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At least 235 records · Page 13

Mass Economy Evaluation for Integrated ECLSS and Propulsion Architecture

As missions in Low Earth Orbit (LEO) lengthen and extend to deep space, minimizing resupply needs becomes vital for sustaining crewed operations. Traditional life support systems depend on consumables resupplied from Earth, a method that is increasingly impractical for missions beyond LEO, such as lunar outposts or Mars transit. Long-duration missions require more efficient, autonomous systems that can recycle essential resources, particularly water and oxygen, to minimize the frequency and mass of resupply missions. The Environmental Control and Life Support System (ECLSS) is essential to such missions, with the International Space Station (ISS) serving as a testbed for advanced water recovery and partial oxygen recycling via physico-chemical methods. Yet, ECLSS and propulsion subsystems generally operate independently, despite overlapping requirements and potential areas for synergy. For instance, ECLSS byproducts, water, CO₂, and hydrogen, could be repurposed for propulsion, potentially reducing dedicated propellant mass and increasing overall system efficiency. One promising approach is to develop shared-resource architectures that integrate ECLSS with propulsion systems. This study examines the potential of such integration through the Sabatier CO₂ reduction process, focusing on water management as a key factor in system mass trade-offs. The Sabatier reaction produces water and methane from metabolic CO₂ and electrolytic hydrogen, partially closing the life support loop and providing methane, which could serve as a propellant. This integration could minimize waste, reduce resupply requirements, and enhance mission mass efficiency. A dynamic modeling framework will be used to simulate resource flows over long missions, capturing interactions between life support and propulsion. By comparing integrated versus separate system configurations, the study aims to quantify mass benefits and penalties, informing future habitat designs and trade studies for missions prioritizing autonomy and mass efficiency.

ECLSS↗

Mass Economy Evaluation for Integrated ECLSS and Propulsion Architecture

As missions in low Earth orbit (LEO) lengthen and extend to deep space, minimizing resupply needs becomes vital for sustaining crewed operations. Traditional life support systems depend on consumables resupplied from Earth, a method that is increasingly impractical for missions beyond LEO, such as lunar outposts or Mars transit. Long-duration missions require more efficient, autonomous systems that can recycle essential resources, particularly water and oxygen, to minimize the frequency and mass of resupply missions. The Environmental Control and Life Support System (ECLSS) is essential to such missions, with the International Space Station (ISS) serving as a testbed for advanced water recovery and partial oxygen recycling via physico-chemical methods. Yet, ECLSS and propulsion subsystems generally operate independently, despite overlapping requirements and potential areas for synergy. For instance, ECLSS byproducts, water, CO 2 , and hydrogen, could be repurposed for propulsion, potentially reducing dedicated propellant mass and increasing overall system efficiency. One promising approach is to develop shared-resource architectures that integrate ECLSS with propulsion systems. This study examines the potential of such integration through the Sabatier CO₂ reduction process, focusing on water management as a key factor in system mass trade-offs. The Sabatier reaction produces water and methane from metabolic CO 2 and electrolytic hydrogen, partially closing the life support loop and providing methane, which could serve as a propellant. This integration could minimize waste, reduce resupply requirements, and enhance mission mass efficiency. A dynamic modeling framework will be used to simulate resource flows over long missions, capturing interactions between life support and propulsion. By comparing integrated versus separate system configurations, the study aims to quantify mass benefits and penalties, informing future habitat designs and trade studies for missions prioritizing autonomy and mass efficiency.

ECLSS↗

Computations of Combustion-Powered Actuation for Dynamic Stall Suppression

A computational framework for the simulation of dynamic stall suppression with combustion-powered actuation (COMPACT) is validated against wind tunnel experimental results on a VR-12 airfoil. COMPACT slots are located at 10% chord from the leading edge of the airfoil and directed tangentially along the suction-side surface. Helicopter rotor-relevant flow conditions are used in the study. A computationally efficient two-dimensional approach, based on unsteady Reynolds-averaged Navier-Stokes (RANS), is compared in detail against the baseline and the modified airfoil with COMPACT, using aerodynamic forces, pressure profiles, and flow-field data. The two-dimensional RANS approach predicts baseline static and dynamic stall very well. Most of the differences between the computational and experimental results are within two standard deviations of the experimental data. The current framework demonstrates an ability to predict COMPACT efficacy across the experimental dataset. Enhanced aerodynamic lift on the downstroke of the pitching cycle due to COMPACT is well predicted, and the cycleaveraged lift enhancement computed is within 3% of the test data. Differences with experimental data are discussed with a focus on three-dimensional features not included in the simulations and the limited computational model for COMPACT.

Jee, Solkeun↗

Designing Agent Collectives For Systems With Markovian Dynamics

The "Collective Intelligence" (COIN) framework concerns the design of collectives of agents so that as those agents strive to maximize their individual utility functions, their interaction causes a provided "world" utility function concerning the entire collective to be also maximized. Here we show how to extend that framework to scenarios having Markovian dynamics when no re-evolution of the system from counter-factual initial conditions (an often expensive calculation) is permitted. Our approach transforms the (time-extended) argument of each agent's utility function before evaluating that function. This transformation has benefits in scenarios not involving Markovian dynamics, in particular scenarios where not all of the arguments of an agent's utility function are observable. We investigate this transformation in simulations involving both linear and quadratic (nonlinear) dynamics. In addition, we find that a certain subset of these transformations, which result in utilities that have low "opacity (analogous to having high signal to noise) but are not "factored" (analogous to not being incentive compatible), reliably improve performance over that arising with factored utilities. We also present a Taylor Series method for the fully general nonlinear case.

Wolpert, David H.↗

Designing Agent Collectives For Systems With Markovian Dynamics

The Collective Intelligence (COIN) framework concerns the design of collectives of agents so that as those agents strive to maximize their individual utility functions, their interaction causes a provided world utility function concerning the entire collective to be also maximized. Here we show how to extend that framework to scenarios having Markovian dynamics when no re-evolution of the system from counter-factual initial conditions (an often expensive calculation) is permitted. Our approach transforms the (time-extended) argument of each agent's utility function before evaluating that function. This transformation has benefits in scenarios not involving Markovian dynamics of an agent's utility function are observable. We investigate this transformation in simulations involving both hear and quadratic (nonlinear) dynamics. In addition, we find that a certain subset of these transformations, which result in utilities that have low opacity (analogous to having high signal to noise) but are not factored (analogous to not being incentive compatible), reliably improve performance over that arising with factored utilities. We also present a Taylor Series method for the fully general nonlinear case.

Wolpert, David H.↗

Building a Prospective LCA Framework to Analyze Emerging Technologies in a Dynamic System Context

NREL's Lifecycle Analysis Integration into Opensource Numerical models (LiAISON) framework computes temporally explicit life cycle impacts and resource uses for specific technologies (foreground) in a dynamic system context (background). LiAISON computes results for a series of environmental mid-points enabling an analysis of prospective tradeoffs of emerging technologies toward 2100. This prospective feature is of critical importance when analyzing present-day emerging technologies whose large-scale impacts during deployment phases will occur in different, future system contexts. LiAISON systematically accounts for dynamic system changes by applying an integrated background of the future energy-economy-land-climate system, generated by exogenous integrated assessment models (IAMs). Using IAM scenarios, LiAISON generates a time-series of life cycle inventory (LCI) databases, which are then used to calculate the impacts per functional unit per time step. This expands current practice of using static, future system assumptions, e.g., a specific grid-mix each year. Further, IAM scenarios are provided in a standardized format of shared-socioeconomic pathways (SSP) and representative concentration pathways (RCP) combinations. These are coherent, regularly, published, and peer-reviewed scenario combinations that establish a reproducible and standardized societal and climate mitigation futures context. They are comparable across IAMs and expand the system boundary of the traditional LCA by including dimensions such as societal and behavioral changes. We apply the framework to assess two emerging Power-to-Hydrogen processes, high temperature electrolysis using solid oxide fuel cell (HT-SOE) and polymer electrolyte membrane electrolysis (PEME). We compare the technologies to a baseline Hydrogen production process via steam methane reforming. Despite the decarbonized electricity systems' beneficial effects on the PtH2 processes' carbon intensities, we find environmental tradeoffs, which require technology improvements via learning-by-doing to be alleviated. Future work via ongoing collaborations will focus on linking the framework to other energy-economy-land-climate models and open-source life cycle inventory databases.

ENERGY PLANNING, POLICY, AND ECONOMY↗

Exploring the Structural, Dynamic, and Functional Properties of Metal–Organic Frameworks through Molecular Modeling

This review spotlights the role of atomic-level modeling in research on metal-organic frameworks (MOFs), especially the key methodologies of density functional theory (DFT), Monte Carlo (MC) simulations, and molecular dynamics (MD) simulations. The discussion focuses on how periodic and cluster-based DFT calculations can provide novel insights into MOF properties, with a focus on predicting structural transformations, understanding thermodynamic properties and catalysis, and providing information or properties that are fed into classical simulations such as force field parameters or partial charges. Classical simulation methods, highlighting force field selection, databases of MOFs for high-throughput screening, and the synergistic nature of MC and MD simulations, are described. By predicting equilibrium thermodynamic and dynamic properties, these methods offer a wide perspective on MOF behavior and mechanisms. Additionally, the incorporation of machine learning (ML) techniques into quantum and classical simulations is discussed. These methods can enhance accuracy, expedite simulation setup, reduce computational costs, as well as predict key parameters, optimize geometries, and estimate MOF stability. By charting the growth and promise of computational research in the MOF field, the aim is to provide insights and recommendations to facilitate the incorporation of computational modeling more broadly into MOF research.

36 MATERIALS SCIENCE↗

Plant-specific Model and Data Analysis using Dynamic Security Modeling and Simulation

The requirements for U.S. nuclear power plants to maintain a large on-site physical security force contribute to their high operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability (LWRS) program’s physical security pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. The conservatisms built into current security postures may be analyzed and minimized in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within LWRS program’s physical security pathway has successfully developed a dynamic force-on-force modeling framework using various computer simulation tools and integrating them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an update on the progress in applying a dynamic computational framework that links results from a commercially available force-on-force simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This report is only a summary of the progress and does not contain specific modeling results as those contain sensitive security information. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework or MASS-DEF. Previous reports described how a user could integrate their plant-specific force-on-force models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as CAFTA (Computer Aided Fault Tree Analysis System) or SAPHIRE (Systems Analysis Programs for Hands-on Integrated Reliability Evaluations), and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. This report does not contain any plant's sensitive information and/or Safeguards Information. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance on the use of the framework. This assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Free-energy estimates from nonequilibrium trajectories under varying-temperature protocols

The Jarzynski equality allows the calculation of free-energy differences using values of work measured from nonequilibrium trajectories. The number of trajectories required to accurately estimate free-energy differences in this way grows sharply with the size of work fluctuations, motivating the search for protocols that perform desired transformations with minimum work. However, protocols of this nature can involve varying temperature, to which the Jarzynski equality does not apply. Here, we derive a variant of the Jarzynski equality that applies to varying-temperature protocols, and show that it can have better convergence properties than the standard version of the equality. We derive this modified equality and the associated fluctuation relation within the framework of Markovian stochastic dynamics, complementing related derivations done within the framework of Hamiltonian dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Simulating and Evaluating Atmospheric River-Induced Precipitation Extremes Along the U.S. Pacific Coast: Case Studies From 1980–2017

Atmospheric rivers (ARs) are responsible for a majority of extreme precipitation and floodevents along the U.S. West Coast. To better understand the present-day characteristics of AR-relatedprecipitation extremes, a selection of nine most intense historical AR events during 1980–2017 is simulatedusing a dynamical downscaling modeling framework based on the Weather Research and ForecastingModel. We find that the chosen framework and Weather Research and Forecasting Model configurationreproduces both large-scale atmospheric features—including parent synoptic-scale cyclones—as well asthe filamentary corridors of integrated vapor transport associated with the ARs themselves. The accuracyof simulated extreme precipitation maxima, relative to in situ and interpolated gridded observations,improves notably with increasing model resolution, with improvements as large as 40–60% for fine scale(3 km) relative to coarse-scale (27 km) simulations. A separate set of simulations using smoothedtopography suggests that much of these gains stem from the improved representation of complex terrain.Additionally, using the 12 December 1995 storm in Northern California as an example, we demonstratethat only the highest-resolution simulations resolve important fine-scale features—such as localizedorographically forced vertical motion and powerful near hurricane-force boundary layer winds. Given thedemonstrated ability of a targeted dynamical downscaling framework to capture both local extremeprecipitation and key fine-scale characteristics of the most intense ARs in the historical record, we arguethat such a configuration may be highly conducive to understanding AR-related extremes and associatedchanges in a warming climate

54 ENVIRONMENTAL SCIENCES↗

Evaluation of Physical Security Risk for Potential Implementation of FLEX using Dynamic Simulation Methods

The requirements for United States nuclear power plants to maintain a large onsite physical security force contribute to their large operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability Program Physical Security Pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. This pathway will analyze and minimize the conservatisms built into current security postures in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within this pathway has successfully developed a dynamic force-on-force (FOF) modeling framework using various computer simulation tools and integrated them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an overview of lessons learned in applying a dynamic computational framework that links results from a commercially available FOF simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework. Previous reports described how a user could integrate their plant-specific FOF models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as Computer Aided Fault Tree Analysis System or Systems Analysis Programs for Hands-on Integrated Reliability Evaluations, and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance of the use of the framework. Such an assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants. NOTE: The work performed in this report is based on a generic EMRALD model with actual plant data used for the analysis. However, only the generic model and general results of the analysis are in the report. No plant’s sensitive information is discussed in this report. The discussion shows examples of insights that can be obtained from the MASS-DEF methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Methodology and Application of Physical Security Effectiveness Based on Dynamic Force-on-Force Modeling

This report describes the research and development being performed at INL towards a dynamic modeling and simulation framework to enable physical security optimization at commercial nuclear power plants. The framework is based on the dynamic modeling tool EMRALD and is demonstrated for applications that can result in physical security optimization. Two main applications are presented: 1. Integrating FLEX portable equipment performance with FOF models of a plant’s physical security posture, and 2. Location optimization of bullet resistant enclosure. The generic framework for modeling FLEX portable equipment is described in detail, followed by a case study modeling an adversarial attack aimed at causing a radiological release by sabotaging the plant’s power supply and its ultimate heat sink capabilities at a hypothetical PWR. Two distinct FLEX deployment strategies, series and parallel, are modeled with distinct timelines. The results of the adversarial attack modeled in a commercial FOF tool, AVERT, are integrated with the FLEX deployment model in EMRALD. Monte Carlo simulation is used to model the distribution of the timeline in FLEX deployment strategies. Thermal-hydraulic analysis of FLEX performance is performed in RELAP5 and integrated with the EMRALD simulations to provide more realistic timelines in the models. The results demonstrate that, even in the extreme case of a successful adversarial attack, deployment of FLEX equipment can result in a significantly high likelihood of preventing radiological release. The modeling and simulation framework of integrating FLEX equipment with FOF models enables the NPPs to credit FLEX portable equipment in the plant security posture, resulting in an efficient and optimized physical security. The objective of location optimization of BRE is to determine the best location in the plant for a new BRE being planned by the plant to enhance their physical security effectiveness. The plant physical security FOF model is integrated with EMRALD that performs Monte Carlo simulation to run different attack scenarios and a discrete set of potential BRE locations. Sensitivity analysis is used to determine the most effective location for the BRE. The optimization approach can be extended to wide applications such as location optimization of remotely operated weapons and other strategic fixed assets.

97 MATHEMATICS AND COMPUTING↗

A new simulation model building process for use in dynamic systems integration research

A framework to build simulation models for aircraft dynamic systems integration is described. The objective of the framework is increased simulation model fidelity and reduced time required to develop and modify these models. The equations of motion for an elastic aircraft and their impact on the framework are discussed in broad terms. A software tool which automatically generates FORTRAN routines for tabular data lookups, the language used to develop a simulation model, and the structures for passing information into a simulation are discussed. A simulation variable nomenclature is presented. The framework has been applied to build an open-loop F/A-18 simulation model. This example model is used to illustrate model reduction issues. Current deficiencies in the framework are identified as areas for future research.

Arbuckle, P. Douglas↗

Dynamic Load Balancing For Grid Partitioning on a SP-2 Multiprocessor: A Framework

Computational requirements of full scale computational fluid dynamics change as computation progresses on a parallel machine. The change in computational intensity causes workload imbalance of processors, which in turn requires a large amount of data movement at runtime. If parallel CFD is to be successful on a parallel or massively parallel machine, balancing of the runtime load is indispensable. Here a framework is presented for dynamic load balancing for CFD applications, called Jove. One processor is designated as a decision maker Jove while others are assigned to computational fluid dynamics. Processors running CFD send flags to Jove in a predetermined number of iterations to initiate load balancing. Jove starts working on load balancing while other processors continue working with the current data and load distribution. Jove goes through several steps to decide if the new data should be taken, including preliminary evaluate, partition, processor reassignment, cost evaluation, and decision. Jove running on a single IBM SP2 node has been completely implemented. Preliminary experimental results show that the Jove approach to dynamic load balancing can be effective for full scale grid partitioning on the target machine IBM SP2.

Sohn, Andrew↗

Dynamic Load Balancing for Grid Partitioning on a SP-2 Multiprocessor: A Framework

Computational requirements of full scale computational fluid dynamics change as computation progresses on a parallel machine. The change in computational intensity causes workload imbalance of processors, which in turn requires a large amount of data movement at runtime. If parallel CFD is to be successful on a parallel or massively parallel machine, balancing of the runtime load is indispensable. Here a framework is presented for dynamic load balancing for CFD applications, called Jove. One processor is designated as a decision maker Jove while others are assigned to computational fluid dynamics. Processors running CFD send flags to Jove in a predetermined number of iterations to initiate load balancing. Jove starts working on load balancing while other processors continue working with the current data and load distribution. Jove goes through several steps to decide if the new data should be taken, including preliminary evaluate, partition, processor reassignment, cost evaluation, and decision. Jove running on a single EBM SP2 node has been completely implemented. Preliminary experimental results show that the Jove approach to dynamic load balancing can be effective for full scale grid partitioning on the target machine IBM SP2.

Sohn, Andrew↗

Resurrecting low-mass axion dark matter via a dynamical QCD scale

In the framework where the strong coupling is dynamical, the QCD sector may confine at a much higher temperature than it would in the Standard Model, and the temperature-dependent mass of the QCD axion evolves in a non-trivial way. We find that, depending on the evolution of Λ QCD , the axion field may undergo multiple distinct phases of damping and oscillation leading generically to a suppression of its relic abundance. Such a suppression could therefore open up a wide range of parameter space, resurrecting in particular axion dark-matter models with a large Peccei-Quinn scale f a $\gg$ 10 12 GeV, i.e., with a lighter mass than the standard QCD axion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗