Results for “materials simulations” — Page 4

NASA NTRS2018

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

multi-scale modeling↗

NASA NTRS2019

Spectroscopic Behavior of Composite, Black Thermal Paint, Solar Cell, and Multi-layered Insulation Materials in a GEO Simulated Environment

Materials currently populating Earth orbital regimes can be distinguished by comparing remote observational data to that of optical material measurements obtained in the laboratory. Experimentation for this research primarily involved the acquisition of spectroscopic measurements on materials of interest to the telescopic observational community for enhanced space situational awareness. Common spacecraft materials worthy of preeminent analysis for this investigation include a carbon-carbon (c-c) matrix composite, various black thermal paints, a GPS solar cell and three different cover glass components. These materials were subjected to a simulated geosynchronous Earth orbit (GEO) space environment with the intent of observing material optical property behavior over quantitative exposure time. The aforementioned materials have been measured in their pristine and GEO simulated exposed conditions. A reflectance spectrometer and a bi-directional reflectance distribution function (BRDF) optical system have been operated to perform material characterization, optical property analysis, and to further compare such data to telescopic observational data acquired on equal materials.

Reyes, Jacqueline A.↗

NASA NTRSDate not supplied

Stochastic Reconstruction of Ablating Material Properties for Uncertainty Propagation in Material Response Simulations

Explore the source record for details and available documents.

Thermal Protection Materials↗

NASA NTRS1989

Radiation modification of cometary materials: Laboratory simulations

Cosmic rays and solar photons can modify precometary materials, comet surfaces, and ejected cometary materials. This can be of importance for describing the primordial crust of a comet, the composition of the ejected dust, and the degradation of the dust in the solar environment. The laboratory results of interest to radiation modification of materials, the effects of radiation on cometary materials and the relevance of these materials for comet surface analysis, are described.

Johnson, R. E.↗

NASA NTRS1973

Induction simulation of gas core nuclear engine

The design, construction and operation of an induction heated plasma device known as a combined principles simulator is discussed. This device incorporates the major design features of the gas core nuclear rocket engine such as solid feed, propellant seeding, propellant injection through the walls, and a transpiration cooled, choked flow nozzle. Both argon and nitrogen were used as propellant simulating material, and sodium was used for fuel simulating material. In addition, a number of experiments were conducted utilizing depleted uranium as the fuel. The test program revealed that satisfactory operation of this device can be accomplished over a range of operating conditions and provided additional data to confirm the validity of the gas core concept.

Poole, J. W.↗

NASA NTRS1992

Diffraction by a symmetric material junction simulated with generalized sheet transistion conditions

When diffraction by a material discontinuity in a thick dielectric/ferrite slab is treated for the dual integral equation approach (a variation of the Weiner-Hopf method), the resulting solution displays unknown constants, characteristic of the incompleteness associated with the generalized transition conditions employed in modeling a thick slab. The constants can be shown to depend on the geometry and properties of the discontinuity. Their explicit determination by enforcing field continuity across the slab junction is treated. The field internal to the slab is determined by first expressing the field as an expansion of discrete and continuous eigenmodes valid in the exterior and interior slab region. The expansion or mode coefficients are then identified by recasting the Weiner-Hopf solution in a suitable form, enabling the solution constants to be numerically computed by matching the field expansions to the left and right of the slab discontinuity at a discrete set of points.

Ricoy, Mark A.↗

DOE OSTI2022

Multiscale and multiphysics FEA simulation and materials optimization for laser ultrasound transducers

In this study, the relationship between the nanocomposite design and the laser ultrasound transducer (LUT) characteristics was investigated through simulations in multiple scale levels for material behavior, device response, and acoustic wave propagation in media. First, the effects of the nanoparticle size and concentration on the effective properties of composites were quantitatively investigated with the finite element analysis (FEA) method. Second, the effective properties of the nanocomposite were assigned to the layer, which is modeled as a homogeneous material, in the FEA for the LUT simulating the energy conversion from the incident laser to the acoustic wave. Finally, the ultrasound propagation in the water was calculated by a theoretical wave propagation model. The FEA-based prediction was compared with the experimental data in the literature and a theoretical analysis for LUT based on Thermal-Acoustic coupling. As a result, the ultrasound waves on the transducer surface and at a distance in the water could be predicted. Based on the hierarchically integrated prediction procedure, the optimal conditions of the photoacoustic nanocomposites were investigated through the parametric study with the particle size and concentration as variables. The results guide the material designs optimized for different device characteristics, such as high pressure and broad bandwidth.

36 MATERIALS SCIENCE↗

NASA NTRS2024

Assessing Mechanical Properties of Spacecraft Materials under Simulated Low Earth Orbit Atomic Oxygen Conditions

During a space mission, spacecraft surface materials are exposed to various damaging environmental factors including high-energy photons, electrons, atomic oxygen (AO) neutrals and ions, micrometeoroids and orbital debris, vacuum, and large temperature fluctuations. The resulting change in spacecraft material properties can significantly impact the performance and durability of spacecraft systems. Even though all aspects of the space environment can lead to the deterioration of spacecraft components, in low Earth orbit (LEO), the threat posed by AO is especially severe in terms of structural and optical damage, particularly to exterior spacecraft components that are susceptible to oxidation. A comprehensive understanding of material AO-induced weathering is essential for mission planning in the LEO environment. The presented work aims to evaluate the alterations in mechanical properties of selected innovative spacecraft materials and surface electronic system designs, such as Kapton® CR film coated front and back-side with polyimide coating containing AO-resistant filler, Kevlar EXO, and Bendable Electrodynamic Dust Shield (BEDS) architecture, under simulated AO exposure, utilizing the photoelasticity phenomenon in which birefringence is induced in a material when it is subjected to mechanical stress. Changes in stress patterns during the deformation of AO-exposed polymers were assessed using a large-field polariscope under varied deformation types. Patterns of colors were used for qualitative evaluations of residual stress. The stress patterns of the AO-exposed polymers were compared to those of the unexposed ones. Also, these patterns were correlated with data from Bidirectional Reflectance Distribution Function (BRDF) and surface morphology studies.

Yuliya Kuznetsova↗

DOE OSTI2023

Quantum mechanics based non-bonded force field functions for use in molecular dynamics simulations of materials and systems: The nitrogen and oxygen columns

Accurate Force Fields (FFs) are essential for Molecular Dynamics (MD) simulations of the dynamics of realistic materials in terms of atomic-level interactions. The FF parameters of short-range valence interactions can be derived through Quantum Mechanical (QM) calculations on model systems practical for QM (<300 atoms). Similarly, the dynamic electrostatic interactions can be described with methods such as QEq or PQEq that allow charges and polarization to adjust dynamically. However, accurately extracting long-range van der Waals (vdW) interactions from QM calculations poses challenges due to the absence of a definitive method to distinguish between the different energetic components of electrostatics, polarization, vdW, hydrogen bonding, and valence interactions. To do this we use the Perdew–Burke–Ernzerhof flavor of Density Functional Theory, including empirical D3 vdW corrections, to predict the Equation of State for each element (keeping any covalent bonds fixed), from which we obtain the two-body vdW nonbond potential. Here, we extend these calculations to include non-bonded parameters for the N and O columns of the periodic table so that we now describe columns 15 (N), 16 (O), 17 (F), and 18 (Ne) of the periodic table. For these 20 elements, we find that the two-body vdW potentials can all be mapped to a single universal two-body curve, with just three scaling parameters: Re, De, and L. We refer to this as the Universal NonBond (UNB) potential. We expect this to be useful for new MD simulations and a helpful starting point to obtain UNB parameters for the remainder of the periodic table.

Chemistry↗

DOE OSTI2026

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Coupled Material Response Simulations of Dragonfly Capsule and DrEAM Reconstruction

Icarus is a three-dimensional, unstructured, finite-volume material response solver developed at NASA Ames Research Center and has been recently used to analyze the material response of the Dragonfly capsule for a variety of problems. Since the Dragonfly capsule will be instrumented in a similar manner to the Mars 2020 and MSL capsules, it is important to assess how our current simulation tools can aid in understanding Dragonfly Entry Aerosciences Measurements (DrEAM). In this presentation, the Ares multi-physics tool that couples Icarus to the flow and radiation physics of the aerothermal environment will be used to better understand how modeling sensitivities might affect environment reconstructions and our understanding of measured data. Ares couples Icarus to the US3D flow solver and NERO, a reduced-order, finite-volume radiation transport solver and uses a customized time-scale management to enable coupled simulations for a large portion of the Dragonfly trajectory. As a result of the coupling, a more accurate and consistent assessment of modelling sensitivities to aerothermal reconstruction can be assessed. For example, the radiometer is sensitive to the quantity of CN in the flow, which is a byproduct of the free-stream methane but also the pyrolysis gas products injected into the boundary layer due to ablation of the heatshield. Ares will be used to conduct a simulation of the full Dragonfly capsule for 50 seconds of the trajectory. The different aerothermal and material response models will be discussed and the key results will be presented in terms of the simulated thermocouple and radiometer measurements on the backshell.

Ablation↗

NASA NTRS1993

Measurements of the dielectric properties of simulated comet material as part of the KOSI 10 experiment

The dielectric constant epsilon of the snow-mineral used for the comet simulation in the German KOSI 10 experiment was measured in the radio frequency range from 2 to 4 GHz. The traditional microwave bridge method was used, but instead of using a waveguide that contains the sample material small lambda/4 antennas were used as sensors. A change in the dielectric properties indicates a change in density and/or composition, respectively. The method is presented as an analytical tool for measuring such density or composition changes during alteration snow-dust materials. The KOSI (determined from the German: Kometen Simulation) experiments, performed in the Space simulator of the DLR/Institut for Raumsimulation, during the last years revealed many processes that presumably take place on comets. So far, modifications of the internal structure could be identified only during the post-experiment inspection via hardness tests. It was the aim of the KOSI 10 and KOSI 10a experiments to emphasize on a synoptic detection of events like particle emission or crust formation. The composition of the KOSI 10 sample material was an ice-mineral mixture with about 10 percent mineral (olivine) content. An excellent method to investigate the change of the density of the probe material during its exposure to the artificial sun in situ is to do it via the measurement of the dielectric constant. The traditional method to determine epsilon, by using a microwave-bridge to measure the transmission and the reflection factor of the sample material for electromagnetic waves in the radio frequency range, was modified, since the commonly used practice to fill the sample material into a waveguide was not compatible with the need for in situ measurements during the simulation experiment.

Ulamec, S.↗

NASA NTRS1992

Glass fiber processing for the Moon/Mars program: Center director's discretionary fund final report

Glass fiber has been produced from two lunar soil simulants. These two materials simulate lunar mare soil and lunar highland soil compositions, respectively. Short fibers containing recrystallized areas were produced from the as-received simulants. Doping the highland simulant with 8 weight percent B2-O3 yielded a material which could be spun continuously. The effects of lunar gravity on glass fiber formation were studied utilizing NASA's KC-135 aircraft. Gravity was found to play a major role in final fiber diameter.

Tucker, D. S.↗

NASA NTRS1973

Fatigue of supersonic transport materials using simulated flight-by-flight loading

Methods to reduce the fatigue test time for structural materials which are candidates for supersonic transport airplanes were investigated by conducting real-time and accelerated fatigue tests. The tests employed sequences of stresses and temperatures to simulate the flights of a Mach 3 transport airplane. Some of the simulated flights were altered to determine the effect of the design mean stress and the number of stress cycles per flight on fatigue life. Salt solution was also applied in other tests. Notched Ti-8Al-1Mo-1V and Ti-6Al-4V were used in the investigation.

Imig, L. A.↗

NASA NTRS2012

Regolith Derived Heat Shield for Planetary Body Entry and Descent System with In Situ Fabrication

This NIAC project investigated an innovative approach to provide heat shield protection to spacecraft after launch and prior to each EDL thus potentially realizing significant launch mass savings. Heat shields fabricated in situ can provide a thermal-protection system for spacecraft that routinely enter a planetary atmosphere. By fabricating the heat shield with space resources from materials available on moons and asteroids, it is possible to avoid launching the heat-shield mass from Earth. Regolith has extremely good insulating properties and the silicates it contains can be used in the fabrication and molding of thermal-protection materials. Such in situ developed heat shields have been suggested before by Lewis. Prior research efforts have shown that regolith properties can be compatible with very-high temperature resistance. Our project team is highly experienced in regolith processing and thermal protection systems (TPS). Routine access to space and return from any planetary surface requires dealing with heat loads experienced by the spacecraft during reentry. Our team addresses some of the key issues with the EDL of human-scale missions through a highly innovative investigation of heat shields that can be fabricated in space by using local resources on asteroids and moons. Most space missions are one-way trips, dedicated to placing an asset in space for economical or scientific gain. However, for human missions, a very-reliable heat-shield system is necessary to protect the crew from the intense heat experienced at very high entry velocities of approximately 11 km/s at approximately Mach 33 (Apollo). For a human mission to Mars, the return problem is even more difficult, with predicted velocities of up to 14 km/s, at approximately Mach 42 at the Earth-atmosphere entry. In addition to human return, it is very likely that future space-travel architecture will include returning cargo to the Earth, either for scientific purposes or for commercial reasons. Platinum, titanium, helium 3, and other metals, elements and minerals are all high-value commodities in limited supply on Earth, and it may be profitable to mine these substances throughout the Solar System and return them to Earth, if an economical method can be found. To date, several private corporations have been launched to pursue these goals. Because the heat shield is the last element to be used in an Earth-return mission, a high penalty is paid in the propellant mass required to carry the heat shield to the destination and back. If the heat shield could be manufactured in space, and then outfitted on the spacecraft prior to the reentry at Earth, then significant propellant and mass savings could be achieved during launch and space operations. Preliminary mission architecture scenarios are described, which explain the potential benefits that may be derived from using an in-situ fabricated regolith heat shield. In order to prove that this is a feasible technology concept, this project successfully fabricated heat shield materials from mineral simulant materials of lunar and Martian regolith by two methods: 1) Sintering and 2) Binding the simulant with a "room-temperature vulcanizing" (RTV) silicone formulated to withstand high temperatures. Initially a third type of fabrication was planned using the hot waste stream from regolith ISRU processes. This fabrication method was discarded since the resulting samples would be too dense and brittle for heat shields. High temperature flame tests at KSC and subsequent arc jet tests at Ames Research Center (ARC) have proved promising. These coupon tests show favorable materials properties and have the potential to be a new way of fabricating heat shields for space entry into planetary atmospheres.

Hogue, Michael D.↗

NASA NTRS2013

Regolith Derived Heat Shield for Planetary Body Entry and Descent System with In Situ Fabrication

This NIAC project investigated an innovative approach to provide heat shield protection to spacecraft after launch and prior to each EDL thus potentially realizing significant launch mass savings. Heat shields fabricated in situ can provide a thermal-protection system for spacecraft that routinely enter a planetary atmosphere. By fabricating the heat shield with space resources from materials available on moons and asteroids, it is possible to avoid launching the heat-shield mass from Earth. Regolith has extremely good insulating properties and the silicates it contains can be used in the fabrication and molding of thermal-protection materials. Such in situ developed heat shields have been suggested before by Lewis. Prior research efforts have shown that regolith properties can be compatible with very-high temperature resistance. Our project team is highly experienced in regolith processing and thermal protection systems (TPS). Routine access to space and return from any planetary surface requires dealing with heat loads experienced by the spacecraft during reentry. Our team addresses some of the key issues with the EDL of human-scale missions through a highly innovative investigation of heat shields that can be fabricated in space by using local resources on asteroids and moons. Most space missions are one-way trips, dedicated to placing an asset in space for economical or scientific gain. However, for human missions, a very-reliable heat-shield system is necessary to protect the crew from the intense heat experienced at very high entry velocities of approximately 11 km/s at approximately Mach 33 (Apollo). For a human mission to Mars, the return problem is even more difficult, with predicted velocities of up to 14 km/s, at approximately Mach 42 at the Earth-atmosphere entry. In addition to human return, it is very likely that future space-travel architecture will include returning cargo to the Earth, either for scientific purposes or for commercial reasons. Platinum, titanium, helium 3, and other metals, elements and minerals are all high-value commodities in limited supply on Earth, and it may be profitable to mine these substances throughout the Solar System and return them to Earth, if an economical method can be found. To date, several private corporations have been launched to pursue these goals. Because the heat shield is the last element to be used in an Earth-return mission, a high penalty is paid in the propellant mass required to carry the heat shield to the destination and back. If the heat shield could be manufactured in space, and then outfitted on the spacecraft prior to the reentry at Earth, then significant propellant and mass savings could be achieved during launch and space operations. Preliminary mission architecture scenarios are described, which explain the potential benefits that may be derived from using an in-situ fabricated regolith heat shield. In order to prove that this is a feasible technology concept, this project successfully fabricated heat shield materials from mineral simulant materials of lunar and Martian regolith by two methods: 1) Sintering and 2) Binding the simulant with a "room-temperature vulcanizing" (RTV) silicone formulated to withstand high temperatures. Initially a third type of fabrication was planned using the hot waste stream from regolith ISRU processes. This fabrication method was discarded since the resulting samples would be too dense and brittle for heat shields. High temperature flame tests at KSC and subsequent arc jet tests at Ames Research Center (ARC) have proved promising. These coupon tests show favorable materials properties and have the potential to be a new way of fabricating heat shields for space entry into planetary atmospheres.

Hogue, Michael D.↗

NASA NTRS1993

Low Earth orbital atomic oxygen environmental simulation facility for space materials evaluation

Simulation of low Earth orbit atomic oxygen for accelerated exposure in ground-based facilities is necessary for the durability evaluation of space power system component materials for Space Station Freedom (SSF) and future missions. A facility developed at the National Aeronautics and Space Administrations's (NASA) Lewis Research Center provides accelerated rates of exposure to a directed or scattered oxygen beam, vacuum ultraviolet (VUV) radiation, and offers in-situ optical characterization. The facility utilizes an electron-cyclotron resonance (ECR) plasma source to generate a low energy oxygen beam. Total hemispherical spectral reflectance of samples can be measured in situ over the wavelength range of 250 to 2500 nm. Deuterium lamps provide VUV radiation intensity levels in the 115 to 200 nm range of three to five equivalent suns. Retarding potential analyses show distributed ion energies below 30 electron volts (eV) for the operating conditions most suited for high flux, low energy testing. Peak ion energies are below the sputter threshold energy (approximately 30 eV) of the protective coatings on polymers that are evaluated in the facility, thus allowing long duration exposure without sputter erosion. Neutral species are expected to be at thermal energies of approximately .04 eV to .1 eV. The maximum effective flux level based on polyimide Kapton mass loss is 4.4 x 10 exp 6 atoms/((sq. cm)*s), thus providing a highly accelerated testing capability.

Stidham, Curtis R.↗

DOE OSTI2021

Simulating quantum materials with digital quantum computers

Quantum materials exhibit a wide array of exotic phenomena and practically useful properties. A better understanding of these materials can provide deeper insights into fundamental physics in the quantum realm as well as advance technology for entertainment, healthcare, and sustainability. The emergence of digital quantum computers (DQCs), which can efficiently perform quantum simulations that are otherwise intractable on classical computers, provides a promising path forward for testing and analyzing the remarkable, and often counter-intuitive, behavior of quantum materials. Equipped with these new tools, scientists from diverse domains are racing towards achieving physical quantum advantage (i.e., using a quantum computer to learn new physics with a computation that cannot feasibly be run on any classical computer). The aim of this review, therefore, is to provide a summary of progress made towards this goal that is accessible to scientists across the physical sciences. We will first review the available technology and algorithms, and detail the myriad ways to represent materials on quantum computers. Next, we will showcase the simulations that have been successfully performed on currently available DQCs, emphasizing the variety of properties, both static and dynamic, that can be studied with this nascent technology. Finally, we work through two examples of how to map a materials problem onto a DQC, with full code included in the Supplementary Material. It is our hope that this review can serve as an organized overview of progress in the field for domain experts and an accessible introduction to scientists in related fields interested in beginning to perform their own simulations of quantum materials on DQCs.

97 MATHEMATICS AND COMPUTING↗