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DOE OSTI2026

A multiscale packed-bed reactor model for sustainable ethylene production via chemical looping oxidative coupling of methane

The rising global warming concerns and shale gas discovery have prompted research in the direction of greenhouse gas (GHG), such as methane, reduction and conversion. Oxidative coupling of methane (OCM) offers a pathway to low carbon-intense valorization of methane while producing ethylene, a chemical regarded as central to the petrochemical industry. Even after decades of OCM discovery, researchers keep understanding the process and underlying chemical reactions in a pursuit to achieve industrial viability for OCM. Here, in general, OCM suffers from low C 2 selectivity, yield and reactor temperature runaways due to highly exothermic nature of its reactions. Computational Fluid Dynamics (CFD) tools help analyze spatial gradients within the reactor to deeply understand the diffusion of species, mass and heat transfer phenomena. Furthermore, challenges associated with scaling up such as hot spot formation and parametric sensitivity can be addressed without having to expend on costly experiments. The current paper presents a multiscale packed-bed reactor CFD model coupled with a chemical kinetic model for the chemical looping OCM. The CFD model includes two scales i.e., macroscale for catalyst bed and microscale for individual pellets. Moreover, a chemical kinetic model based on 10 gas-phase reactions is integrated with the CFD model. An additional surface reaction for the formation of gas-phase oxygen from catalyst surface is added to account for the absence of feed oxygen. The model is calibrated against experimental results. The calibrated model captures trends in CH 4 conversion, C 2 selectivity and C 2 yield within a ± 4.35 % range across a temperature range of 700-900 °C. Moreover, model fidelity is evaluated by varying key computational parameters such as mesh resolution and time step size. The model is also verified by varying the inlet methane concentration and the gas hourly space velocity (GHSV) and comparing the results with literature. A sensitivity analysis and scale-up of the current model is undergoing.

Chemical looping↗

NASA NTRS2000

Approximation Model Building for Reliability & Maintainability Characteristics of Reusable Launch Vehicles

This paper describes the development of parametric models for estimating operational reliability and maintainability (R&M) characteristics for reusable vehicle concepts, based on vehicle size and technology support level. A R&M analysis tool (RMAT) and response surface methods are utilized to build parametric approximation models for rapidly estimating operational R&M characteristics such as mission completion reliability. These models that approximate RMAT, can then be utilized for fast analysis of operational requirements, for lifecycle cost estimating and for multidisciplinary sign optimization.

Unal, Resit↗

NASA NTRS1978

Parametric evaluation of the cost effectiveness of Shuttle payload vibroacoustic test plans

Consideration is given to alternate vibroacoustic test plans for sortie and free flyer Shuttle payloads. Statistical decision models for nine test plans provide a viable method of evaluating the cost effectiveness of alternate vibroacoustic test plans and the associated test levels. The methodology is a major step toward the development of a useful tool for the quantitative tailoring of vibroacoustic test programs to sortie and free flyer payloads. A broader application of the methodology is now possible by the use of the OCTAVE computer code.

Stahle, C. V.↗

NASA NTRS2016

A Parametric Model of Shoulder Articulation for Virtual Assessment of Space Suit Fit

Shoulder injury is one of the most severe risks that have the potential to impair crewmembers' performance and health in long duration space flight. Overall, 64% of crewmembers experience shoulder pain after extra-vehicular training in a space suit, and 14% of symptomatic crewmembers require surgical repair (Williams & Johnson, 2003). Suboptimal suit fit, in particular at the shoulder region, has been identified as one of the predominant risk factors. However, traditional suit fit assessments and laser scans represent only a single person's data, and thus may not be generalized across wide variations of body shapes and poses. The aim of this work is to develop a software tool based on a statistical analysis of a large dataset of crewmember body shapes. This tool can accurately predict the skin deformation and shape variations for any body size and shoulder pose for a target population, from which the geometry can be exported and evaluated against suit models in commercial CAD software. A preliminary software tool was developed by statistically analyzing 150 body shapes matched with body dimension ranges specified in the Human-Systems Integration Requirements of NASA ("baseline model"). Further, the baseline model was incorporated with shoulder joint articulation ("articulation model"), using additional subjects scanned in a variety of shoulder poses across a pre-specified range of motion. Scan data was cleaned and aligned using body landmarks. The skin deformation patterns were dimensionally reduced and the co-variation with shoulder angles was analyzed. A software tool is currently in development and will be presented in the final proceeding. This tool would allow suit engineers to parametrically generate body shapes in strategically targeted anthropometry dimensions and shoulder poses. This would also enable virtual fit assessments, with which the contact volume and clearance between the suit and body surface can be predictively quantified at reduced time and cost.

Kim, K. Han↗

DOE OSTI2021

A Python Library for Radiance Matrix-based Simulation Control and EnergyPlus Integration

Radiance matrix-based methods enable efficient parametric simulations, allowing users to vary sky conditions, fenestration systems, and other model parameters at a minimal cost to computation. However, the steep learning curve and complex workflow hinder the widespread adoption of matrix-based methods. The frads Python library with a series of command-line tools was developed to automate the entire matrix-based simulation process, lowering entry barriers and reducing human error. Co-simulation between EnergyPlus and Radiance was also enabled using the Python library from EnergyPlus. Key Innovations • Command-line based automation of Radiance matrix-based simulation methods • Python library facilitates broader adoption of Radiance matrix-based simulation methods • Radiance EnergyPlus run-time integration enabling the modeling of advanced control systems Practical Implications The frads library, with associated command-line tools, provides practitioners with the capability to easily adopt and use Radiance matrix-based simulation methods for various daylighting, solar control, and energy-related evaluations. Frads' current form is designed for 1) users familiar with a command-line interface and 2) software developers to integrate the matrix-based methods into existing software packages.

Wang, Taoning↗

DOE OSTI2021

Validation of the Community Land Model Version 5 over the Contiguous United States (CONUS) using in situ and remote sensing data sets

The Community Land Model (CLM) is an effective tool to simulate the biophysical and biogeochemical processes and their interactions with the atmosphere. Although CLM Version 5 (CLM5) constitutes various updates in these processes, its performance in simulating energy, water and carbon cycles over the Contiguous United States (CONUS) at scales which land surface changes and hydrometeorological and hydroclimatological applications are more locally relevant is yet to be assessed. In this study, we conducted three simulations at 0.125? during 1979-2018 over the CONUS using different configurations of CLM, namely CLM5-biogeochemistry (CLM5BGC), CLM4.5BGC, and CLM5-satellite phenology (CLM5SP). We validated and compared their simulations against multiple remote-sensed and in-situ datasets. Overall, the parametric and structural updates (e.g., carbon cost for nitrogen uptake, variable soil thickness, dry surface layer) in CLM5 improve its ability in capturing terrestrial biogeochemical dynamics. The low evapotranspiration in CLM5BGC is associated with biases in simulating vegetation phenological characteristics rather than soil water limitations. The mismatch between CLM5BGC-simulated peak leaf area index and reference data can be attributed to CLM5BGC's inability in simulating phenology of trees and grasses. The differences between CLM-simulated irrigation and reference estimates can be attributed to differences between processes represented in models and in reality, and uncertainties in input and validation datasets. Evaluation against observations at small catchments suggest that hydrologic parameters needed to be calibrated to improve simulations of runoff, especially subsurface runoff. Additional efforts are needed to incorporate spatially-distributed plant phenology and physiology parameters and regional-specific agricultural management practices (e.g., planting, harvest).

Cheng, Yanyan↗

NASA NTRS2023

Spacesuit Fit and Mobility Assessments by Digital Human Modeling

Spacesuit Fit and Mobility Assessments by Digital Human Modeling K. Han Kim (Leidos, Inc.) Elizabeth A. Benson (KBR, Inc.) Sudhakar L. Rajulu (NASA Johnson Space Center) Spacesuits are required to accommodate safe operations for astronauts across gender and a wide variety of body shapes and sizes. This goal has been of particular importance given the increasing diversity of NASA crewmembers for upcoming Missions. While testing with design prototypes is a critical step for spacesuit development, iterative mockup design, fabrication, and human subject tests can be extremely costly and time consuming. Moreover, testing with a limited subject pool has often raised questions for validity, as test subjects need to represent the entire astronaut population, not only of the past or current, but also the future. This study is aimed at demonstrating how digital human modeling (DHM) tools have been built and directly supported NASA spacesuit developments. With DHM, the computer aided design (CAD) model of a spacesuit was integrated with human body models. Two use scenarios are presented in this paper, namely fit and mobility. For fit assessments, the suit-to-body contact and compression patterns were estimated using 3D human body scan models virtually wearing a spacesuit model. A statistical fit classifier was made from the contact patterns and applied against a large database of body scans (N=2,500). With this technique, the NASA reference design spacesuit Exploration EVA Mobility Unit (xEMU)was verified to accommodate 90% of the astronaut-like population, with the critical dimensions covering 1stto 99thpercentiles of the target body measurements. A similar technique assessed XEMU mobility. The maximum reach envelopes were considered, within which the work objects and critical hardware interfaces should be located for safe and ergonomic operations. While the reach envelope geometry varies significantly with the suit wearer’s body size and strength, the existing test data did not include the subjects critically required to define suit mobility requirements, such as very small females or large males. Using the xEMU virtual model kinematically simulated and permuted for a hypothetical wearer, however, the existing data were statistically transformed and scaled. This method enabled for a parametric estimation of the reach envelopes from the 1stpercentile female or 99thpercentile male. The outcome was successfully incorporated for requirement developments. With the new DHM tools, human integration of the spacesuit was structurally simulated and predictively assessed, which would have been otherwise impossible. Also, the needs for iterative mockup and subject tests were significantly reduced, which resulted in time and cost saving. Additional work is in progress to integrate additional vehicles, tools, and hardware with DHM framework.

K Han Kim↗

NASA NTRS1989

Numerical model of solar dynamic radiator for parametric analysis

Growth power requirements for Space Station Freedom will be met through addition of 25 kW solar dynamic (SD) power modules. The SD module rejects waste heat from the power conversion cycle to space through a pumped-loop, multi-panel, deployable radiator. The baseline radiator configuration was defined during the Space Station conceptual design phase and is a function of the state point and heat rejection requirements of the power conversion unit. Requirements determined by the overall station design such as mass, system redundancy, micrometeoroid and space debris impact survivability, launch packaging, costs, and thermal and structural interaction with other station components have also been design drivers for the radiator configuration. Extensive thermal and power cycle modeling capabilities have been developed which are powerful tools in Station design and analysis, but which prove cumbersome and costly for simple component preliminary design studies. In order to aid in refining the SD radiator to the mature design stage, a simple and flexible numerical model was developed. The model simulates heat transfer and fluid flow performance of the radiator and calculates area mass and impact survivability for many combinations of flow tube and panel configurations, fluid and material properties, and environmental and cycle variations. A brief description and discussion of the numerical model, it's capabilities and limitations, and results of the parametric studies performed is presented.

Rhatigan, Jennifer L.↗

NASA NTRS2013

3D Printed Robotic Hand

Dexterous robotic hands are changing the way robots and humans interact and use common tools. Unfortunately, the complexity of the joints and actuations drive up the manufacturing cost. Some cutting edge and commercially available rapid prototyping machines now have the ability to print multiple materials and even combine these materials in the same job. A 3D model of a robotic hand was designed using Creo Parametric 2.0. Combining "hard" and "soft" materials, the model was printed on the Object Connex350 3D printer with the purpose of resembling as much as possible the human appearance and mobility of a real hand while needing no assembly. After printing the prototype, strings where installed as actuators to test mobility. Based on printing materials, the manufacturing cost of the hand was $167, significantly lower than other robotic hands without the actuators since they have more complex assembly processes.

Pizarro, Yaritzmar Rosario↗

DOE OSTI2024

Subsampling of Parametric Models with Bifidelity Boosting

Least squares regression is a ubiquitous tool for building emulators (a.k.a. surrogate models) of problems across science and engineering for purposes such as design space exploration and uncertainty quantification. When the regression data are generated using an experimental design process (e.g., a quadrature grid) involving computationally expensive models, or when the data size is large, sketching techniques have shown promise at reducing the cost of the construction of the regression model while ensuring accuracy comparable to that of the full data. However, random sketching strategies, such as those based on leverage scores, lead to regression errors that are random and may exhibit large variability. To mitigate this issue, we present a novel boosting approach that leverages cheaper, lower-fidelity data of the problem at hand to identify the best sketch among a set of candidate sketches. This in turn specifies the sketch of the intended high-fidelity model and the associated data. We provide theoretical analyses of this bifidelity boosting (BFB) approach and discuss the conditions the low- and high-fidelity data must satisfy for a successful boosting. In doing so, we derive a bound on the residual norm of the BFB sketched solution relating it to its ideal, but computationally expensive, high-fidelity boosted counterpart. Finally, empirical results on both manufactured and PDE data corroborate the theoretical analyses and illustrate the efficacy of the BFB solution in reducing the regression error, as compared to the nonboosted solution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Parametric analysis on optimized design of hybrid solar power plants

There is increasing interest in utility-scale solar power plants with storage which can flexibly dispatch renewable energy to the grid. However, plant design possesses many degrees of freedom and non-obvious trade-offs in performance. Software tools can estimate or optimize the performance of a specific plant configuration under market and weather conditions of interest; the associated cost parameters and operating assumptions strongly influence estimates of plant performance and decisions regarding optimal sizing. We employ the National Renewable Energy Laboratory's Hybrid Optimization and Performance Platform, which incorporates optimal dispatch when evaluating plant performance, and investigate the sensitivity to weather and market conditions, operating limitations, and the presence of a capacity-based incentive. We demonstrate changes in plant performance and optimal sizing with respect to these inputs and discuss implications. Here results show that PV-with-battery designs are more profitable under our assumptions, but that designs including a concentrated solar power (CSP) system produce significantly greater annual energy; and that CSP-with-thermal energy storage designs maximizing the benefit-to-cost ratio have an input-dependent linear relationship between the CSP field solar multiple and the hours of storage as the project budget varies.

14 SOLAR ENERGY↗

NASA NTRS2012

An Affordability Comparison Tool (ACT) for Space Transportation

NASA bas recently emphasized the importance of affordability for Commercial Crew Development Program (CCDP), Space Launch Systems (SLS) and Multi-Purpose Crew Vehicle (MPCV). System architects and designers are challenged to come up with architectures and designs that do not bust the budget. This paper describes the Affordability Comparison Tool (ACT) analyzes different systems or architecture configurations for affordability that allows for a comparison of: total life cycle cost; annual recurring costs, affordability figures-of-merit, such as cost per pound, cost per seat, and cost per flight, as well as productivity measures, such as payload throughput. Although ACT is not a deterministic model, the paper develops algorithms and parametric factors that use characteristics of the architectures or systems being compared to produce important system outcomes (figures-of-merit). Example applications of outcome figures-of-merit are also documented to provide the designer with information on the relative affordability and productivity of different space transportation applications.

McCleskey, C. M.↗

NASA NTRS2019

Development and Analysis of the Automated Object Reentry Survival Analysis Tool Parametric Study Wrapper

The NASA Orbital Debris Program Office (ODPO) studies all aspects of spacecraft end-of-life and orbital debris measurement, modeling, and mitigation. The reentry safety group within the ODPO uses the Object Reentry Survival Analysis Tool (ORSAT) to calculate the casualty risk due to reentry of spacecraft and other types of orbital debris. ORSAT models spacecraft as a collection of fragments that break apart from the parent object at a pre-defined “breakup altitude.” It then calculates the trajectory and aero-heating of these fragments to determine which fragments are completely destroyed and which survive to the ground and pose a risk to human population. Because of the historically high computational cost of these calculations, many simplifying assumptions have been made in the traditional calculation and analysis process used by the ODPO, some of which have been shown by recent research by the ODPO and others to be incorrect. Improvements to the ORSAT code and advancements in computer technology have vastly decreased the program’s processing time, and have allowed the ODPO to develop a capability for large-scale parametric studies and Monte Carlo reentry simulations that can aid in both the initial spacecraft design and provide more detailed and accurate risk analysis to spacecraft operators.

Smith, Andrew N.↗

NASA NTRS1988

Developing integrated parametric planning models for budgeting and managing complex projects

The applicability of integrated parametric models for the budgeting and management of complex projects is investigated. Methods for building a very flexible, interactive prototype for a project planning system, and software resources available for this purpose, are discussed and evaluated. The prototype is required to be sensitive to changing objectives, changing target dates, changing costs relationships, and changing budget constraints. To achieve the integration of costs and project and task durations, parametric cost functions are defined by a process of trapezoidal segmentation, where the total cost for the project is the sum of the various project cost segments, and each project cost segment is the integral of a linearly segmented cost loading function over a specific interval. The cost can thus be expressed algebraically. The prototype was designed using Lotus-123 as the primary software tool. This prototype implements a methodology for interactive project scheduling that provides a model of a system that meets most of the goals for the first phase of the study and some of the goals for the second phase.

Etnyre, Vance A.↗

NASA NTRSDate not supplied

Parametric Cost Modeling of a Mid-Lift-to-Drag Ratio Vehicle for Human Mars Entry, Descent, and Landing

Cost is one of the biggest obstacles to sending humans to Mars. However, spacecraft costs are typically estimated after the preliminary vehicle and mission concepts have been designed. By automating the cost estimation process, the effect of any change in vehicle or mission design on the mission cost can be determined more rapidly. This paper uses the tool SAPE-C (Systems Analysis for Planetary Entry, Descent, and Landing-Cost). SAPE-C integrates the cost modeling software SEER-H (System Estimation and Evaluation of Resources-Hardware) with a number of systems analysis tools and enables large design tradespace exploration early in the design process. SAPE-C is used to analyze several tradespaces of the Mid-Lift-to-Drag ratio rigid entry vehicle for human Mars missions. Key findings include quantifying the impacts of payload, vehicle length, and main engine specific impulse on the overall cost of the vehicle, and how the payload per lander and number of landers affects the cost of a campaign to Mars.

Paul D Friz↗

NASA NTRSDate not supplied

Parametric Cost Modeling of a Mid-Lift-to-Drag Ratio Vehicle for Human Mars Entry, Descent, and Landing

Paul D Friz↗

DOE OSTI2025

Joint Experimental and Computational Characterization of Sum-Frequency Generation between a Continuous Wave Laser and an Ultrafast Frequency Comb Laser for Tunable Laser Development

Ultrafast optical frequency combs allow for both high spectral and temporal resolution in molecular spectroscopy and have become a powerful tool in many areas of chemistry and physics. Ultrafast lasers and frequency combs generated from ultrafast mode-locked lasers often need to be converted to other wavelengths. Commonly used wavelength conversions are optical parametric oscillators, which require an external optical cavity, and supercontinuum generation combined with optical parametric amplifiers. Whether commercial or home-built, these systems are complex and costly. Here, we investigate an alternative, simple, and easy-to-implement approach to tunable frequency comb ultrafast lasers enabled by new continuous-wave laser technology. Sum-frequency generation between an Nd:YAG continuous-wave laser and a Yb:fiber femtosecond frequency comb in a beta-barium borate (BBO) crystal is explored. The resulting sum-frequency beam is a pulsed frequency comb with the same repetition rate as the Yb:fiber source. SNLO simulation software is used to simulate the results and provide benchmarks for designing future systems to achieve wavelength conversion and tunability in otherwise difficult-to-reach spectral regions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A simplified CFD approach for modeling mass transport in catalytic open-cell foams

A simplified macroscopic CFD approach is presented to model mass transport including chemical reactions in washcoated open-cell foams. The foam is treated as a porous medium. Species conversion during chemical reactions is modeled using appropriate source terms based on reaction rate expressions and modified to account for the mass transport resistances occurring at the fluid-washcoat interfaces and within the washcoat layers. As example, the catalytic CO oxidation over platinum is studied. The simulation results show good agreement with experimental data from literature. A parametric study on washcoat parameters, such as thickness, tortuosity, porosity, and size, is carried out. Increasing the washcoat thickness from 5 to 100 µm or decreasing the tortuosity to porosity ratio from 5 to 20 decreases the CO conversion by 10 %. The proposed model is found to be reliable and has the advantage of lower computational cost, making it a suitable tool for foam-based catalytic reactor design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗