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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↗
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 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 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.↗
NASA NTRS1976

Orbiter/carrier separation for the ALT free flight no. 1 reference trajectories. Mission planning, mission analysis and software formulation

Details of the generation of the separation trajectories are discussed. The analysis culminated in definition of separation trajectories between physical separation and orbiter/carrier vortex clearance. Specifications, assumptions and analytical approach used to generate the separation trajectories are presented. Results of the analytical approach are evaluated. Conclusions and recommendations are summarized. Supporting references are listed.

Glenn, G. M.↗
NASA NTRS1993

Modelling the Shuttle Remote Manipulator System: Another flexible model

High fidelity elastic system modeling algorithms are discussed. The particular system studied is the Space Shuttle Remote Manipulator System (RMS) undergoing full articulated motion. The model incorporates flexibility via a methodology the author has been developing. The technique is based in variational principles, so rigorous boundary condition generation and weak formulations for the associated partial differential equations are realized, yet the analyst need not integrate by parts. The methodology is formulated using vector-dyad notation with minimal use of tensor notation, therefore the technique is believed to be affable to practicing engineers. The objectives of this work are as follows: (1) determine the efficacy of the modeling method; and (2) determine if the method affords an analyst advantages in the overall modeling and simulation task. Generated out of necessity were Mathematica algorithms that quasi-automate the modeling procedure and simulation development. The project was divided into sections as follows: (1) model development of a simplified manipulator; (2) model development of the full-freedom RMS including a flexible movable base on a six degree of freedom orbiter (a rigid-body is attached to the manipulator end-effector); (3) simulation development for item 2; and (4) comparison to the currently used model of the flexible RMS in the Structures and Mechanics Division of NASA JSC. At the time of the writing of this report, items 3 and 4 above were not complete.

Barhorst, Alan A.↗
DOE OSTI2025

An Optimization-Based Coupling of Reduced Order Models with an Efficient Reduced Adjoint Basis Generation Approach

Optimization-based coupling (OBC) is an attractive alternative to traditional Lagrange multiplier approaches in multiple modeling and simulation contexts. However, application of OBC to time-dependent problems has been hindered by the computational cost of finding the stationary points of the associated Lagrangian, which requires primal and adjoint solves. This issue can be mitigated by using OBC in conjunction with computationally efficient reduced order models (ROMs). To demonstrate the potential of this combination, in this paper, we develop an optimization-based ROM-ROM coupling for a transient advection-diffusion transmission problem. We pursue the “optimize-then-reduce” path toward solving the minimization problem at each time step and solve reduced space adjoint system of equations, where the main challenge in this formulation is the generation of adjoint snapshots and reduced bases for the adjoint systems required by the optimizer. One of the main contributions of the paper is a new technique for an efficient adjoint snapshot collection for gradient-based optimizers in the context of optimization-based ROM-ROM couplings. In conclusion, we present numerical studies demonstrating the accuracy of the approach along with comparison between various approaches for selecting a reduced order basis for the adjoint systems, including decay of snapshot energy, average iteration counts, and timings.

coupled problems↗
NASA NTRS1999

A Preliminary Study on the Vapor/Mist Phase Lubrication of a Spur Gearbox

Organophosphates have been the primary compounds used in vapor/mist phase lubrication studies involving ferrous bearing material. Experimental results have indicated that the initial formation of an iron phosphate film on a rubbing ferrous surface, followed by the growth (by cationic diffusion) of a lubricious pyrophosphate-type coating over the iron phosphate, is the reason organophosphates work well as vapor/mist phase lubricants. Recent work, however, has shown that this mechanism leads to the depletion of surface iron atoms and to eventual lubrication failure. A new organophosphate formulation was developed which circumvents surface iron depletion. This formulation was tested by generating an iron phosphate coating on an aluminum surface. The new formulation was then used to vapor/mist phase lubricate a spur gearbox in a preliminary study.

Morales, Wilfredo↗
DOE OSTI2025

Micropolar Elastoplasticity Using a Fast Fourier Transform‐Based Solver

ABSTRACT This work presents a micromechanical spectral formulation for obtaining the full‐field and homogenized response of elastoplastic micropolar composites. A closed‐form radial‐return mapping is derived from thermodynamics‐based micropolar elastoplastic constitutive equations to determine the increment of plastic strain necessary to return the generalized stress state to the yield surface, and the algorithm implementation is verified using the method of numerically manufactured solutions. Then, size‐dependent material response and micro‐plasticity are shown as features that may be efficiently simulated in this micropolar elastoplastic framework. The computational efficiency of the formulation enables the generation of large datasets in reasonable computing times.

42 ENGINEERING↗
NASA NTRS1976

Stochastic sea state for SRB studies

Ocean surface characteristics at two locations were studied for a space shuttle solid rocket booster ocean impact and recovery analysis. Probability distributions of wave heights, wave slopes, wave velocities, ocean currents, and 1-kilometer altitude winds were formulated. Procedures for generating ocean wave simulations are described.

Perlmutter, M.↗