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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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As composite materials are gaining increased use in aircraft components where impact resistance under high-energy impact conditions is important (such as the turbine engine fan case), the need for accurate material models to simulate the deformation, damage, and failure response of polymer matrix composites under impact conditions is becoming more critical.
We present the current stage of research progress towards a one-pass, completely Machine Learning (ML) based imaging calorimeter reconstruction. The model used is based on Graph Neural Networks (GNNs) and directly analyzes the hits in each HGCAL endcap. The ML algorithm is trained to predict clusters of hits originating from the same incident particle by labeling the hits with the same cluster index. We impose simple criteria to assess whether the hits associated as a cluster by the prediction are matched to those hits resulting from any particular individual incident particles. The algorithm is studied by simulating two tau leptons in each of the two HGCAL endcaps, where each tau may decay according to its measured standard model branching probabilities. The simulation includes the material interaction of the tau decay products which may create additional particles incident upon the calorimeter. Using this varied multiparticle environment we can investigate the application of this reconstruction technique and begin to characterize energy containment and performance.
Relative to the prior manned Apollo and unmanned robotic missions, planned Lunar initiatives are comparatively complex and longer in duration. Individual crew rotations are envisioned to span several months, and various surface systems must function in the Lunar environment for periods of years. As a consequence, an increased understanding of the surface environment is required to engineer and test the associated materials, components, and systems necessary to sustain human habitation and surface operations. The effort described here concerns the analysis of existing simulant materials, with application to Lunar return samples. The interplay between these analyses fulfills the objective of ascertaining the critical properties of regolith itself, and the parallel objective of developing suitable stimulant materials for a variety of engineering applications. Presented here are measurements of the basic physical attributes, i.e. particle size distributions and general shape factors. Also discussed are structural and chemical properties, as determined through a variety of techniques, such as optical microscopy, SEM and TEM microscopy, Mossbauer Spectroscopy, X-ray diffraction, Raman microspectroscopy, inductively coupled argon plasma emission spectroscopy and energy dispersive X-ray fluorescence mapping. A comparative description of currently available stimulant materials is discussed, with implications for more detailed analyses, as well as the requirements for continued refinement of methods for simulant production.
A 1-dimensional material model was developed for simulating the transverse (thickness-direction) loading and unloading response of aluminum honeycomb structure. The model was implemented as a user-defined material subroutine (UMAT) in the commercial finite element analysis code, ABAQUS(Registered TradeMark)/Standard. The UMAT has been applied to analyses for simulating quasi-static indentation tests on aluminum honeycomb-based sandwich plates. Comparison of analysis results with data from these experiments shows overall good agreement. Specifically, analyses of quasi-static indentation tests yielded accurate global specimen responses. Predicted residual indentation was also in reasonable agreement with measured values. Overall, this simple model does not involve a significant computational burden, which makes it more tractable to simulate other damage mechanisms in the same analysis.
Arc-jet facilities play a major role in the development of heat shield materials for entry vehicles because they are capable of producing representative high-enthalpy flow environments. Arc-jet test data is used to certify material performance for a particular mission and to validate or calibrate models of material response during atmospheric entry. Materials used on missions entering Earth s atmosphere are certified in an arc-jet using a simulated air entry environment. Materials used on missions entering the Martian atmosphere should be certified in an arc-jet using a simulated Martian atmosphere entry environment, which requires the use of carbon dioxide. Carbon dioxide has not been used as a test gas in a United States arc-jet facility since the early 1970 s during the certification of materials for the Viking Missions. Materials certified for the Viking missions have been used on every entry mission to Mars since that time. The use of carbon dioxide as a test gas in an arc-jet is again of interest to the thermal protection system community for certification of new heat shield materials that can increase the landed mass capability for Mars bound missions beyond that of Viking and Pathfinder. This paper describes the modification, operation, and performance of the Hypersonic Materials Environmental Test System (HYMETS) arc-jet facility with carbon dioxide as a test gas. A basic comparison of heat fluxes, various bulk properties, and performance characteristics for various Earth and Martian entry environments in HYMETS is provided. The Earth and Martian entry environments consist of a standard Earth atmosphere, an oxygen-rich Earth atmosphere, and a simulated Martian atmosphere. Finally, a preliminary comparison of the HYMETS arc-jet facility to several European plasma facilities is made to place the HYMETS facility in a more global context of arc-jet testing capability.
Prior to selecting a proper porous material for use in simulating the internal port flow of a solid rocket motor (SRM), in cold-flow testing, the flow emerging from porous materials is experimentally investigated. The injection-flow emerging from a porous matrix always exhibits a lumpy velocity profile that is spatially stable and affects the development of the longitudinal port flow. This flow instability, termed pseudoturbulence, is an inherent signature of the porous matrix and is found to generally increase with the wall porosity and with the injection flow rate. Visualization studies further show that the flow from porous walls made from shaving-type material (sintered stainless-steel) exhibits strong recirculation zones that are conspicuously absent in walls made from nodular or spherical material (sintered bronze). Detailed flow visualization observations and hot-film measurements are reported from tests of injection-flow and a coupled cross-flow from different porous wall materials. Based on the experimental data, discussion is provided on the choice of suitable material for SRM model testing while addressing the consequences and shortcomings from such a test.
The goal of this project is to support lunar exploration by simulating and characterizing ice and volatile-rich materials expected to be found at the lunar poles. These materials are highly sensitive to heating, which could significantly alter their composition and prevent scientific studies on lunar samples. During FY19, we obtained materials for and designed a simulated lunar environment, within which volatile-rich simulant could be made. We also refined the procedure for moderate-fidelity lunar simulants at cryogenic temperatures. In FY20, we completed our test setup, and we can now reach cryogenic temperatures and near-lunar pressures with active compositional monitoring of volatiles in the vapor phase. For FY21, we: 1) progressed towards developing sample storage temperature requirements for volatile-rich samples by completing storage testing, along with materials testing for Artemis geologic sampling, 2) obtained instrumentation for solid sample monitoring to characterize solid species, and 3) progressed towards water extraction testing for ISRU. Our test results will directly feed into Artemis science requirements, hardware designs for sample return, vehicle requirements (HLS, Gateway, Orion), and operations planning for lunar exploration activities.
Abstract SPPARKS is an open-source parallel simulation code for developing and running various kinds of on-lattice Monte Carlo models at the atomic or meso scales. It can be used to study the properties of solid-state materials as well as model their dynamic evolution during processing. The modular nature of the code allows new models and diagnostic computations to be added without modification to its core functionality, including its parallel algorithms. A variety of models for microstructural evolution (grain growth), solid-state diffusion, thin film deposition, and additive manufacturing (AM) processes are included in the code. SPPARKS can also be used to implement grid-based algorithms such as phase field or cellular automata models, to run either in tandem with a Monte Carlo method or independently. For very large systems such as AM applications, the Stitch I/O library is included, which enables only a small portion of a huge system to be resident in memory. In this paper we describe SPPARKS and its parallel algorithms and performance, explain how new Monte Carlo models can be added, and highlight a variety of applications which have been developed within the code.
Adamantine is a thermomechanical simulation code that is written in C++ and built on top of deal.II (Arndt et al., 2023), p4est (Burstedde et al., 2011), ArborX (Lebrun-Grandié et al., 2020), Trilinos (The Trilinos Project Team, 2020), and Kokkos (Trott et al., 2022). Adamantine was developed with additive manufacturing in mind and it is particularly well adapted to simulate fused filament fabrication, directed energy deposition, and powder bed fusion. Adamantine employs the finite element method with adaptive mesh refinement to solve a nonlinear anisotropic heat equation, enabling support for various additive manufacturing processes. It can also perform elastoplastic and thermoelastoplastic simulations. It can handle materials in three distinct phases (solid, liquid, and powder) to accurately reflect the physical state during different stages of the manufacturing process. To enhance simulation accuracy, adamantine incorporates data assimilation techniques (Asch et al., 2016). This allows it to integrate experimental data from sensors like thermocouples and infrared (IR) cameras. This combined approach helps account for errors arising from input parameters, material properties, models, and numerical calculations, leading to more realistic simulations that reflect what occurs in a particular print.
The quantum simulation of entangled spin systems can play a central role in quantum magnetic materials discovery. Additionally, the simulation of spectroscopic signatures, such as the dynamical structure factor accessed in inelastic neutron scattering (INS), necessitates a long timescale for circuit evolution. This is because the energy resolution is directly related to the time over which the circuit could be meaningfully evolved. However, canonical Trotterization requires deep circuits precluding such long-time evolution—even for a small number of qubits. Here, in this study, we demonstrate “direct” resource efficient fast-forwarding (REFF) measurements with short-depth circuits that can be used to capture longer time dynamics of spin Hamiltonians. We showcase the results of the dynamics of a quantum spin dimer, the basic quantum unit of emergent many-body spin systems, whose density of states we simulate accurately. The long temporal evolution and measurement of the two-spin correlation functions enable the calculation of the dynamical structure factor S(Q = 0, ω) measured in the neutron scattering cross-section. We exhibit the clarity of the triplet gap and the triplet splitting of the quantum dimer with class-leading fidelity that enables comparison to experimental neutron data. Our results on current circuit hardware outline an important workflow to predict and benchmark against the outputs of INS experiments of quantum magnets.
PVwindow simulates photovoltaic window properties by allowing the user build stacks of thin film materials that compose the window layers. The only needed inputs are the complex refractive indices and thicknesses of the materials. The software will simulate the optical transmission, front reflection, and back reflection of the stack using the transfer matrix method. Properties specific to PV window optics such as visible transmittance and color are also calculated. The optics code extracts the number of absorbed photons in the PV absorber layer and solves the single diode equation to yield theoretical photovoltaic metrics such as power conversion efficiency, fill factor, open circuit voltage, and short circuit current of the PV window when illuminated at an arbitrary angle or from either side of the stack. The software tool ultimately allows researchers to design photovoltaic windows and simulate their properties. The software also exports files that can be read into LBL Window software or into the EnergyPlus and Open Studio building energy modeling software to determine larger scale energy impacts of PV window integration.
One of the objectives of the High Performance Computing and Communication Project's (HPCCP) Numerical Propulsion System Simulation (NPSS) is to provide a common and consistent way to manage applications, data, and engine simulations. The NPSS Configuration Management (CM) File Manager integrated with the Common Desktop Environment (CDE) window management system provides a common look and feel for the configuration management of data, applications, and engine simulations for U.S. engine companies. In addition, CM File Manager provides tools to manage a simulation. Features include managing input files, output files, textual notes, and any other material normally associated with simulation. The CM File Manager includes a generic configuration management Application Program Interface (API) that can be adapted for the configuration management repositories of any U.S. engine company.
Abstract Advective gas transport in bentonite, a possible buffer material in repositories for radioactive materials, is difficult to simulate in numerical continuum models, partly due to the complicated microstructure of bentonite. To generate reliable models of repositories nevertheless, spatially distributed heterogeneous material properties can be used to allow localization of gas flow. In this study, a pore-size-dependent stochastic approach of the gas entry pressure is derived from Mercury Intrusion Porosimetry, which is used to replicate measurements from the LASGIT experiment. In addition, three benchmark tests are simulated to investigate the dependence of heterogeneous distributions of material properties on the mesh discretization, the temporal dependence, and the coupling between the processes influenced by the heterogeneous parameters. The numerical modeling results of the LASGIT experiment show that the onset of gas flow into the system and the subsequent increase in pressure and stress can be well reproduced using heterogeneous distributions. Compared to a model with homogeneous material properties, heterogeneous distributions may allow the generation of dilatancy-controlled microfractures—an important feature with regard to the advective gas flow in bentonites. However, it can be observed that the heterogeneous distributions in LASGIT are less significant, as technical gaps or differences in material types could have a greater impact.
We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to solve problems computationally. The simulation software is controlled through the Python code in Jupyter notebooks. Our experience is that the self-paced problem-solving nature of the project work can facilitate a better in-depth exploration of the course contents. We discuss which aspects of the Ubermag and the project Jupyter ecosystem have been beneficial for the students' learning experience and which could be transferred to similar teaching activities in other subject areas.
The Multi-Factor Interaction Model (MFIM) is used to evaluate the divot weight (foam weight ejected) from the launch external tanks. The multi-factor has sufficient degrees of freedom to evaluate a large number of factors that may contribute to the divot ejection. It also accommodates all interactions by its product form. Each factor has an exponent that satisfies only two points--the initial and final points. The exponent describes a monotonic path from the initial condition to the final. The exponent values are selected so that the described path makes sense in the absence of experimental data. In the present investigation, the data used was obtained by testing simulated specimens in launching conditions. Results show that the MFIM is an effective method of describing the divot weight ejected under the conditions investigated.
Improving the capacity of LiNi x Mn y Co 1-x-y O 2 (NMC) by increasing the Ni content results in materials with poor cycling performance and reduced thermal stability. These problems can be alleviated by creating concentration gradients in the materials, but this requires more expensive batch processing. Herein, a simple process is described that can create a coating that penetrates into the precursor particles, creating unique gradients in the precursor material. The coated material demonstrates improved cycling performance and thermal stability as compared to uncoated materials. Additionally, rapid heating to simulate a thermal runaway event while observing these materials with X-rays gives a deeper understanding of how the coating affects the decomposition process.
J, H, K, L and L-prime broadband and 2.8-3.8 micron narrowband photometric observations have been made of the dark side of Iapetus with circularly variable filter techniques. A 3-micron absorption feature is found which is too deep to be a residual water frost feature from the bright material around the poles. In light of laboratory simulations showing that the dark material must have a strong 3-cm absorption, it is suggested that the material may be a hydrated silicate mixed with a small amount of water frost.
Of the myriad of issues facing lunar exploration and maintaining an extended lunar presence, lunar dust is possibly the most pervasive. These jagged, chemically reactive, electrostatically charged, sometimes magnetic particles can impact every aspect of a lunar surface mission ranging from abrading extra-vehicular activity (EVA) suits to disrupting lunar vehicle thermal management systems to impeding efficacy of excavation equipment to impacting lunar inhabitant health. NASA’s Lunar Occupancy Dust Surface Separation Technologies (LO-DuSST) task, as a part of the broader Lunar Surface Innovation Initiative (LSII) project, seeks to implement synergistic active and passive lunar dust management and mitigation technologies for an array of applications. One such application is protection of power generation capabilities via solar panel arrays. Plasma dust lofting coupled with a piezoelectric-driven vibration technology will be demonstrated on solar panel surfaces contaminated with lunar dust simulant. Intrinsically low adhesion coatings will be applied to these surfaces to enhance dust removal. Electrostatic repulsion in confined geometries and materials to manage high velocity lunar dust wear will also be investigated. Collectively, these active and passive mitigation technologies will facilitate lunar surface operations including occupancy logistics, landing pad operations, power generation, and transportation. Initial results regarding lunar simulant-contaminated solar panel performance experiments, dust lofting using an electron beam, surface interactions of high velocity lunar dust arising from lunar lander plume-surface interactions, and lunar dust simulant-material interaction experiments will be discussed.