagnostics and reliability analysis in photovoltaic devices under nonequilibrium conditions.

14 SOLAR ENERGY↗

VISAGE - A Visualization and Exploration Framework for Environmental Data

Diverse airborne and ground-based environmental observations are important technologies for disaster assessment and response, as well as for the validation of environmental satellite observations and atmospheric models which can improve forecasts. The VISAGE (Visualization for Integrated Satellite, Airborne and Ground-based data Exploration) project is working to provide three-dimensional visualization and basic analytics capabilities for such datasets in an interactive user interface. The use of cloud-native, server less technologies for analysis optimized data storage will position VISAGE for integration with other technologies into a Data Analytic Center Framework.

Conover, Helen↗

BASIN-3D: A brokering framework to integrate diverse environmental data

Diverse observational and simulation datasets are needed to understand and predict complex ecosystem behavior over seasonal to decadal and century time-scales. Integration of these datasets poses a major barrier towards advancing environmental science, particularly due to differences in the structure and formats of data provided by various sources. Here, we describe BASIN-3D (Broker for Assimilation, Synthesis and Integration of eNvironmental Diverse, Distributed Datasets), a data integration framework designed to dynamically retrieve and transform heterogeneous data from different sources into a common format to provide an integrated view. BASIN-3D enables users to adopt a standardized approach for data retrieval and avoid customizations for the data type or source. We demonstrate the value of BASIN-3D with two use cases that require integration of data from regional to watershed spatial scales. The first application uses the BASIN-3D Python library to integrate time-series hydrological and meteorological data to provide standardized inputs to analytical and machine learning codes in order to predict the impacts of hydrological disturbances on large river corridors of the United States. The second application uses the BASIN-3D Django framework to integrate diverse time-series data in a mountainous watershed in East River, Colorado, United States to enable scientific researchers to explore and download data through an interactive web portal. Thus, BASIN-3D can be used to support data integration for both web-based tools, as well as data analytics using Python scripting and extensions like Jupyter notebooks. The framework is expected to be transferable to and useful for many other field and modeling studies.

Varadharajan, C↗

Design, Development, and Use of a Lunar Lander Simulation for NASA's Artemis Program

This paper describes the design, development, and initial use of a generalized and configurable lunar lander simulation to support NASA’s Artemis Program. This simulation is being developed for the Crew Compartment Office (CrewCo) in the Human Landing Systems (HLS) program and is called the HLS CrewCo Lander Simulation (HCLS). The HCLS provides insight into the challenges associated with returning humans to the Moon and the particular difficulties of operating at the Lunar South Pole. The simulation models a generalized integrated lunar landing spacecraft based on a government reference design but can and has been adapted to model vendor specific designs as well. The simulation architecture and tool sets provide a flexible framework that allows for quickly prototyping and evaluating various aspects of a piloted lunar landing system. This includes the modeling of all principal human controlled flight phases: rendezvous and docking with crew transfer systems; docked orbital outpost operations; undocking and lunar transfer; lunar orbital operations; lunar deorbit, descent, and landing (DDL); lunar surface operations; lunar ascent; and return to the orbital outpost. The flexibility of the simulation allows for the integrated evaluation of potential vehicle subsystems, crew displays, guidance and control modes, and trajectory designs. The purpose of the HCLS is not to design the ideal lunar lander, but rather to understand and the strengths and weaknesses of vehicle design choices. This paper describes the basic simulation architecture and discusses the tool sets used to develop the HCLS. This includes a number of open source tool sets and publicly available data sets. This paper also describes some of the early use cases and findings. The primary focus of early HCLS use has been on the manual piloting task to safely get the crew to the desired landing site in case of a failure in the automated guidance system. Several guidance modes and cues have been implemented which allow a pilot to manually fly the vehicle to the targeted landing site starting anywhere from powered descent initiation. It has been a valuable tool for understanding what is required to manually fly a lunar lander as well as giving a sense of the vehicle dynamics, which are much different than anything that is flown on Earth. A number of experienced test pilots have participated in manual piloting evaluations using the HCLS and provided valuable feedback on the piloting task which has been very beneficial to NASA and the HLS program.

James Michael Gentile↗

Capture Instead of Release: Defect-Modulated Radionuclide Leaching Kinetics in Metal–Organic Frameworks

Comparison of defect-controlled leaching-kinetics modulation of metal–organic frameworks (MOFs) and porous functionalized silica-based materials was performed on the example of a radionuclide and radionuclide surrogate for the first time, revealing an unprecedented readsorption phenomenon. On a series of zirconium-based MOFs as model systems, we demonstrated the ability to capture and retain >99% of the transuranic 241 Am radionuclide after 1 week of storage. Here, we report the possibility of tailoring radionuclide release kinetics in MOFs through framework defects as a function of postsynthetically installed organic ligands including cation-chelating crown ether-based linkers. Based on comprehensive analysis using spectroscopy (EXAFS, UV–vis, FTIR, and NMR), X-ray crystallography (single crystal and powder), and theoretical calculations (nine kinetics models and structure simulations), we demonstrated the synergy of radionuclide integration methods, topological restrictions, postsynthetic scaffold modification, and defect engineering. This combination is inaccessible in any other material and highlights the advantages of using well-defined frameworks for gaining fundamental knowledge necessary for the advancement of actinide-based material development, providing a pathway for addressing upcoming challenges in the nuclear waste administration sector.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Domain specific software design for decision aiding

McDonnell Aircraft Company (MCAIR) is involved in many large multi-discipline design and development efforts of tactical aircraft. These involve a number of design disciplines that must be coordinated to produce an integrated design and a successful product. Our interpretation of a domain specific software design (DSSD) is that of a representation or framework that is specialized to support a limited problem domain. A DSSD is an abstract software design that is shaped by the problem characteristics. This parallels the theme of object-oriented analysis and design of letting the problem model directly drive the design. The DSSD concept extends the notion of software reusability to include representations or frameworks. It supports the entire software life cycle and specifically leads to improved prototyping capability, supports system integration, and promotes reuse of software designs and supporting frameworks. The example presented in this paper is the task network architecture or design which was developed for the MCAIR Pilot's Associate program. The task network concept supported both module development and system integration within the domain of operator decision aiding. It is presented as an instance where a software design exhibited many of the attributes associated with DSSD concept.

Keller, Kirby↗

Modeling transient edge plasma transport with dynamic recycling

The work presents numerical simulation studies of the role that dynamic plasma recycling on the main wall and divertor target surfaces plays in transient edge plasma transport phenomena, such as edge localized modes (ELMs). The studies are performed by coupling the edge plasma transport code UEDGE [Rognlien et al., J. Nucl. Mater. 196–198, 347 (1992)] and the wall reaction–diffusion transport code FACE [Smirnov et al., Fusion Sci. Technol. 71, 75 (2017)]. The two-dimensional, time-dependent, two-way coupling of the codes, in a realistic tokamak geometry, is accomplished using the Integrated Plasma Simulator framework [Elwasif et al., in 18th Euromicro Conference on Parallel, Distributed and Network-Based Processing (PDP 2010), Pisa, Italy (IEEE, 2010), pp. 419–427] for all modeled material plasma boundaries. The simulations show that dynamic plasma recycling has substantially different characteristics on the main wall and on the divertor plates. It is demonstrated that during an ELM cycle the outer wall can dynamically absorb and release a number of particles comparable to that expelled by the ELM from the core plasma, by far exceeding the dynamic retention capacity of the divertor surfaces. The resulting evolution of the edge and divertor plasma conditions during an ELM cycle is analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Theoretical Insights into Reaction-Induced Transformation and Tuning of Catalytic Behavior in Heterogenous Catalysis

Reaction-induced transformations in heterogenous catalysis represent diverse phenomena that challenge traditional views of static catalyst surfaces. From surface adsorbate dynamics, atomic rearrangements, to composition and phase transitions, these processes reveal the profound differences between idealized model systems under ultrahigh vacuum and the complex, evolving interfaces that govern real catalytic behaviors under reaction conditions. Here, this perspective reviews recent theoretical efforts to provide atomic-level mechanistic insights into significant reaction-induced transformations and their impact on catalytic activity and selectivity. It underscores the need for an integrated framework that combines predictive simulations with operando characterization to uncover active sites and mechanisms under realistic operating conditions. Achieving this requires accelerating existing simulations to fully capture diverse reaction-induced surface dynamics, enabling scalable and accurate modeling of catalysts as condition-dependent, dynamically evolving systems. Such approaches are critical to bridge the gap between theory and practice, offering a pathway to more impactful and predictive catalyst design.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Linking transportation agent-based model ($\mathrm{ABM}$) outputs with micro-urban social types ($\mathrm{MUSTs}$) via typology transfer for improved community relevance

The human relationship with transportation is shaped by social, economic, demographic, and urban form variables, or socio-spatial factors. The spatial dynamics of these are key to generating and interpreting outputs of transportation models that are most relevant for a community and the diverse mobility needs of its members. Here we present a typology transfer framework, grounded in socio-spatial dynamics shaping people's mobility, to take transportation-themed regional mobility model outcomes, in this case from two agent-based models (ABMs), and extrapolate them to other cities, with less time and resource intensity than new ABM development. The typology transfer process first identifies micro-urban social types (MUSTs) using socio-spatial factors, then defines city types based on spatial patterns of MUSTs to assess across which cities transfer results are likely to best hold. Lastly, a typology transfer multiplier matrix extrapolates a given variable, in our case the Mobility Energy Productivity (MEP) metric, to another city. The full process demonstration uses ABM results from Chicago (POLARIS model) and San Francisco (BEAM model), applying them to New York City. We discuss how MEP or other outputs can be appropriately estimated and used for integrated, human-centered mobility analysis. Key findings include that this MUST framework of user-defined dependent and independent variables allows tailoring ABM results and interpretations to specific community needs and data availability. Findings clarify that positive outcomes can be targeted towards user groups, based on sociospatial characteristics, using a typology approach, such as inclusive access to mobility choices, transportation affordability, and greater efficiency in resource use.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Reconstruction framework advancements to support streaming for the ePIC detector at the EIC

The ePIC collaboration adopted the JANA2 framework to manage its reconstruction algorithms. This framework has since evolved substantially in response to ePIC’s needs. There have been three main design drivers: integrating cleanly with the Podio-based data models and other layers of the key4hep stack, enabling external configuration of existing components, and supporting timeframe splitting for streaming readout. The result is a unified component model featuring a new declarative interface for specifying inputs, outputs, parameters, services, and resources. This interface enables the user to instantiate, configure, and wire components via an external file. One critical new addition to the component model is a hierarchical decomposition of data boundaries into levels such as Run, Timeframe, PhysicsEvent, and Subevent. Two new component abstractions, Folder and Unfolder, are introduced in order to traverse this hierarchy, e.g. by splitting or merging. The pre-existing components can now operate at different event levels, and JANA2 will automatically construct the corresponding parallel processing topology. This means that a user may write an algorithm once, and configure it at runtime to operate on timeframes or on physics events. Overall, these changes mean that the user requires less knowledge about the framework internals, obtains greater flexibility with configuration, and gains the ability to reuse the existing abstractions in new streaming contexts.

Brei, Nathan [Thomas Jefferson National Accelerato↗

Twinac: initiation of a community-driven accelerator digital twin framework

We present the initiation of a community-driven framework for the integration of accelerator digital twins into control systems: Twinac. Few facilities have fully integrated accelerator digital twins like at Cornell’s CHESS. Many facilities have active research to employ surrogate models to aid in operational decisions like at Argonne’s ALS, MSU’s FRIB, SLAC’s LCLS-II, and Fermilab’s FAST/IOTA, PIP-II, and main complex. To lower the barrier to entry for all accelerator facilities to build and benefit from a digital twin of their own accelerators, we propose the following software framework. Twinac will provide the capability to compose one’s own digital twin using reusable components engineered at other facilities. With this model in place, Twinac will also support tools for (1) predictive maintenance systems; (2) discovery of correlated but uncontrolled environmental factors, like seasonal temperature variations causing performance changes on power supplies, magnets, etc.; and (3) prototyping and updating sophisticated optimization and controls algorithms. The Twinac framework will enable sharing and simplified deployment of modeled components and control algorithms at all facilities. With an inter-facility team to build and support the Twinac framework, it will be easy to publish and try out the latest advancements at one’s own facility.

Miceli, Tia [Fermilab]↗

Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery

The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.

25 ENERGY STORAGE↗

Output model-following control synthesis for an oblique-wing aircraft

Recent interest in oblique-wing aircraft has focused on the potential aerodynamic performance advantage of a variable-skew oblique wing over a conventional or symmetric sweep wing. Unfortunately, the resulting asymmetric configuration has significant aerodynamic and inertial cross-coupling between the aircraft longitudinal and lateral-directional axes. Presented here is a decoupling control law synthesis technique that integrates stability augmentation, decoupling, and the direct incorporation of desired handling qualities into an output feedback controller. The proposed design technique uses linear quadratic regulator concepts in the framework of explicit model following. The output feedback strategy used is a suboptimal projection from the state space to the output space. Dynamics are then introduced into the controller to improve steady-state performance and increase system robustness. Closed-loop performance is shown by application of the control laws to the linearized equations of motion and nonlinear simulation of an oblique-wing aircraft.

Pahle, Joseph W.↗

Development of Energy Storage: Cost models

Energy storage technologies offer a promising solution to electric grid stability issues associated with the integration of variable renewable generators. The capability to match the electrical power output to instantaneous fluctuations in grid demand is crucial to ensure continuity of service. Including energy storage capability in an integrated energy system (IES) can provide the flexibility needed to meet variable electric demand and reduce the load following demands place on the reactor. In this report, economic data collected for energy storage (ES) technologies are described to support the objective of assessing the profitability of ES integration within the IES framework. In particular, there is a growing interest in thermal energy storage (TES) given its unique capability for long-duration storage for improving electricity reliability at a low levelized cost. It is common practice to evaluate the total lifetime cost and profitability before commercializing new technologies. In this report we identify and examine the models needed to better understand the economics of thermal energy storage. We extend the TES cost model in RAVEN in the context of a balance of plant (BOP) that incorporates thermal storage. To focus the discussion, following a general overview of the most promising TES technologies, we consider a use case that involves a sensible heat, two-tank, molten-salt system. Structural and operational details are reported to identify the source of construction capital expenditure and operation and maintenance cost. A detailed description of the different cost items is provided as well as the cost scaling with different storage capacity and power ratings for capacity optimization purpose. In addition, the capital expenditure and the recurring cost of representative two-tank, molten salt coupled with concentrated solar plants are provided for readers’ reference. The ES use case is noteworthy as it is in the pilot stage of commercialization. We identify those areas that would benefit from an increased economic focus to obtain a more complete compilation of cost data. We also describe the thermal coupling issues that arise from integration of the two-tank molten salt thermal energy storage system with a BOP, which is the subject of our current research. Some components of costs will need to be evaluated through dedicated technoeconomic analysis in future modeling activities using modeling procedures proposed in this report. With the data presented and the procedures described in this report, sufficiently accurate models can be implemented for the solution of both the power dispatch and the capacity expansion problems within the RAVEN-based HYBRID framework.

25 ENERGY STORAGE↗

NASA Quality Assurance in an MBSE world

Over the past decade or so, the emergence of Model Based Systems Engineering (MBSE) has demonstrated its desirability and value in terms of 1) being a single source of truth, 2) unambiguous definitions and relationships, and 3) after representation, the ability to explore/extract any sets of data on demand. While much work has been done in showing the value to the system engineering discipline in these areas, how does that value translate to the Safety and Mission Assurance (S&MA) world? This paper provides a vision of a very desirable future of NASA S&MA after it is fully integrated into the MBSE framework. We explore the impact and consequences of the MBSE Value items discussed above and how they impact the disciplines of quality assurance, reliability and maintainability, system safety, and software assurance. We provide insight into how the MBSE modeling tools can be used to define S&MA processes (ideally as a result of Use Case [1] elaboration of processes represented in MagicDraw®), produce S&MA products (ViewEditor output of various items), and represent S&MA disciplines (S&MA inside of MagicDraw). We also provide insight into the degree to which some elements can be directly integrated into a SysML® model and when, as often happens, an interface to some external source must be provided. The desirability of this future is part of the reason for the NASA Office of Safety and Mission Assurance’s (OSMA) recent creation of a Model Based Mission Assurance (MBMA) Program [2] and the MBMA annual workshops. We briefly summarize the efforts to date to generate S&MA Use Cases for eventual deployment into pilot and project efforts. Even simple use of the SysML modeling tools can be used to capture quality assurance tasks and integrate them with the systems engineering and produce products that are easy to use by quality practitioners that are unfamiliar with these methods. We anticipate finding opportunities to pilot and implement various Quality Assurance (QA) Use Cases in FY20. The MBMA Program is focused on implementation; the NASA Office of the Chief Engineer's Community of Practice, as well as the SmallSat communities, are very interested in the integration of S&MA. Finally, as projects move forward utilizing whatever efficiency increases they can find in a cost-constrained environment, the S&MA community cannot be caught unawares and needs to continue preparing for the ever-growing implementation of MBSE across NASA and our government and commercial partners.

Evans, John W↗