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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Direct numerical simulations of on-demand vortex generators: Mathematical formulation

The objective of the present research is the development and application of efficient adaptive numerical algorithms for the study, via direct numerical simulations, of active vortex generators. We are using innovative computational schemes to investigate flows past complex configurations undergoing arbitrary motions. Some of the questions we try to answer are: Can and how may we control the dynamics of the wake? What is the importance of body shape and motion in the active control of the flow? What is the effect of three-dimensionality in laboratory experiments? We are interested not only in coupling our results to ongoing, related experimental work, but furthermore to develop an extensive database relating the above mechanisms to the vortical wake structures with the long-range objective of developing feedback control mechanisms. This technology is very important to aircraft, ship, automotive, and other industries that require predictive capability for fluid mechanical problems. The results would have an impact in high angle of attack aerodynamics and help design ways to improve the efficiency of ships and submarines (maneuverability, vortex induced vibration, and noise).

Koumoutsakos, Petros↗
DOE OSTI2026

Multinuclear Solid-State NMR and NMR Crystallography of Solid Forms of Creatine and Creatinine

Creatine is a performance-enhancing supplement with two widely available commercial solid forms, namely, creatine monohydrate (creatine·H 2 O) and creatine HCl, the latter of which does not have a reported crystal structure. Moreover, commercial formulations of creatine may contain creatinine, an undesired impurity phase resulting from the self-cyclization of creatine during manufacturing. Therefore, reliable methods for characterizing the different solid forms of creatine and detecting the presence of creatinine are essential. Herein, we address these challenges using 13 C, 15 N, and 35 Cl solid-state NMR (SSNMR) spectroscopy to obtain distinct spectral fingerprints for creatine·H 2 O and creatine HCl, along with creatinine and creatinine HCl. The acquisition of these SSNMR spectra offers a robust approach for both the rapid characterization of each solid form and the detection of the impurity phases. Additionally, quadrupolar NMR crystallography-guided crystal structure prediction (QNMRX-CSP) was applied for the de novo crystal structure determination of creatine HCl, which was validated by the subsequently determined single-crystal X-ray diffraction (SCXRD) structure. Finally, to investigate the relationship between NMR parameters and structural features, 13 C and 15 N chemical shifts and 35 Cl electric field gradient (EFG) tensors were computed from geometry-optimized structures of the four solid forms by using dispersion-corrected DFT-D2* methods. Finally, this integrative approach offers a powerful framework for advancing the structural understanding and quality control of creatine-based supplements and next-generation formulations, as well as a wide range of other solid pharmaceuticals and nutraceuticals.

NMR↗
NASA NTRS2020

SISO Space Reference FOM - Tools and Testing

The Simulation Interoperability Standards Organization (SISO) Space Reference Federation Object Model (SpaceFOM) version 1.0 is nearing completion. Earlier papers have described the use of the High Level Architecture (HLA) in Space simulation as well as technical aspects of the SpaceFOM. This paper takes a look at different SpaceFOM tools and how they were used during the development and testing of the standard.The first organizations to develop SpaceFOM-compliant federates for SpaceFOM development and testing were NASA's Johnson Space Center (JSC), the University of Calabria (UNICAL), and Pitch Technologies.JSC is one of NASA's lead centers for human space flight. Much of the core distributed simulation technology development, specifically associated with the SpaceFOM, is done by the NASA Exploration Systems Simulations (NExSyS) team. One of NASA's principal simulation development tools is the Trick Simulation Environment. NASA's NExSyS team has been modifying and using Trick and TrickHLA to help develop and test the SpaceFOM.The System Modeling And Simulation Hub Laboratory (SMASH-Lab) at UNICAL has developed the Simulation Exploration Experience (SEE) HLA Starter kit, that has been used by most SEE teams involved in the distributed simulation of a Moon base. It is particularly useful for the development of federates that are compatible with the SpaceFOM. The HLA Starter Kit is a Java based tool that provides a well-structured framework to simplify the formulation, generation, and execution of SpaceFOM-compliant federates.Pitch Technologies, a company specializing in distributed simulation, is utilizing a number of their existing HLA tools to support development and testing of the SpaceFOM. In addition to the existing tools, Pitch has developed a few SpaceFOM specific federates: Space Master for managing the initialization, execution and pacing of any SpaceFOM federation; EarthEnvironment, a simple Root Reference Publisher; and Space Monitor, a graphical tool for monitoring reference frames and physical entities.Early testing of the SpaceFOM was carried out in the SEE university outreach program, initiated in SISO. Students were given a subset of the FOM, that was later extended. Sample federates were developed and frameworks were developed or adapted to the early FOM versions.As drafts of the standard matured, testing was performed using federates from government, industry, and academia. By mixing federates developed by different teams the standard could be tested with respect to functional correctness, robustness and clarity.These frameworks and federates have been useful when testing and verifying the design of the standard. In addition to this, they have since formed a starting point for developing SpaceFOM-compliant federations in several projects, for example for NASA, ESA as well as SEE.

Möller, Björn↗
DOE OSTI2026

Generative Electrolyte Solvent and Formulation Discovery

Molecular mixtures and/or formulations are of great importance in fields ranging from materials science to pharmaceuticals to chemistry. In batteries, electrolytes are complex molecular mixtures consisting of multiple salts and solvents and additives at different concentrations that dictate battery capacity, safety, and cycle life, among others. Unfortunately, due to the complex composition and infinite design space as well as the conflicting property requirements, electrolyte design is the rate-determining step in the design of next generation battery chemistries. In this work, we develop a transformer-based generative AI model − ElectrolyteGPT − capable of generating solvents and electrolyte formulations to satisfy a wide range of desired property requirements. First, we curate an electrolyte-relevant database and develop a new line notation for formulations. Then, we show that ElectrolyteGPT can generate solvents and formulations conditioned on a wide range of important electrolyte properties such as ionic conductivity, oxidative stability, Coulombic efficiency, viscosity, and more. Finally, we experimentally synthesize the generated solvents and fabricate the electrolyte formulations and show that they can meet the desired property requirements and enable longterm cycling in energy-dense anode-free lithium metal batteries. Our work showcases the ability of generative models to address challenges in molecular mixture design for next generation batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Global, Multi-Objective Trajectory Optimization With Parametric Spreading

Mission design problems are often characterized by multiple, competing trajectory optimization objectives. Recent multi-objective trajectory optimization formulations enable generation of globally-optimal, Pareto solutions via a multi-objective genetic algorithm. A byproduct of these formulations is that clustering in design space can occur in evolving the population towards the Pareto front. This clustering can be a drawback, however, if parametric evaluations of design variables are desired. This effort addresses clustering by incorporating operators that encourage a uniform spread over specified design variables while maintaining Pareto front representation. The algorithm is demonstrated on a Neptune orbiter mission, and enhanced multidimensional visualization strategies are presented.

trajectory design↗
NASA NTRS1991

A generalized scheme for three-dimensional hyperbolic grid generation

A hyperbolic grid generation scheme formulated from grid orthogonality and cell volume specification is generalized such that high quality three-dimensional grids can be obtained for a wide variety of geometries. The speed of the scheme is one to two orders of magnitude faster than typical elliptic grid generation methods. The robustness of the scheme is significantly enhanced by several new techniques. By using a spatially variable smoothing coefficient, orthogonality and smoothness of the grid are maintained around complex concave and convex surface topologies. A metric correction procedure is employed to guarantee that the grid marches out of a corner by bisecting the angles subtended by the neighboring points. Extra robustness at severe convex corners is achieved by special local treatments. Different extrapolation methods are used to provide smoothness at floating edges and axis regions. The versatility of the new hyperbolic grid generation scheme is demonstrated by three-dimensional grids generated for external components of the intergrated Space Shuttle vehicle and the SOFIA telescope.

Chan, William M.↗
NASA NTRS1995

Three-dimensional hybrid grid generation using advancing front techniques

A new 3-dimensional hybrid grid generation technique has been developed, based on ideas of advancing fronts for both structured and unstructured grids. In this approach, structured grids are first generate independently around individual components of the geometry. Fronts are initialized on these structure grids, and advanced outward so that new cells are extracted directly from the structured grids. Employing typical advancing front techniques, cells are rejected if they intersect the existing front or fail other criteria When no more viable structured cells exist further cells are advanced in an unstructured manner to close off the overall domain, resulting in a grid of 'hybrid' form. There are two primary advantages to the hybrid formulation. First, generating blocks with limited regard to topology eliminates the bottleneck encountered when a multiple block system is used to fully encapsulate a domain. Individual blocks may be generated free of external constraints, which will significantly reduce the generation time. Secondly, grid points near the body (presumably with high aspect ratio) will still maintain a structured (non-triangular or tetrahedral) character, thereby maximizing grid quality and solution accuracy near the surface.

Steinbrenner, John P.↗
NASA NTRS2008

Using Bayesian Networks for Candidate Generation in Consistency-based Diagnosis

Consistency-based diagnosis relies heavily on the assumption that discrepancies between model predictions and sensor observations can be detected accurately. When sources of uncertainty like sensor noise and model abstraction exist robust schemes have to be designed to make a binary decision on whether predictions are consistent with observations. This risks the occurrence of false alarms and missed alarms when an erroneous decision is made. Moreover when multiple sensors (with differing sensing properties) are available the degree of match between predictions and observations can be used to guide the search for fault candidates. In this paper we propose a novel approach to handle this problem using Bayesian networks. In the consistency- based diagnosis formulation, automatically generated Bayesian networks are used to encode a probabilistic measure of fit between predictions and observations. A Bayesian network inference algorithm is used to compute most probable fault candidates.

Narasimhan, Sriram↗
NASA NTRS1979

A jet exhaust noise prediction procedure for inverted velocity profile coannular nozzles

Acoustic model tests have demonstrated that significant noise suppression can be obtained from inverted velocity profile coannular nozzles. An acoustic prediction procedure was developed for inverted velocity profile coannular nozzles that can be used to predict SPL spectra as a function of nozzle geometry and flow conditions. In the development of this prediction procedure, the noise spectrum at a given angle was decomposed into four noise components: a low frequency mixing noise component, a high frequency mixing noise component, an outer stream shock noise component, and an inner stream shock noise component. The physics of the inverted velocity flow field development was used to formulate noise generation models. Scaling laws for each noise component were defined based on these models. Comparisons of predictions from this procedure with experimental data were conducted to verify the prediction procedure.

Larson, R. S.↗
NASA NTRS1990

GRASP/Ada (Graphical Representations of Algorithms, Structures, and Processes for Ada): The development of a program analysis environment for Ada. Reverse engineering tools for Ada, task 1, phase 2

The study, formulation, and generation of structures for Ada (GRASP/Ada) are discussed in this second phase report of a three phase effort. Various graphical representations that can be extracted or generated from source code are described and categorized with focus on reverse engineering. The overall goal is to provide the foundation for a CASE (computer-aided software design) environment in which reverse engineering and forward engineering (development) are tightly coupled. Emphasis is on a subset of architectural diagrams that can be generated automatically from source code with the control structure diagram (CSD) included for completeness.

Cross, James H., II↗
NASA NTRS1991

GRASP/Ada: Graphical Representations of Algorithms, Structures, and Processes for Ada. The development of a program analysis environment for Ada: Reverse engineering tools for Ada, task 2, phase 3

The main objective is the investigation, formulation, and generation of graphical representations of algorithms, structures, and processes for Ada (GRASP/Ada). The presented task, in which various graphical representations that can be extracted or generated from source code are described and categorized, is focused on reverse engineering. The following subject areas are covered: the system model; control structure diagram generator; object oriented design diagram generator; user interface; and the GRASP library.

Cross, James H., II↗
NASA NTRS2004

Autonomous Guidance of Agile Small-scale Rotorcraft

This report describes a guidance system for agile vehicles based on a hybrid closed-loop model of the vehicle dynamics. The hybrid model represents the vehicle dynamics through a combination of linear-time-invariant control modes and pre-programmed, finite-duration maneuvers. This particular hybrid structure can be realized through a control system that combines trim controllers and a maneuvering control logic. The former enable precise trajectory tracking, and the latter enables trajectories at the edge of the vehicle capabilities. The closed-loop model is much simpler than the full vehicle equations of motion, yet it can capture a broad range of dynamic behaviors. It also supports a consistent link between the physical layer and the decision-making layer. The trajectory generation was formulated as an optimization problem using mixed-integer-linear-programming. The optimization is solved in a receding horizon fashion. Several techniques to improve the computational tractability were investigate. Simulation experiments using NASA Ames 'R-50 model show that this approach fully exploits the vehicle's agility.

Mettler, Bernard↗
NASA NTRS2009

Testing First-Order Logic Axioms in AutoCert

AutoCert [2] is a formal verification tool for machine generated code in safety critical domains, such as aerospace control code generated from MathWorks Real-Time Workshop. AutoCert uses Automated Theorem Provers (ATPs) [5] based on First-Order Logic (FOL) to formally verify safety and functional correctness properties of the code. These ATPs try to build proofs based on user provided domain-specific axioms, which can be arbitrary First-Order Formulas (FOFs). These axioms are the most crucial part of the trusted base, since proofs can be submitted to a proof checker removing the need to trust the prover and AutoCert itself plays the part of checking the code generator. However, formulating axioms correctly (i.e. precisely as the user had really intended) is non-trivial in practice. The challenge of axiomatization arise from several dimensions. First, the domain knowledge has its own complexity. AutoCert has been used to verify mathematical requirements on navigation software that carries out various geometric coordinate transformations involving matrices and quaternions. Axiomatic theories for such constructs are complex enough that mistakes are not uncommon. Second, adjusting axioms for ATPs can add even more complexity. The axioms frequently need to be modified in order to have them in a form suitable for use with ATPs. Such modifications tend to obscure the axioms further. Thirdly, speculating validity of the axioms from the output of existing ATPs is very hard since theorem provers typically do not give any examples or counterexamples.

Ahn, Ki Yung↗
NASA NTRS2018

Comparison of MERRA-2 and ECCO-V4 Ocean Surface Heat Fluxes: Consequences of Different Forcing Feedbacks on Ocean Circulation and Implications for Climate Data Assimilation

Forcing ocean models with reanalysis data is a common practice in ocean modeling. As part of this practice, prescribed atmospheric state variables and interactive ocean SST (Sea Surface Temperature) are used to calculate fluxes between the ocean and the atmosphere. When forcing an ocean model with reanalysis fields, errors in the reanalysis data, errors in the ocean model and errors in the forcing formulation will generate a different solution compared to other ocean reanalysis solutions (which also have their own errors). As a first step towards a consistent coupled ocean-atmosphere reanalysis, we compare surface heat fluxes from a state-of-the-art atmospheric reanalysis, the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), to heat fluxes from a state-of-the-art oceanic reanalysis, the Estimating the Circulation and Climate of the Ocean Version 4, Release 2 (ECCO-v4). Then, we investigate the errors associated with the MITgcm (Massachusetts Institute of Technology general circulation model) ocean model in its ECCO-v4 ocean reanalysis configuration (1992-2011) when it is forced with MERRA- 2 atmospheric reanalysis fields instead of with the ECCO-v4 adjoint optimized ERA-interim state variables. This is done by forcing ECCO-v4 ocean with and without feedbacks from MERRA-2 related to turbulent fluxes of heat and moisture and the outgoing long wave radiation. In addition, we introduce an intermediate forcing method that includes only the feedback from the interactive outgoing long wave radiation. The resulting ocean circulation is compared with ECCO-v4 reanalysis and in-situ observations. We show that, without feedbacks, imbalances in the energy and the hydrological cycles of MERRA-2 (which are directly related to the fact it was created without interactive ocean) result in considerable SST drifts and a large reduction in sea level. The bulk formulae and interactive outgoing long wave radiation, although providing air-sea feedbacks and reducing model-data misfit, strongly relax the ocean to observed SST and may result in unwanted features such as large change in the water budget. These features have implications in a desired forcing recipe to be used. The results strongly and unambiguously argue for next generation data assimilation climate studies to involve fully coupled systems.

MERRA-2↗
NASA NTRS2020

Computationally-efficient Structural Models for Analysis of Woven Composites

The paper presents a novel approach to model woven composite using the computationally efficient one-dimensional models. The framework is built within the scheme of the Carrera Unified Formulation (CUF), a generalized hierarchical formulation that generates variable kinematic structural theories. Various components of the woven composite unit cell are modeled using a combination of straight and curved one-dimensional CUF models. By employing a component-wise approach, a modeling technique within CUF, the complex geometry of the woven composite components is modeled precisely. The ability of CUF models to accurately resolve stress and strain fields are exploited to capture complex deformation within a woven composite unit cell. Numerical results include analyses of a non-crimped textile composite, a curved tow under tension, and a dry woven textile unit cell.

Kaleel, Ibrahim↗
NASA NTRSDate not supplied

Lunar Mega Project: Processes, Work Flow and Terminology of the Terrestrial Construction Industry versus the Space Industry

Recent developments around the world show an increased interest and international activity toward developing a lunar surface human and robotic presence with a long term, sustainable vision. In Europe, the construction of a "Moon Village" has been proposed, and China has stated its intention to build a research station with a crew at the lunar South Pole. Russia stated it will land cosmonauts on the Moon in the 2030's. India has sent an orbiter, a robotic lander, and rover to the Moon. The USA intends to land the first woman and a man on the Moon by 2024 to initiate a sustained human lunar presence.A lunar research station with associated commercial activities will require infrastructure to become a permanent capability. Landing and launch pads, propellant storage and distribution farms, spacecraft access and handling structures, cranes, blast protection berms or walls, roads, graded areas, dust stabilized areas, foundations, parking lots, radiation shelters, micro-meteorite protection hangars, habitats and other human shelters, greenhouse farms, utility trenches, power plants, industrial water and oxygen extraction plants, communications antenna towers, thermal protection, mining zones, crater access and sub-surface access will be required to create a safe and sustainable lunar operations capability. This infrastructure will require significant construction activities in an extreme environment, with risky and expensive operations. On Earth, there are similar large and expensive projects (>$1 Billion) in difficult locations that attract a lot of public attention. These are known as "Mega Projects" and examples include bridges, tunnels, highways, railways, airports, seaports, power plants, dams, wastewater projects, Special Economic Zones (SEZ), oil and natural gas extraction projects, public buildings, information technology systems, aerospace projects, and weapons systems. Large consortiums consisting of public and private entities typically implement these infrastructure Mega-Projects.This paper will compare the typical design process, project management process, and work flow in the terrestrial construction industry to the space industry in order to create a better understanding between the terrestrial construction industry and the space industry, to further enable collaboration on a lunar Mega Project to build infrastructure on the Moon. In addition, a glossary of respective industry terminology with annotated linkages and definitions has been compiled. This information will enable contracts and business practices to be formulated for generating requests for proposals (RFP) by governments to consortiums consisting of construction and space industry companies that will bid on Lunar Infrastructure Projects that could lead to contracts to build the permanent capabilities.

Robert P Mueller↗
NASA NTRS2001

DAO's Next Generation Physical-Space/Finite-Volume Data Assimilation System: Formulation and Initial Evaluation

The Physical-space/Finite-volume Data Assimilation System (fvDAS) is the next generation global atmospheric data assimilation system in development at the Data Assimilation Office at NASA's Goddard Space Flight Center. It is based on a new finite-volume general circulation model jointly developed by NASA and NCAR, and on the Physical-Space Statistical Analysis System (PSAS) developed at the DAO. In this talk we will describe the general system formulation, the adaptive quality control and general aspects of the error covariance modeling. The NASA-NCAR GCM is a completely new model which replaces the CEOs GCM used in the previous GEOS-1/2/3 Data Assimilation systems. A particular configuration of adaptive Statistical Quality Control and the Physical-space Statistical Analysis System (PSAS) are currently implemented in DAO's operational Data Assimilation System. However, the unique finite-volume formulation of the NASA-NCAR GCM, combined with the generality of the observation-space formulation of PSAS, provides for a very simple and accurate model-analysis interface. The system assimilates a variety of conventional and satellite observations. In particular, TOVS Level 1B radiances are assimilated using a 1-D variational scheme, both in clear sky and cloudy conditions. Computationally, the fvDAS runs approximately 10 times faster than the operational GEOS-Terra system. We will show that the next-generation fvDAS has much improved observation-minus-6hr forecast (O-F) statistics, as well as 5-day forecast skills. Top of the atmosphere radiation fields are in closer agreement with CERES measurements, with realistic precipitation and moisture fields. We will also show that the finite-volume formulation of the fvDAS produce assimilated fields which are more suitable for driving constituent transport models.

daSilva, A.↗