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DOE OSTI2025

Quality Guidelines for Energy System Studies: Process Modeling Design Parameters

The National Energy Technology Laboratory (NETL) conducts systems analysis studies that require a large number of inputs, from ambient conditions to parameters for Aspen Plus ® (Aspen) process blocks. The sheer number of assumptions required makes it impractical to document all of them in each issued report. The purpose of the Quality Guidelines for Energy System Studies (QGESS) is to document the assumptions most commonly used in system analysis studies and the basis for those assumptions. In order to develop the systems analysis models presented in various NETL reports, significant vendor data have been obtained, and these data enhance the model outputs. Much of the vendor data obtained are considered proprietary and not suitable for public release or attribution to a specific vendor. As such, several sub-systems common in NETL reports and their process parameter data are not reported in this document to protect proprietary vendor information. The values and ranges of values presented in this report represent assumptions that have been made in previous studies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Unraveling Hydrogen Induced Geochemical Reaction Mechanisms through Coupled Geochemical Modeling and Machine Learning

Underground hydrogen storage (UHS) provides a promising large-scale, long-term energy storage solution. A reasonable recovery of stored hydrogen is critical for a successful storage scheme. However, in subsurface reservoirs hydrogen is subject to active geochemical reactions that might result in hydrogen loss. In this study, we implemented a geochemical modeling approach coupled with an unsupervised machine learning technique called non-negative matrix factorization (NMF) to unravel the complex brine-rock-H 2 geochemical processes responsible for hydrogen losses, with particular focus on sulfate reduction reactions. NMF is applied to modeled mineral evolution and fluid component profiles to retrieve profiles that can be interpreted to more easily assess competing processes. NMF decouples simulated competing equilibrium reactions. This facilitates separation of overlapping reaction profiles from redox processes, dissolution fronts, and secondary precipitation while considering the effects of simulation parameters such as salinity, temperature, and total H 2 pressure. NMF successfully discriminates these competing effects in nonlinear ways, allowing robust interpretation. In addition, NMF reveals subtle coupled mineral associations and reaction fronts that are invisible to conventional model analysis. This integrated approach strengthens the conceptual understanding of complex nonlinear hydrogen-brine-rock interactions and advances geochemical research on UHS systems to resolve complexities in modeled geochemical systems without the need for direct experiments or prior knowledge. Furthermore, this study highlights the efficacy of combining geochemical modeling with machine learning techniques to enhance the interpretability of the intricate geochemical simulation output through deciphering the overlapping reaction path that cannot be achieved only using conventional analysis of geochemical models alone.

08 HYDROGEN↗

DOE OSTI2024

Impacts of Forest Management-Induced Productivity Changes on Future Land Use and Land Cover Change

Anthropogenic land use and land cover change (LULCC) is projected to continue in the future. However, the influence of forest management on forest productivity change and subsequent LULCC projections remains under-investigated. This study explored the impacts of forest management-induced change in forest productivity on LULCC throughout the 21st century. Specifically, we developed a framework to softly couple the Global Change Analysis Model and Global Timber Model to consider forest management-induced forest productivity change and projected future LULCC across the five Shared Socioeconomic Pathways (SSPs). We found future increases in forest management intensity overall drive the increase of forest productivity. The forest management-induced forest productivity change shows diverse responses across all SSPs, with a global increase from 2015 to 2100 ranging from 3.9% (SSP3) to 8.8% (SSP1). This further leads to an overall decrease in the total area with a change of land use types, with the largest decrease under SSP1 (-7.5%) and the smallest decrease under SSP3 (-0.7%) in 2100. Among land use types, considering forest management-induced change significantly reduces the expansion of managed forest and also reduces the loss of natural land in 2100 across SSPs. This suggests that ignoring forest management-induced forest productivity change underestimates the efficiency of wood production, overestimates the managed forest expansion required to meet the future demand, and consequently, potentially introduces uncertainties into relevant analyses, for example, carbon cycle and biodiversity. Thus, we advocate to better account for the impacts of forest management in future LULCC projections.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2009

Gender Differences in Baroreflex Sensitivity after Bed Rest

Two potential contributing factors to post-spaceflight orthostatic intolerance are decreases in baroreflex sensitivity (BRS) and sympathetic nervous system response. The purpose of this study was to examine the shape of the BRS curve and sympathetic response to a wide range of blood pressures (BP) before and during 6 head-down bed rest (BR). METHODS: Normal volunteers were tested one day before BR (20M, 1 0F) and near BR days 30 (20M, 10F), 60 (16M, 8F), and 90 (1 0M, 5F). BP was pharmacologically manipulated by 10-min infusions of phenylephrine (PE) and sodium nitroprusside (SNP) at 3 increasing concentrations with a 20-min rest between PE and SNP. Electrocardiogram and continuous finger blood pressure were recorded. A blood sample was drawn at the end of each infusion to measure plasma norepinephrine levels. The spontaneous baroreflex slope (SBS), a measure of BRS, was calculated as the slope of a sequence of 3 or more beats in which the systolic BP (SBP) and following R-R interval (RR) both increased or decreased. The data included saturated responses at the upper but not the lower end of the BP range. Mean response curves were constructed using second-order mixed model analysis. Results are based on term significance in the models. RESULTS RR: RR was lower during BR than pre BR (p<0.001). Pre BR males were modeled by a linear RR response to SBP (p=0.000) while females had a quadratic response which saturated at high SBP (p=0.019). By day 30, both genders were modeled by a linear response; compared to males, females had an attenuated (lower slope) RR response to changes in SBP (p=0.031). SBS: SBS vs SBP analysis showed a lower SBS during BR (p<0.001) when compared to pre BR. Females had a higher SBS than males pre BR (p=0.006). Females exhibited saturating SBS at higher SBP (p=0.016) on day 30, while males were modeled by a linear SBS response to SBP (p=0.035). NE: Females had different NE response to diastolic BP than males pre BR (p=0.035) and on day 30 (p=0.005). CONCLUSION: NE, RR and SBS responses to BP are affected by gender and BR. Not only do gender and BR baseline differences exist, but gender and BR also influence the slope and saturation of the BRS curves. Attenuated and saturating RR and SBS responses, as well as differences in baseline values, may contribute to the higher rates of orthostatic intolerance in women and after bed rest.

Arzeno, Natalia M.↗

DOE OSTI2025

Building High-Energy Silicon-Containing Batteries Using Off-The-Shelf Materials

The technology of silicon anodes appears to be reaching maturity, with high-energy Si cells already in pilot-scale production. However, the performance of these systems can be difficult to replicate in academic settings, making it challenging to translate research findings into solutions that can be implemented by the battery industry. Part of this difficulty arises from the lack of access to engineered Si particles and anodes, as electrode formulations and the materials themselves have become valuable intellectual property for emerging companies. Here, we summarize the efforts by Argonne’s Cell Analysis, Modeling, and Prototyping (CAMP) Facility in developing Si-based prototypes made entirely from commercially available materials. We describe the many challenges we encountered when testing high-loading electrodes (>5 mAh cm −2 ) and discuss strategies to mitigate them. With the right electrode and electrolyte design, we show that our pouch cells containing ≥ 70 wt% SiO x can achieve 600–1,000 cycles at C/3 and meet projected energy targets of 700 Wh L −1 and 350 Wh kg −1 . These results provide a practical reference for research teams seeking to advance silicon-anode development using accessible materials.

25 ENERGY STORAGE↗

NASA NTRS1990

A macro-micromechanics analysis of a notched metal matrix composite

A macro-micromechanics analysis was formulated to determine the matrix and fiber behavior near the notch tip in a center-notched metal matrix composite. Results are presented for a boron/aluminum monolayer. The macro-level analysis models the entire notched specimen using a three dimensional finite element program which uses the vanishing-fiber-diameter model to model the elastic-plastic behavior of the matrix and the elastic behavior of the fiber. The micro-behavior is analyzed using a Discrete Fiber-Matrix (DFM) model containing one fabric and the surrounding matrix. The dimensions of the DFM model were determined by the ply thickness and the fiber volume fraction and corresponded to the size of the notch-tip element in the macro-level analysis. The boundary conditions applied to the DFM model were determined from the macro-level analysis. Stress components within the DFM model were calculated and stress distributions are presented along selected planes and surfaces within the DFM model, including the fiber-matrix interface. Yielding in the matrix was examined at the notch tip in both the macro- and micro-level analyses. The DFM model predicted higher stresses (24 percent) in the fiber compared to the global analysis. In the notch-tip element, the interface stresses indicated that a multi-axial criterion may be required to predict interfacial failure. The DFM analysis predicted yielding to initiate in the notch-tip element at a stress level 28 percent lower than predicted by the global analysis.

Bigelow, C. A.↗

DOE OSTI2025

A framework for testing soil carbon dynamics post land-use transition in a multisector dynamics model

Soil carbon plays a crucial role in the global carbon cycle. Changes in land use can determine whether carbon is stored or is emitted into the atmosphere as carbon dioxide, which has broad implications for the human and Earth systems. These feedbacks to the carbon cycle and their socio-economic drivers are modelled by many global multisector dynamics models to project future possibilities for the human-Earth system. One notable model of this class is the Global Change Analysis Model (GCAM), which uses a simplified process to model soil organic carbon (SOC) content after land-use transition across 384 land units. While the current GCAM soil carbon framework is based on scientific principles, it has not been tested against experimental data. This work examines rates of SOC change from GCAM input data. Specifically, first order rate constants derived from model inputs were compared to values from two syntheses to assess GCAM’s accuracy. Welch’s t-tests and linear models were used to determine if rate constants were consistent across all tested geographical areas and land-use transition types. While we found that there was general agreement on the direction and magnitude (i.e., rate) of SOC change, the rate constant derived from GCAM and empirical values differed strongly in a subset of specific instances. These results indicate that GCAM’s current SOC dynamics during land use transition successfully capture broad patterns of change in this critical carbon pool, but should be interpreted with caution at finer spatial scales. One potential cause of these discrepancies is our highly aggregated variable, soil timescale, which could be made more granular to improve accuracy. When using economically rooted multisector dynamics models, such as GCAM, it is critical to understand such model limitations for representing specific Earth system processes.

carbon↗

NASA NTRS1984

Use of Linear Perspective Scene Cues in a Simulated Height Regulation Task

As part of a long-term effort to quantify the effects of visual scene cuing and non-visual motion cuing in flight simulators, an experimental study of the pilot's use of linear perspective cues in a simulated height-regulation task was conducted. Six test subjects performed a fixed-base tracking task with a visual display consisting of a simulated horizon and a perspective view of a straight, infinitely-long roadway of constant width. Experimental parameters were (1) the central angle formed by the roadway perspective and (2) the display gain. The subject controlled only the pitch/height axis; airspeed, bank angle, and lateral track were fixed in the simulation. The average RMS height error score for the least effective display configuration was about 25% greater than the score for the most effective configuration. Overall, larger and more highly significant effects were observed for the pitch and control scores. Model analysis was performed with the optimal control pilot model to characterize the pilot's use of visual scene cues, with the goal of obtaining a consistent set of independent model parameters to account for display effects.

Levison, W. H.↗

NASA NTRS1989

Space Station Solar Dynamic Module modelling and simulation

Efforts to model and simulate the Solar Dynamic Power Module (SDPM) for the Space Station are discussed. The SDPM configuration is given and the SDPM subsytems are described, including the concentrator assembly, the fine pointing and tracking system, the power generation system, the heat rejection assembly, the electrical equipment, the interface structure and integration hardware, and the beta gimbal assembly. Performance requirements and design considerations are given. The development of models to simulate the SDPM is examined, noting research on models such as the Electric Power System Transient Analysis Model, the Electric Power System on Orbit Performance model, and a spatial flux distribution function.

Tylim, A.↗

NASA NTRS2011

Slosh Baffle Design and Test for Spherical Liquid Oxygen and Liquid Methane Propellant Tank for a Lander

A Vertical Test Bed (VTB) is being developed to investigate exploration technologies with earth-based landing trajectories. During this activity, a concern emerged that the VTB, with large liquid tanks, could experience unstable slosh interaction between the propellant fluid motion and the control system, leading to an investigation of slosh characteristics of the VTB. As such, slosh modeling, analysis and testing were performed, that both verified models and lead to the conclusion that baffles would be required for the full-scale vehicle. Follow-on design and testing supported development of these baffles and measurement of their performance. The majority of the tests conducted, including both subscale and full, involved the use of clear tanks containing water as a reasonable substitute for the cryogenic propellants, though a few tests involved the actual liquid oxygen and methane. Along the way, some unique test and data recording methods were employed to reduce testing complexity and cost.

Strahan, Alan↗

NASA NTRS1988

A review of various flow-solid interaction analysis methods with emphasis on recent advances in turbulence models and flow analysis methods

A review on various experimental, analytical, and numerical methods for the flow-solid interaction of a nest of cylinders subjected to cross flow is presented in this paper. In order to assess the possibility of initiating a development of major numerical analysis method for flow-solid interaction of a nest of cylinders in cross flows, a review on various turbulence models, numerical methods such as the finite element method and the finite difference method, and the available numerical methods for flow-solid interactions have been included in this paper. A multiple-time-scale turbulence model for complex turbulent flows and a finite element method for high Reynolds number flows have been introduced herein for the same reason.

Kim, S.-W.↗

NASA NTRS2001

A Software Tool for Integrated Optical Design Analysis

Design of large precision optical systems requires multi-disciplinary analysis, modeling, and design. Thermal, structural and optical characteristics of the hardware must be accurately understood in order to design a system capable of accomplishing the performance requirements. The interactions between each of the disciplines become stronger as systems are designed lighter weight for space applications. This coupling dictates a concurrent engineering design approach. In the past, integrated modeling tools have been developed that attempt to integrate all of the complex analysis within the framework of a single model. This often results in modeling simplifications and it requires engineering specialist to learn new applications. The software described in this presentation addresses the concurrent engineering task using a different approach. The software tool, Integrated Optical Design Analysis (IODA), uses data fusion technology to enable a cross discipline team of engineering experts to concurrently design an optical system using their standard validated engineering design tools.

Moore, Jim↗

NASA NTRS1985

Theoretical and software considerations for general dynamic analysis using multilevel substructured models

The dynamic analysis of complex structural systems using the finite element method and multilevel substructured models is presented. The fixed-interface method is selected for substructure reduction because of its efficiency, accuracy, and adaptability to restart and reanalysis. This method is extended to reduction of substructures which are themselves composed of reduced substructures. The implementation and performance of the method in a general purpose software system is emphasized. Solution algorithms consistent with the chosen data structures are presented. It is demonstrated that successful finite element software requires the use of software executives to supplement the algorithmic language. The complexity of the implementation of restart and reanalysis porcedures illustrates the need for executive systems to support the noncomputational aspects of the software. It is shown that significant computational efficiencies can be achieved through proper use of substructuring and reduction technbiques without sacrificing solution accuracy. The restart and reanalysis capabilities and the flexible procedures for multilevel substructured modeling gives economical yet accurate analyses of complex structural systems.

Schmidt, R. J.↗

DOE OSTI2025

Modeling Small Modular Reactors in GCAM

This study uses the Global Change Analysis Model (GCAM) to examine the critical role and future of nuclear energy in the global energy system, with a focus on the United States. We also analyzed the U.S. government’s new strategic vision for the nuclear energy sector.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2009

Spherical Harmonic Analysis of Particle Velocity Distribution Function: Comparison of Moments and Anisotropies using Cluster Data

This paper presents a spherical harmonic analysis of the plasma velocity distribution function using high-angular, energy, and time resolution Cluster data obtained from the PEACE spectrometer instrument to demonstrate how this analysis models the particle distribution function and its moments and anisotropies. The results show that spherical harmonic analysis produced a robust physical representation model of the velocity distribution function, resolving the main features of the measured distributions. From the spherical harmonic analysis, a minimum set of nine spectral coefficients was obtained from which the moment (up to the heat flux), anisotropy, and asymmetry calculations of the velocity distribution function were obtained. The spherical harmonic method provides a potentially effective "compression" technique that can be easily carried out onboard a spacecraft to determine the moments and anisotropies of the particle velocity distribution function for any species. These calculations were implemented using three different approaches, namely, the standard traditional integration, the spherical harmonic (SPH) spectral coefficients integration, and the singular value decomposition (SVD) on the spherical harmonic methods. A comparison among the various methods shows that both SPH and SVD approaches provide remarkable agreement with the standard moment integration method.

Gurgiolo, Chris↗

NASA NTRS2009

The GLACE-2 Experiment

A major motivation for the study of the coupled land-atmosphere system is the idea that soil moisture anomalies may affect future meteorological variables through their effects on future surface energy and water budgets. If true, the accurate initialization of soil moisture in a subseasonal or seasonal forecast system may improve forecast skill, making the forecast products more valuable to society. The Global Land-Atmosphere Coupling Experiment (GLACE-2) project is examining, with a wide variety of models, the degree to which subseasonal (out to two months) precipitation and air temperature forecasts improve through the realistic initialization of soil moisture. For the first time ever, a global consensus should emerge regarding the value of land initialization for forecasts, perhaps motivating national forecast centers to make full use of land moisture initialization in their operations. Participants in GLACE-2 perform two series of forecasts, each consisting of 100 2-month forecast ensembles (10 members per ensemble) covering ten boreal spring and summer start-dates in each of the years 1986-1995. Series 1 utilizes realistic land surface state initialization, provided through a decadal offline simulation using realistic meteorological forcing, as provided by the Global Soil Wetness Project - Phase 2 (GSWP-2), a research activity of the Global Land-Atmosphere System Study (GLASS) of GEWEX. Series 2 is identical to Series 1 in every way except for the fact that it does not benefit from realistic land state initialization. Through the comparison of Series 1 and 2, we isolate the impact of land initialization on the forecasts. Optional extensions to these base runs include forecasts covering additional years, using alternative meteorological forcing for the land initialization. To date, GLACE-2 has garnered participation from eleven modeling groups, covering 13 atmospheric models. Analysis of available results is already well underway, both at the individual modeling institutions and at the NASA Goddard Space Flight Center, which is coordinating the project. Analysis focuses on two elements of the forecast problem: (i) the quantification of model-specific "predictability" (i.e., the degree to which simulated atmospheric chaos will foil a forecast, even under the assumption of"perfect" model physics, initialization data, and validation data) and its decay with time; and (ii) the quantification of forecast skill, determined through a comparison of predicted precipitation and air temperature against observations. Indeed, the specific contribution of land initialization to both these elements is isolated through a comparison of the Series 1 and 2 forecasts. We examine the two elements at four different forecast leads: 1-15, 16-30, 31-45, and 46-60 days. Statistics-based approaches for enhancing skill (essentially using observational statistics to reduce the impact of the models' climatic biases) are also tested. In the present talk, we provide an update of progress in GLACE-2, featuring quantifications of predictability and forecast skill for a number of the participating models and providing a "first look" at the desired consensus view of land impacts on subseasonal forecasts.

Koster, Randal↗

NASA NTRS2013

Session 6: Dynamic Modeling and Systems Analysis

These presentations cover some of the ongoing work in dynamic modeling and dynamic systems analysis. The first presentation discusses dynamic systems analysis and how to integrate dynamic performance information into the systems analysis. The ability to evaluate the dynamic performance of an engine design may allow tradeoffs between the dynamic performance and operability of a design resulting in a more efficient engine design. The second presentation discusses the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a Simulation system with a library containing the basic building blocks that can be used to create dynamic Thermodynamic Systems. Some of the key features include Turbo machinery components, such as turbines, compressors, etc., and basic control system blocks. T-MAT is written in the Matlab-Simulink environment and is open source software. The third presentation focuses on getting additional performance from the engine by allowing the limit regulators only to be active when a limit is danger of being violated. Typical aircraft engine control architecture is based on MINMAX scheme, which is designed to keep engine operating within prescribed mechanical/operational safety limits. Using a conditionally active min-max limit regulator scheme, additional performance can be gained by disabling non-relevant limit regulators

control↗

NASA NTRS1990

Recent literature on structural modeling, identification, and analysis

The literature on the mathematical modeling of large space structures is first reviewed, with attention given to continuum models, model order reduction, substructuring, and computational techniques. System identification and mode verification are then discussed with reference to the verification of mathematical models of large space structures. In connection with analysis, the paper surveys recent research on eigensolvers and dynamic response solvers for large-order finite-element-based models.

Craig, Roy R., Jr.↗