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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2020

Understanding the use of message passing interface in exascale proxy applications

The Exascale Computing Project (ECP) focuses on the development of future exascale-capable applications. Most ECP applications use the message passing interface (MPI) as their parallel programming model with mini-apps serving as proxies. This paper explores the explicit usage of MPI in such ECP proxy applications. We empirically analyze 14 proxy applications from the ECP Proxy Apps Suite. We use the MPI profiling interface (PMPI) to collect MPI usage patterns in ECP proxy apps. Our analysis shows that a small subset of features from MPI is commonly used in the proxies of exascale-capable applications, even when they reference third-party libraries. Overall, this study is intended to provide a better understanding of the use of MPI in current exascale applications. The findings can help focus software investments made for exascale systems in the MPI middleware including optimization, fault-tolerance, tuning, and hardware-offload.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Modeling with uncertainty quantification reveals the essentials of a non-canonical algal carbon-concentrating mechanism

The thermoacidophilic red alga Cyanidioschyzon merolae survives its challenging environment likely in part by operating a carbon-concentrating mechanism (CCM). Here, we demonstrated that C. merolae 's cellular affinity for CO 2 is stronger than the affinity of its rubisco for CO 2 . This finding provided additional evidence that C. merolae operates a CCM while lacking the structures and functions characteristic of CCMs in other organisms. To test how such a CCM could function, we created a mathematical compartmental model of a simple CCM, distinct from those we have seen previously described in detail. The results of our modeling supported the feasibility of this proposed minimal and non-canonical CCM in C. merolae . To facilitate the robust modeling of this process, we measured and incorporated physiological and enzymatic parameters into the model. Additionally, we trained a surrogate machine-learning model to emulate the mechanistic model and characterized the effects of model parameters on key outputs. This parameter exploration enabled us to identify model features that influenced whether the model met the experimentally derived criteria for functional carbon concentration and efficient energy usage. Such parameters included cytosolic pH, bicarbonate pumping cost and kinetics, cell radius, carboxylation velocity, number of thylakoid membranes, and CO 2 membrane permeability. Our exploration thus suggested that a non-canonical CCM could exist in C. merolae and illuminated the essential features generally necessary for CCMs to function.

Steensma, Anne K. [Michigan State Univ., East Lans↗

DOE OSTI2021

Material Models and Credibility for System Level Abnormal Mechanical ModSim Applications

The purpose of this document is to provide evidence for assessing the adequacy of parameterized material models for a collection of materials used in a finite element analyses setting. “Adequacy” is relative to the intended use of the material in particular analyses. The intended application of the material models covered within this document is for system level abnormal mechanical solid mechanics analyses. Generally, material model parameterizations should be valid from temperatures of approximately -50 to 70° C, across a range of strain rates, and (depending on details of the parts involved) large deformations. Each material covered in this document is presented in its own chapter with a common format across materials. Model assumptions, limitations, existing validation results, readiness for use with uncertainty quantification, general usage guidance, and failure considerations are all provided along with specific parameterization inputs suitable for the finite element analysis code Sierra/Solid Mechanics.

36 MATERIALS SCIENCE↗

NASA NTRS1999

The Biomechanics of Exercise Countermeasures

The Penn State Zero-gravity Simulator (PSZS) is a device developed by the Center for Locomotion Studies (CELOS) to enable ground studies of exercise countermeasures for the bone loss that has been shown to occur during long-term exposure to zero gravity (0G). The PSZS simulates 0G exercise by providing a suspension system that holds an individual in a horizontal (supine) position above the floor in order to enable exercise on a wall-mounted treadmill. Due to this orientation, exercise performed in the PSZS is free of the force of -ravity in the direction that would normally contribute to ground reaction forces. In order for movements to be more similar to those in 0G, a constant force suspension of each segment (equal to the segment weight) is provided regardless of limb position. During the preliminary development of the PSZS, CELOS researchers also designed an optional gravity-replacement simulation feature for the PSZS. This feature was a prototype tethering system that consisted of a spring tension system to pull an exercising individual toward the treadmill. The immediate application of the tethering system was to be the provision of gravity-replacement loading so that exercise in 0G- and 1G-loading conditions could be compared, and the PSZS could then be used to evaluate exercise countermeasures for bone loss during space flight. This tethering system would also be a model for the further refinement of gravity-replacement systems provided for astronaut usage while performing prescribed exercise countermeasures for bone loss during long-term space flights.

Cavanagh, Peter R.↗

NASA NTRSDate not supplied

Implementation Approach for an Electrified Aircraft Concept Vehicle in a Research Flight Simulator

This paper describes a process to develop a flight simulation test capability for the SUbsonic Single Aft eNgine (SUSAN) Electrofan, a subsonic regional jet transport aircraft concept that utilizes electrified propulsion to gain benefits in fuel usage, emissions, and cost. The process, which involves the integration of independently developed models and their subsequent implementation in a flight simulator, is general and can be applied to a variety of aircraft types. However, the use of electrified propulsion architectures has the potential to add complexity beyond that of a traditional aircraft, especially with regard to the pilot interface. The way the pilot interacts with the thrust producing components could vary significantly between architectures, and the information displayed to the pilot will necessarily include additional variables beyond what is normally displayed in a traditional cockpit. This paper describes the integration process in general, as well as specific accommodations made for the architecture under consideration.

electrified aircraft propulsion↗

NASA NTRS2022

Implementation Approach for an Electrified Aircraft Concept Vehicle in a Research Flight Simulator

flight simulation↗

NASA NTRSDate not supplied

Implementation Approach for an Electrified Aircraft Concept Vehicle in a Research Flight Simulator

A flight simulation test capability for the SUbsonic Single Aft eNgine (SUSAN) Electrofan is under development. SUSAN is a regional jet transport aircraft concept that utilizes electrified propulsion to gain benefits in fuel usage, emissions, and cost. The process, which involves the integration of independently developed models and their subsequent implementation in a flight simulator, is general and can be applied to a variety of aircraft types. However, the use of electrified propulsion adds complexity beyond that of a traditional aircraft, especially with regard to the pilot interface. The way the pilot interacts with the engines will differ from current practice, and the information displayed to the pilot will necessarily include additional variables beyond what is normally displayed in a traditional cockpit.

flight simulation↗

NASA NTRS2023

A Common Trajectory Language for New Airspace Domains

Revolutionary new aviation services are currently in development, including small package delivery and short-range urban passenger transportation. These new services need a language to represent and deconflict trajectories, and a common language will simplify coordination between the new airspace domains as well as traditional airspace. A Trajectory Specification Language (TSL) was previously proposed for traditional air traffic, and it can also serve as a common language for the new aviation domains and services. The TSL specifies a reference trajectory in 4D space along with spatial tolerances that determine a bounding volume at any given time in flight. The tolerances are defined in terms of the route-oriented cross-track, along-track, and vertical axes, and they are allowed to vary with distance along the route. This bounding model can guarantee safe separation between flights as long as they are in conformance with their assigned trajectories. The advantages of this model over the previously proposed Operational Intent Volumes (OIVs) in terms of airspace usage efficiency are explained.

air traffic control, aircraft trajectory, language↗

DOE OSTI2022

The Generalized Spallation Model

The Generalized Spallation Model (GSM) event generator is an advanced, robust, and scalable Fortran code developed from an extended and improved version of the earlier event generator codes CEM03.03 and LAQGSM03.03. The GSM implements its algorithms within the context of cascade exciton, particle equilibration, particle evaporation, and particle disintegration models sampled via Monte-Carlo techniques. Coalescence of particles is also considered. The GSM assumes the incident particles has sufficient energy to satisfy the assumptions utilized in the GSM. The GSM calculates reactions induced by hadrons and nuclei incident on nuclear targets at incident energies ranging from ~20 MeV up to several TeV per nucleon. Usage of GSM is recommended however for particles with incident energies exceeding ~100 MeV to ensure model-assumptions are satisfied. The GSM additionally provides its clients with sub-model libraries to allow them to model desired physics within their own physical models.

Juneau, Chase↗

NASA NTRS1994

National facilities study. Volume 3: Mission and requirements model report

The National Facility Study (NFS) was initiated in 1992 by Daniel S. Goldin, Administrator of NASA as an initiative to develop a comprehensive and integrated long-term plan for future facilities. The resulting, multi-agency NFS consisted of three Task Groups: Aeronautics, Space Operations, and Space Research and Development (R&D) Task Groups. A fourth group, the Engineering and Cost Analysis Task Group, was subsequently added to provide cross-cutting functions, such as assuring consistency in developing an inventory of space facilities. Space facilities decisions require an assessment of current and future needs. Therefore, the two task groups dealing with space developed a consistent model of future space mission programs, operations and R&D. The model is a middle ground baseline constructed for NFS analytical purposes with excursions to cover potential space program strategies. The model includes three major sectors: DOD, civilian government, and commercial space. The model spans the next 30 years because of the long lead times associated with facilities development and usage. This document, Volume 3 of the final NFS report, is organized along the following lines: Executive Summary -- provides a summary view of the 30-year mission forecast and requirements baseline, an overview of excursions from that baseline that were studied, and organization of the report; Introduction -- provides discussions of the methodology used in this analysis; Baseline Model -- provides the mission and requirements model baseline developed for Space Operations and Space R&D analyses; Excursions from the baseline -- reviews the details of variations or 'excursions' that were developed to test the future program projections captured in the baseline; and a Glossary of Acronyms.

Source record↗

DOE OSTI2020

SMART Mobility. Connected and Automated Vehicles Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The first three-year research phase of SMART Mobility occurred from 2017 through 2019 and included five research pillars: Connected and Automated Vehicles, Mobility Decision Science, Multi-Modal Freight, Urban Science, and Advanced Fueling Infrastructure. A sixth research thrust integrated aspects of all five pillars to develop a SMART Mobility Modeling Workflow to evaluate new transportation technologies and services at scale. This report summarizes the work of the Connected and Automated Vehicles (CAVs) Pillar. This Pillar investigated the energy, technology, and usage implications of vehicle connectivity and automation and identified efficient CAV solutions. For information about the other Pillars and about the SMART Mobility Modeling Workflow, please refer to the relevant Pillar’s Capstone Report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Development of an ammonia pretreatment that creates synergies between biorefineries and advanced biomass logistics models

In this study, a novel ammonia-based pretreatment for densified lignocellulosic biomass was developed to reduce ammonia usage and integrate with viable biomass logistics scenarios. The COmpacted Biomass with Recycled Ammonia (COBRA) pretreatment performed at 100 °C allows >95% conversion of sugarcane bagasse (SCB) carbohydrates into soluble monomeric and oligomeric sugars (glucose and xylose) using industrially relevant 6% glucan loading (~21% solids loading) enzymatic hydrolysis conditions at reduced enzyme loadings. Pretreatment via COBRA with simultaneous lignin extraction (COBRA-LE) improved Saccharomyces cerevisiae 424A(LNH-ST) metabolic yield from 89% to 97.5% relative to COBRA without delignification, allowing a process ethanol yield of 71.6%. A technoeconomic analysis on SCB biorefining to ethanol in the state of São Paulo, Brazil, compared COBRA to other mature technologies, such as AFEX and steam-explosion. Amongst all scenarios studied, biorefineries based on COBRA-LE pretreatment offered the lowest average minimum ethanol selling price of US$1.45 per gallon ethanol. COBRA pretreatment was subsequently tested on perennial grasses and hardwoods, and >80% total sugar yields were achieved for all cases.

09 BIOMASS FUELS↗

DOE OSTI2024

Machine-learning based model reduction for partial differential equations

We develop a novel synergistic approach between model reduction and machine learning. The specific goal of this project is to aid in the construction of reduced order models for basis functions that are custom-made to represent the solution of partial differential equations. Partial differential equations (PDEs) are one of the main mathematical tools for describing physical phenomena. However, due to either efficiency or necessity, for many real-world problems, we are interested in constructing reduced order models (ROMs) which focus only on the explicit computation of subsets of the active spatio-temporal scales in the problem, while treating the interaction with the rest of the scales approximately. The task of accurate representation of such interactions (usually called memory terms) constitutes a vast area of research known as model reduction. PI Stinis has significant expertise in the construction of ROMs for complex systems. In addition, in recent work with the project key participant Qadeer, they have utilized machine learning to acquire custom-made basis functions (CBFs) to expand the solutions of PDEs. In the proposed work, we will merge the two concepts by constructing ROMs for subsets of the CBFs needed to represent the solution of a PDE. Specifically, we will use the Mori-Zwanzig model reduction formalism to construct ROMs for subsets of CBFs for nonlinear PDEs of various complexity, as well as investigate the usage of CBFs in the spectral vanishing viscosity method for problems that can form shocks in finite time. The outcome of the research is aimed to be proof-of-concept about a novel synergistic approach between model reduction and machine learning, thus advancing the field of scientific machine learning. Such a capability will benefit the efficient modeling of physical systems appearing in various areas of interest to the DOE.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

HybridSystemsSimulations.jl - Solving the Merchant Collocated Facilities with JuMP

The development of new clean-generation technologies also leads to new plant-level architectures that combine several generation and storage assets behind the point of connection. These co-located generation resources (Hybrid Systems) primarily operate as merchant assets that employ automated market bidding models and internal Energy Management Systems (EMS) to comply with the operator's signals. Formulating an optimal bidding model requires embedding the EMS control model into the bidding algorithm, resulting in a bi-level optimization problem. In this presentation, we first showcase using JuMP to formulate and solve this problem effectively for multiple merchant systems and the bidding outcomes considering different model formulations. Second, the bidding outcomes are later integrated into a PowerSimulations.jl (also built with JuMP) simulation to study the system-level effects of the various merchant bidding and the interactions between market-clearing models and the embedded EMS model. We will showcase simulations conducted in the RTS system considering different levels of merchant hybrid systems participation. The presentation provides the following specific insights on JuMP usage: 1) the Formulation of specialized bi-level problems with custom cuts to solve the merchant hybrid system bidding problem; 2) the integration of a modular model within a complex simulation workflow supported by JuMP in PowerSimulations.jl; 3) Accelerating the solution of power systems operations simulation that employ agent optimization problems using JuMP.

energy markets↗

NASA NTRS2016

Analysis and Characterization of Damage Utilizing an Orthotropic Generalized Composite Material Model Suitable for Use in Impact Problems

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased usage in the aerospace and automotive communities. In order to address a series of issues identified by the aerospace community as being desirable to include in a next generation composite impact model, an orthotropic, macroscopic constitutive model incorporating both plasticity and damage suitable for implementation within the commercial LS-DYNA computer code is being developed. The plasticity model is based on extending the Tsai-Wu composite failure model into a strain hardening-based orthotropic plasticity model with a non-associative flow rule. The evolution of the yield surface is determined based on tabulated stress-strain curves in the various normal and shear directions and is tracked using the effective plastic strain. To compute the evolution of damage, a strain equivalent semi-coupled formulation is used in which a load in one direction results in a stiffness reduction in multiple material coordinate directions. A detailed analysis is carried out to ensure that the strain equivalence assumption is appropriate for the derived plasticity and damage formulations that are employed in the current model. Procedures to develop the appropriate input curves for the damage model are presented and the process required to develop an appropriate characterization test matrix is discussed.

Impact↗

NASA NTRS2016

Analysis and Characterization of Damage Utilizing an Orthotropic Generalized Composite Material Model Suitable for Use in Impact Problems

Impact↗

NASA NTRSDate not supplied

Discovering Research Areas in Dataset Applications Through Knowledge Graphs and Large Language Models

Scientific datasets are increasingly cited in peer-reviewed journal publications, facilitating easy access to research utilizing those datasets. Datasets undergo a life cycle where older versions of datasets are replaced by newer versions often due to improvements in data resolution, algorithms, and other factors. Unlike peer reviewed documents registered with a single Digital Unique Identifier (DOI), datasets can be updated over time and the newer version of the datasets are registered with a new DOI which is not necessarily linked to the previous version of the dataset. It is challenging when publications citing a dataset need to be traced over the entire life cycle of that dataset. We provide an innovative approach to link the dataset versions and publications using a knowledge graph (KG). KG can help to trace the dataset cited in publications over the entire dataset life cycle and shed light into dataset usage in various applied research areas. We fine-tuned the pretrained NASA IMPACTINDUS Large Language Model (LLM) on a set of labeled publications abstracts. Our results showed that 87% of the publications were classified into one of twenty applied research areas, while the remaining 13% were classified into non-applied research areas. By linking datasets to applied research areas through the KG and employing Global Change Master Directory(GCMD), a well-established controlled vocabulary of scientific keywords describing Earth science datasets, we contribute to a transparent and advanced search and discovery mechanism for datasets across the Earth data ecosystem. The integrated KG and LLM approach is now incorporated and operational in dataset publication management at one of NASA’s Earth science data archival centers.

data provenance↗

DOE OSTI2020

An Integrated Multiscale Experimental-Numerical Analysis on Reconsolidation of Salt-Clay Mixture for Disposal of Heat-Generating Waste (Final NEUP Technical Report)

The overall purpose of this research is to improve understanding of THMC coupling effect on the reconsolidation of granular (or crushed) salt-clay mixture used for seal systems of shafts and drifts in salt repositories. This proposed work is partially motivated by the recent work on the Waste Isolation Pilot Plant (WIPP) that shows the promising sealing capability of clay-salt mixture compared to crushed salt. In particular, primary emphasis is to develop a fully integrated multiscale experiment-numerical study to determine and explain what leads to the superior sealing ability of the clay-salt mixture. These research activities are designed to seek further understanding of (1) why clay additives may enhance the fluid trapping and (2) whether this flow barrier effect may prevail under different combinations of temperature, confining pressure, deviatoric stress and other foreseeable environmental factors. If successful, this enhanced flow trapping ability of the seal provides significant improvement to the seal and repository performance and therefore make the repository safer in the long-term. The experiment component includes microstructural investigation and macroscopic tests on a reconsolidated salt-clay mixture. In the microstructural study, the goal is to (1) characterize microscopic distributions of distinct phases (e.g., clay, salt crystal boundaries, trapped brine, and pore) to examine the connectivity of the pore network inside the salt-clay mixture with different amounts of clay additive and moisture content and (2) analyze multiscale imaging data to reconstruct the polycrystalline microstructures for numerical simulations. Meanwhile, macroscopic tests are performed to analyze how clay alters the failure/creep mechanisms in the salt-clay mixture. Microscopic and macroscopic experimental observations will both be used to calibrate and validate a multiscale model that explicitly simulates the capillary and multiphase flow in the connected pores and the deformation due to the presence of intra-crystalline brine at the pore scale via a new polyhedral discrete element–lattice Boltzmann method (DEM-LBM) coupling model. The pore-scale simulations are homogenized via an upscaling procedure that converts pore-scale information (e.g. force exerted on grain boundary, sliding, pressure-solution) to continuum measures (e.g. Cauchy stress, Darcy’s flow) at each integration point in the macroscopic multiphase TMHC model. This multiscale scheme will allow coupling be- tween high-fidelity simulations of brine-salt-clay interaction and the macroscopic TMHC model. The multiscale model helps the understanding of how the trapped brine inclusion affects the pressure-solution mechanism with the presence of clay and moisture. This work brings new insight into the sealing capacity of salt-clay mixture under elevated temperature over a long period of time - a key to evaluating the potential of salt-clay mixture usage for salt repositories.

42 ENGINEERING↗