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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 NTRS2012

Local Guided Wavefield Analysis for Characterization of Delaminations in Composites

Delaminations in composite laminates resulting from impact events may be accompanied by minimal indication of damage at the surface. As such, inspection techniques are required to ensure defects are within allowable limits. Conventional ultrasonic scanning techniques have been shown to effectively characterize the size and depth of delaminations but require physical contact with the structure. Alternatively, a noncontact scanning laser vibrometer may be used to measure guided wave propagation in the laminate structure. A local Fourier domain analysis method is presented for processing guided wavefield data to estimate spatially-dependent wavenumber values, which can be used to determine delamination depth. The technique is applied to simulated wavefields and results are analyzed to determine limitations of the technique with regards to determining defect size and depth. Finally, experimental wavefield data obtained in quasi-isotropic carbon fiber reinforced polymer (CFRP) laminates with impact damage is analyzed and wavenumber is measured to an accuracy of 8.5% in the region of shallow delaminations. Keywords: Ultrasonic wavefield imaging, Windowed Fourier transforms, Guided waves, Structural health monitoring, Nondestructive evaluation

Rogge, Matthew D.↗
NASA NTRSDate not supplied

Autonomous Lunar PNT Simulator (ALPS)

In this paper we present a simulation tool that has been used to develop an architecture for a low-cost Position, Navigation and Time (PNT) system to provide PNT services on and around the Moon using non-dedicated low-cost orbital and ground assets. The simulation tool has been developed to be flexible and is capable of modeling and analyzing the many different capabilities and configurations that the non-dedicated assets could support. The tool models the creation of an ad hoc swarm, the localization of this swarm and the subsequent provision of PNT services from this swarm. We present results from several studies of select configurations chosen to reflect existing and future real-world needs and capabilities. Over the next few decades there is expected to be a substantial increase in Lunar missions supporting and inspired by NASA’s Artemis Program. It is expected that a large fraction of these missions will be low cost, utilizing rideshares and CubeSats, just as has seen in Earth orbit over the past decade. Many of these missions will need navigation capabilities but may be unable to support the large power, mass and weight that a weak GNSS or DSN based navigation solution would entail. As Lunar PNT service demand is not likely to be needed over the entire lunar surface 24/7, the creation of a dedicated Lunar GNSS constellation cannot be justified. Hence, our proposed architecture envisions utilizing existing Lunar science and exploration assets to create ad hoc and on demand Lunar PNT swarms capable of providing PNT services to low cost missions. The simulation reflects the two distinct parts of the architecture: the creation of a Lunar PNT swarm using non-dedicated existing assets, and the quantitative modeling of the quality of the PNT services that this swarm provides. To support the former, the simulation supports various swarm localization techniques, including centralized and distributed EKFs both of which support pluggable dynamics models. In modeling the PNT service performance the simulation adopts standard techniques from the GNSS community, including providing degree of precision (DOP) estimates for theoretical end users. Crucially, all asset capabilities, including clock accuracy, independent location self-knowledge and timing measurement precision can be set independently for each asset, reflecting the key concept of utilizing non-dedicated assets. The simulation is predominantly implemented in MATLAB, with GMAT being used for the propagation of orbital assets. The paper will present results from the simulation reflecting the tool’s flexibility and focusing on scenarios that match real-world proposed missions, including scenarios designed to provide PNT support to lunar surface missions similar to NASA Ames' forthcoming VIPER mission. The performance of centralized and decentralized swarm configuration and localization techniques will be compared. Finally, performance of the PNT service provided by an autonomous Lunar PNT swarm will be compared to existing radiometric and weak GNSS methods.

Kelley Elizabeth Hashemi↗
NASA NTRS1990

Numerical derivative techniques for trajectory optimization

The adoption of robust numerical optimization techniques in trajectory simulation programs has resulted in powerful design and analysis tools. These trajectory simulation/optimization programs are widely used, and a representative list includes the GTS system, the POST program, and newer collocation methods such as OTIS and FONPAC. All of these programs rely on optimization algorithms which require objective function and constraint gradient data during the iteration process. However, most trajectory optimization problems lack simple analytical expressions for these derivatives. In the general case a function evaluation involves integrating aerodynamic, propulsive, and gravity forces over multiple trajectory phases with complex control models. With the newer collocation methods, the integration is replaced by defect constraints and cubic approximations for the state. While analytic gradient expressions can sometimes be derived for trajectory optimization problems, the derivation is cumbersome, time consuming, and prone to mistakes. Fortunately, an alternate method exists for the gradient evaluation, namely finite difference approximations. In this paper some finite difference gradient techniques developed for use with the GTS system are presented. These techniques include methods for computing first and second partial derivatives of single and multiple sets of functions. A key feature of these methods is an error control mechanism which automatically adjusts the perturbation size to obtain accurate derivative values.

Hallman, Wayne P.↗
NASA NTRSDate not supplied

Experiment Design and Visualization Techniques for an X-59 Low-boom Variability Study

This presentation outlines the design of experiments approach and data visualization techniques for a simulation study of sonic booms from NASA’s X-59 supersonic aircraft. The X-59 will soon be flown over communities across the contiguous USA as it produces a low-loudness sonic boom, or low-boom. Survey data on human perception of low-booms will be collected to support development of potential future commercial supersonic aircraft noise regulatory standards. The macroscopic atmosphere plays a critical role in the loudness of sonic booms. The extensive sonic boom simulation study presented herein was completed to assess climatological, geographical, and seasonal effects on the variability of the X-59’s low-boom loudness and noise exposure region size in order to inform X-59 community test planning. The loudness and extent of the noise exposure region make up the “sonic boom carpet.” Two spatial and temporal resolutions of atmospheric input data to the simulation were investigated. A Fast Flexible Space-Filling Design was used to select the locations across the USA for the two spatial resolutions. Analysis of simulated X-59 low-boom loudness data within a regional subset of the northeast USA was completed using a bootstrap forest to determine the final spatial and temporal resolution of the countrywide simulation study. Atmospheric profiles from NOAA’s Climate Forecast System Version 2 database were used to generate over one million simulated X-59 carpets at the final selected 138 locations across the USA. Effects of aircraft heading, season, geography, and climate zone on low-boom levels and noise exposure region size were analyzed. Models were developed to estimate loudness metrics throughout the USA for X-59 supersonic cruise overflight, and results were visualized on maps to show geographical and seasonal trends. These results inform regulators and mission planners on expected variations in boom levels and carpet extent from atmospheric variations. Understanding potential carpet variability is important when planning community noise surveys using the X-59.

X-59↗
NASA NTRS2020

GGOS Bureau of Networks and Observations: Network Infrastructure and Related Activities

The GGOS Bureau of Networks and Observations works with the IAG Services (IVS, ILRS, IGS, IDS, IGFS, and PSMSL) to advocate for the expansion and upgrade of space geodesy networks for the maintenance and improvement of the reference frame and other applications, as well as for the integration with other techniques, including absolute gravity and sea level measurements from tide gauges. New sites are being established following the GGOS concept of “core” and co-location sites, and new technologies are being implemented to enhance performance in data yield as well as accuracy. The Bureau continues to meet with organizations to discuss possibilities, including partnerships, for new and expanded participation. The GGOS Network continues to grow as new stations join every year. The Bureau holds meetings frequently, providing the opportunity for representatives from the services to meet and share progress and plans, and to discuss issues of common interest. It also monitors the status and projects the evolution of the network based on information from the current and expected future participants. Of particular interest at the moment is the integration of gravity and tide gauge networks and the forthcoming establishment of the new absolute gravity reference frame. The IAG Committees and Joint Working Groups play an essential role in the Bureau activity. The Standing Committee on Performance Simulations and Architectural Trade-offs (PLATO) uses simulation and analysis techniques to project future network capability and to examine trade-off options. The Committee on Data and Information is working on a strategy for a GGOS metadata system for data products and a more comprehensive long-term plan for an all-inclusive system. The Committee on Satellite Missions is working to enhance communication with the space missions, to advocate for missions that support GGOS goals and to enhance ground systems support. The IERS Working Group on Site Survey and Co-location (also participating in the Bureau) is working to enhance standardization in procedures, outreach and to encourage new survey groups to participate and improve procedures to determine systems’ reference points, a crucial aid in the detection of technique-specific systematic errors. We will give a brief update on the status and projection of the network infrastructure of the next several years, and the progress and plans of the Committees/Working Group in their critical role in enhancing data product quality and accessibility to the users.

Carey Noll↗
NASA NTRS1993

Fast simulation of packet loss rates in a shared buffer communications switch

This paper describes an efficient technique for estimating, via simulation, the probability of buffer overflows in a queueing model that arises in the analysis of ATM (Asynchronous Transfer Mode) communication switches. There are multiple streams of (autocorrelated) traffic feeding the switch that has a buffer of finite capacity. Each stream is designated as either being of high or low priority. When the queue length reaches a certain threshold, only high priority packets are admitted to the switch's buffer. The problem is to estimate the loss rate of high priority packets. An asymptotically optimal importance sampling approach is developed for this rare event simulation problem. In this approach, the importance sampling is done in two distinct phases. In the first phase, an importance sampling change of measure is used to bring the queue length up to the threshold at which low priority packets get rejected. In the second phase, a different importance sampling change of measure is used to move the queue length from the threshold to the buffer capacity.

Chang, Cheng-Shang↗
DOE OSTI2026

A Tensor Network-Based Quantum Algorithm for the Nonlinear 1D Burgers' Equation

In this work, we implement a tensor network-based quantum algorithm to solve unsteady, nonlinear partial differential equations (PDEs). The challenge lies in how to effectively represent, encode, process, and evolve the nonlinear system of PDEs on quantum computers. We will discuss the new techniques using the compressible 1-dimensional (1D) Burgers' equation as an example, because it represents the fundamental nonlinear feature and yet removes certain complexity in physics, allowing us to focus on the design of quantum algorithms. Previous attempts to solve nonlinear PDEs in quantum computation have often involved storing multiple copies of solutions or employing linearizations. Neither is practical due to exponential scaling with evolution time or insufficient solution accuracy. Our framework is based on matrix product states (MPSs) and matrix product operators (MPOs). For example, the velocity field is represented by MPS, whereas the linear and nonlinear spatial differential terms of the velocity field are processed by MPOs. Our primary focus herein is to verify and validate the various tensor network components of the algorithm using solutions obtained by the classical algorithms on high performance computing (HPC) architectures. We use a classical time marching method to demonstrate the functionality of the tensor network operations to model the PDE and their robustness with the time evolution of the system. Our classical simulation results demonstrate the utility of tensor network-based operations in modeling nonlinear PDEs and highlight the necessity as well as potential advantages of using quantum simulations for these techniques.

Gopalakrishnan Meena, Murali [ORNL] (ORCID:0000000↗
NASA NTRS1989

The development of a capability for aerodynamic testing of large-scale wing sections in a simulated natural rain environment

A research technique to obtain large-scale aerodynamic data in a simulated natural rain environment has been developed. A 10-ft chord NACA 64-210 wing section wing section equipped with leading-edge and trailing-edge high-lift devices was tested as part of a program to determine the effect of highly-concentrated, short-duration rainfall on airplane performance. Preliminary dry aerodynamic data are presented for the high-lift configuration at a velocity of 100 knots and an angle of attack of 18 deg. Also, data are presented on rainfield uniformity and rainfall concentration intensity levels obtained during the calibration of the rain simulation system.

Bezos, Gaudy M.↗
NASA NTRS1999

Comparison Analysis Between Nevada and TSS Using a Jet Engine Exhaust Nozzle Test Rig

Thermal analysis in both simple and complex models can require calculating the propagation of radiant energy to and from multiple surfaces. This can be accomplished through simple estimation techniques or complex computationally intense computer modeling simulations. Currently there are a variety of computer analysis techniques used to simulate the propagation of radiant energy, each having advantages and disadvantages. The major objective of this effort was to compare two ray tracing radiation propagation analysis programs (NEVADA and TSS) Net Energy Verification and Determination Analyzer and Thermal Synthesizer System with experimental data. Results from a non-flowing, electrically heated test rig was used to verify the calculated radiant energy propagation from a nozzle geometry that represents an aircraft propulsion nozzle system. In general the programs produced comparable overall results, and results slightly higher then the experimental data. Upon inspection of individual radiation interchange factors, differences were evident and would have been magnified if a more radical model temperature profile was analyzed. Bidirectional reflectivity data (BRDF) was not used do to modeling limitations in TSS. For code comparison purposes, this nozzle geometry represents only one case for one set of analysis conditions. Since each computer code has advantages and disadvantages bases on scope, requirements, and desired accuracy, the usefulness of this single case study may be limiting.

Baumeister, Joseph F.↗
NASA NTRS1993

Mobility analysis, simulation, and scale model testing for the design of wheeled planetary rovers

The use of computer based techniques to model and simulate wheeled rovers on rough natural terrains is considered. Physical models of a prototype vehicle can be used to test the correlation of the simulations in scaled testing. The computer approaches include a quasi-static planar or two dimensional analysis and design tool based on the traction necessary for the vehicle to have imminent mobility. The computer program modeled a six by six wheel drive vehicle of original kinematic configuration, called the Rocker Bogie. The Rocker Bogie was optimized using the quasi-static software with respect to its articulation parameters prior to fabrication of a prototype. In another approach used, the dynamics of the Rocker Bogie vehicle in 3-D space was modeled on an engineering workstation using commercial software. The model included the complex and nonlinear interaction of the tire and terrain. The results of the investigation yielded numerical and graphical results of the rover traversing rough terrain on the earth, moon, and Mars. In addition, animations of the rover excursions were also generated. A prototype vehicle was then used in a series of testbed and field experiments. Correspondence was then established between the computer models and the physical model. The results indicated the utility of the quasi-static tool for configurational design, as well as the predictive ability of the 3-D simulation to model the dynamic behavior of the vehicle over short traverses.

Lindemann, Randel A.↗
DOE OSTI2021

Structurally Driven Environmental Degradation of Friction in MoS2 Films

Abstract We report an investigation of the friction mechanisms of MoS 2 thin films under changing environments and contact conditions using a variety of computational and experimental techniques. Molecular dynamics simulations were used to study the effects of water and molecular oxygen on friction and bonding of MoS 2 lamellae during initial sliding. Characterization via photoelectron emission microscopy (PEEM) and Kelvin probe force microscopy (KPFM) were used to determine work function changes in shear modified material within the top few nanometers of MoS 2 wear scars. The work function was shown to change with contact conditions and environment, and shown by density functional theory (DFT) calculations and literature reports to be correlated with lamellae size and thickness of the basally oriented surface layer. Results from nanoscale simulations and macroscale experiments suggest that the evolution of the friction behavior of MoS 2 is linked primarily to the formation or inhibition of a basally oriented, molecularly thin surface film with long-range order.

Curry, John F.↗
DOE OSTI2018

Modified DHTT Equipment for Crystallization Studies of Mold Slags

The double hot thermocouple technique (DHTT) enables simulations of the temperature gradient at near-service conditions during continuous casting of steel. With the equipment applied so far, a rectangular slag film of even thickness often cannot be achieved. Further, the minimum temperature frequently lies within the slag film. Modified equipment can avoid these disadvantages via the following design features. The entire furnace chamber is heated to the selected temperature of the cold wire, and the minimum temperature is not located within the slag film. Furthermore, the shape of the heating wire is improved, which enables mounting of a thin, rectangular slag film between four platinum wires. This modification allows for investigations on transparent and translucent slags. So far, the results from DHTT investigations were represented via snapshots of the samples at certain experimental times. Therefore, appropriate methods for the graphical representation of the results were suggested: the maximum crystallinity, the time related to certain crystallinities with a dependence on the position within the slag film, and the crystal growth rate. The CaO-MgO-Al{sub 2}O{sub 3}-SiO{sub 2} slag investigated with this equipment was mineralogically examined additionally, and based on thermodynamic calculations, the allocation of temperatures to certain positions within the crystallized slag film was possible.

36 MATERIALS SCIENCE↗
DOE OSTI2023

On Energy Storage Chemistry of Aqueous Zn-Ion Batteries: From Cathode to Anode

Rechargeable aqueous zinc-ion batteries (ZIBs) have resurged in large-scale energy storage applications due to their intrinsic safety, affordability, competitive electrochemical performance, and environmental friendliness. Extensive efforts have been devoted to exploring high-performance cathodes and stable anodes. However, many fundamental issues still hinder the development of aqueous ZIBs. Here, we critically review and assess the energy storage chemistries of aqueous ZIBs for both cathodes and anodes. First, this review presents a comprehensive understanding of the cathode charge storage chemistry, probes the existing deficiencies in mechanism verification, and analyzes contradictions between the experimental results and proposed mechanisms. Then, a detailed summary of the representative cathode materials and corresponding comparative discussion is provided with typical cases encompassing structural features, electrochemical properties, existing drawbacks, and feasible remedies. Subsequently, the fundamental chemical properties, remaining challenges, and improvement strategies of both Zn metal and non-Zn anodes are presented to thoroughly explore the energy storage chemistry of ZIBs and pursue the development of high-performance ZIBs. Furthermore, the progress of mechanistic characterization techniques and theoretical simulation methods used for ZIBs is timely reviewed. Finally, here we provide our perspectives, critical analysis, and insights on the remaining challenges and future directions for development of aqueous ZIBs.

25 ENERGY STORAGE↗
DOE OSTI2017

Plane-Wave DFT Methods for Chemistry

A detailed description of modern plane-wave DFT methods and software (contained in the NWChem package) are described that allow for both geometry optimization and ab initio molecular dynamics simulations. Significant emphasis is placed on aspects of these methods that are of interest to computational chemists and useful for simulating chemistry, including techniques for calculating charged systems, exact exchange (i.e. hybrid DFT methods), and highly efficient AIMD/MM methods. Sample applications on the structure of the goethite+water interface and the hydrolysis of nitroaromatic molecules are described.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2022

Shock compression behavior of stainless steel 316L octet-truss lattice structures

Lattice structures offer desirable mechanical properties for applications of energy absorption and impact mitigation but limited research has been carried out on their shock compression behavior. In this work, the shock compression behavior of stainless steel 316L (SS316L) octet-truss lattice structures was investigated through experimental techniques and numerical simulations. Plate impact experiments with high-speed imaging were conducted at impact velocities of 270 – 390 m/s on lattice specimens with 5x5x10 unit cell geometries additively manufactured (AM) using direct metal laser sintering. High-speed imaging together with digital image correlation was used to extract full-field measurements and define a two-wave structure consisting of an elastic wave and planar compaction (shock) wave which propagated along the impact direction. A linear shock velocity versus particle velocity relation was found to approximate the measurements with a unit slope and a linear fit constant equal to the crushing speed. Furthermore, the shock velocity versus particle velocity relation, full-field measurements, and elastic limit together with the Eulerian form of the Rankine-Hugoniot jump conditions were used to find relations for the stress and internal energy behind the shock. Stress behind the shock increased with relative density and particle velocity, and specific internal energy converged to a single curve similar to that of bulk AM SS316L. Explicit finite element analysis using the Johnson-Cook constitutive model demonstrated similar shock behavior observed in experiments and a linear shock velocity versus particle velocity relation and corresponding Hugoniot calculations were found to be in agreement with experimental results. Numerical simulations confirmed negligible effects of exterior versus interior measurements and further validated the application of one-dimensional shock theory.

42 ENGINEERING↗
DOE OSTI2023

Demonstration of RANS models with wall functions in the spectral element code Nek5000

The spectral element based computational fluid dynamics (CFD) code Nek5000 has been traditionally used for high-fidelity applications, such as direct numerical simulation (DNS) and large eddy simulation (LES). These techniques require very fine numerical resolution to accurately capture turbulent fluctuations which can be prohibitively expensive for users without access to leadership class computing facilities. For broader application and adoption, significant effort has been invested to develop Reynolds-averaged Navier–Stokes (RANS) capabilities in Nek5000. Here, this work presents details of the implementation and demonstration of the standard wall functions for the κ–τ model in Nek5000. Results using the wall-modeled approach are compared to a wall-resolved approach for cases with negligible pressure gradient, viz., channel flow, pipe flow and flow in a reactor subchannel. Results show reasonably good agreement between the two approaches for friction factor and Nusselt number. Some expected differences are identified near the wall. These cases demonstrate the potential for significant computational savings by using much coarser meshes for the wall-modeled approach, with only minor differences between the predicted result. Additionally, several Reynolds numbers up to 1,000,000 are demonstrated for pipe flow and predicted friction factors and Nusselt numbers compared well to available correlations, with the worst below 10%. As the Reynolds number is increased, better agreement is observed between the correlations and the wall-modeled approach. In addition, flow in a molten salt fast reactor (MSFR) core is considered which features an adverse pressure gradient and flow separation. It showcases the inability of standard wall functions to accurately predict flows with adverse pressure gradients. The results, however, match reasonably well in trend in regions of the flow where the boundary layer is attached. Ongoing research is dedicated to include a pressure gradient correction to wall functions to improve the accuracy of flows with separation or reattachment and adverse or favorable pressure gradients.

42 ENGINEERING↗
DOE OSTI2025

NEML2: An efficient and modular multiphysics constitutive modeling library for hybrid computing environments

This paper presents NEML2, an open-source, high-performance library developed for constitutive material modeling, designed to support the flexible and modular development of models for complex material behavior. Building on the foundational structure of its predecessor, NEML, the NEML2 library introduces significant improvements, including enhanced vectorization, automatic differentiation, and seamless integration with PyTorch, facilitating the application of machine learning techniques in material simulations. NEML2 provides a C++ backend with Python bindings, enabling users to create custom material models that can be executed efficiently on both CPU and GPU platforms. The library also supports coupling with Multiphysics simulation frameworks like MOOSE, making it suitable for realistic simulations involving coupled physical processes. Rigorous quality assurance through unit and regression testing ensures the reliability of results, while the extensible, user-friendly design encourages collaboration and reproducibility across the scientific community. This paper provides an overview of NEML2’s architecture, core features, and applications, highlighting its impact on accelerating material qualification and advancing computational methods in materials science.

GPU↗
DOE OSTI2026

pH Regulates Ion Dynamics in Carboxylated Mixed Conductors

Coupled ionic and electronic transport underpins processes as diverse as electrochemical energy conversion, biological signaling, and soft adaptive electronics. Yet, how chemical environments such as pH modulate this coupling at the molecular scale remains poorly understood. Here, we show that the protonation state of carboxylated polythiophenes provides precise chemical control over ion dynamics, doping efficiency, solvent uptake, and mechanical response. Using a suite of multimodal operando techniques, supported by simulations, we reveal that pH dictates the balance of cation/anion uptake during electrochemical doping. Mapping across pH uncovers a quasi-nonswelling regime (≈pH 3–3.5) where charge compensation proceeds with minimal volumetric change yet pronounced stiffening. These findings establish molecular acidity as a general strategy to program ionic preference and mechanical stability, offering design principles for pH-responsive mixed conductors and soft electronic materials that couple ionic, electronic, and mechanical functionality.

PH↗