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At least 811 records · Page 45

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NASA NTRS2012

Characterization and Analysis of Triaxially Braided Polymer Composites under Static and Impact Loads

In order to design impact resistant aerospace components made of triaxially-braided polymer matrix composite materials, a need exists to have reliable impact simulation methods and a detailed understanding of the material behavior. Traditional test methods and specimen designs have yielded unrealistic material property data due to material mechanisms such as edge damage. To overcome these deficiencies, various alternative testing geometries such as notched flat coupons have been examined to alleviate difficulties observed with standard test methods. The results from the coupon level tests have been used to characterize and validate a macro level finite element-based model which can be used to simulate the mechanical and impact response of the braided composites. In the analytical model, the triaxial braid unit cell is approximated by using four parallel laminated composites, each with a different fiber layup, which roughly simulates the braid architecture. In the analysis, each of these laminated composites is modeled as a shell element. Currently, each shell element is considered to be a smeared homogeneous material. Simplified micromechanics techniques and lamination theory are used to determine the equivalent stiffness properties of each shell element, and results from the coupon level tests on the braided composite are used to back out the strength properties of each shell element. Recent improvements to the model include the incorporation of strain rate effects into the model. Simulations of ballistic impact tests have been carried out to investigate and verify the analysis approach.

Goldberg, Robert K.↗

DOE OSTI2020

Multiscale Thermomechanical Damage Model with Internal State Variables for Ceramic Matrix Composites

A length scale-dependent matrix damage model has been developed to simulate the response of ceramic matrix composites (CMCs). This model captures damage initiation and propagation in the brittle matrix material by employing internal state variable (ISV) theory within a multiscale modeling framework to obtain damaged matrix stress-strain constitutive relationships at each length scale. Material degradation due to matrix cracking is captured by a damage variable determined using fracture mechanics and the self-consistent scheme. An additional state variable is introduced to capture the nucleation and growth of matrix porosity, a key mechanism contributing to matrix nonlinearity. Porosity occurs as a result of material diffusion around grain boundaries and the growth of the porosity state variable is related to the material entropy dissipation and the volumetric strain. The nonlinear predictive capabilities of the material model are demonstrated for monolithic silicon carbide, unidirectional (UD) carbon fiber/silicon carbide matrix (C/SiC) CMC, and five-harness satin (5HS) woven C/SiC CMC.

Skinner, Travis D.↗

DOE OSTI2014

SU-D-19A-02: Electron and Photon Absorbed Fractions for Tumors of Varying Sizes and Compositions

Purpose: To calculate absorbed fractions for mono-energetic photons and electrons in tumors of varying compositions using Monte Carlo simulations in MCNPX. Although tumor dosimetry has been previously investigated, these studies are very limited as they only consider absorbed fractions for soft-tissue tumors. Methods: The tumors were modeled as spheres with radii ranging from 0.10 cm to 6.0 cm and with compositions varying from 100% soft tissue to 100% bone. The energies of both the photons and electrons were varied from 10 keV to 10 MeV and were homogenously distributed throughout the tumor volume. Furthermore, this investigation addresses the issue of spherical versus elliptical tumors. Both prolate and oblate spheroid tumors of different compositions were modeled, and absorbed fractions were calculated for various electron and photon energies. Results: The data clearly shows an absorbed fraction dependence on tumor composition. For example, a soft-tissue model for a 3 MeV electron emitted in a 1 cm diameter bone tumor would have an 83% error, and this same assumption for a 500 keV photon would yield a 74% error. Ultimately, empirical fits were created for each of the five material compositions in order to facilitate the absorbed fraction calculation, requiring only the tumor size and particle energy. Furthermore, the data shows that absorbed fractions for moderate spheroids can be well approximated by spherical tumors of equal mass to within 8%, but in the extreme cases where the spheroid resembles more of a disk, the errors can be as high as 30%. Conclusion: This comprehensive data set is most valuable for nuclear medicine dosimetry because it incorporates particle type, particle energy, tumor size, and tumor composition. Although mono-energetic particles were modeled, absorbed fractions and S-values may be calculated for any radionuclide via linear interpolation, as long as the particle energies or spectra are known.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1990

The composite load spectra project

Probabilistic methods and generic load models capable of simulating the load spectra that are induced in space propulsion system components are being developed. Four engine component types (the transfer ducts, the turbine blades, the liquid oxygen posts and the turbopump oxidizer discharge duct) were selected as representative hardware examples. The composite load spectra that simulate the probabilistic loads for these components are typically used as the input loads for a probabilistic structural analysis. The knowledge-based system approach used for the composite load spectra project provides an ideal environment for incremental development. The intelligent database paradigm employed in developing the expert system provides a smooth coupling between the numerical processing and the symbolic (information) processing. Large volumes of engine load information and engineering data are stored in database format and managed by a database management system. Numerical procedures for probabilistic load simulation and database management functions are controlled by rule modules. Rules were hard-wired as decision trees into rule modules to perform process control tasks. There are modules to retrieve load information and models. There are modules to select loads and models to carry out quick load calculations or make an input file for full duty-cycle time dependent load simulation. The composite load spectra load expert system implemented today is capable of performing intelligent rocket engine load spectra simulation. Further development of the expert system will provide tutorial capability for users to learn from it.

Newell, J. F.↗

DOE OSTI2023

Enhancing Composite Toughness Through Hierarchical Interphase Formation

High strength and ductility are highly desired in fiber-reinforced composites, yet achieving both simultaneously remains elusive. A hierarchical architecture is developed utilizing high aspect ratio chemically transformable thermoplastic nanofibers that form covalent bonding with the matrix to toughen the fiber-matrix interphase. The nanoscale fibers are electrospun on the micrometer-scale reinforcing carbon fiber, creating a physically intertwined, randomly oriented scaffold. Unlike conventional covalent bonding of matrix molecules with reinforcing fibers, here, the nanofiber scaffold is utilized - interacting non-covalently with core fiber but bridging covalently with polymer matrix - to create a high volume fraction of immobilized matrix or interphase around core reinforcing elements. This mechanism enables efficient fiber-matrix stress transfer and enhances composite toughness. Molecular dynamics simulation reveals enhancement of the fiber-matrix adhesion facilitated by nanofiber-aided hierarchical bonding with the matrix. The elastic modulus contours of interphase regions obtained from atomic force microscopy clearly indicate the formation of stiffer interphase. These nanoengineered composites exhibit a ≈60% and ≈100% improved in-plane shear strength and toughness, respectively. This approach opens a new avenue for manufacturing toughened high-performance composites.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Partial molar properties from molecular simulation using multiple linear regression

Partial molar volumes, energies, and enthalpies can be computed from NpT-Gibbs ensemble simulations through a post-processing procedure that leverages fluctuations in composition, total volume, and total energy of a simulation box. By recording the instantaneous box volumes V and instantaneous number of molecules N i of each of n species for M frames, a large M ×n matrix N is constructed, as well as the M × 1 vector V. The 1 × n vector of partial molar volumes V¯ may then be solved using N • V¯=V. A similar construction permits calculation of partial molar energies using M instantaneous measurements of the total energy of the simulation box, and N • U¯=U. Partial molar enthalpies may be derived from U¯, V¯, and pressure p. These properties may be used to calculate enthalpy and entropy of transfer (absorption, extraction, and adsorption) for species in complex mixtures. The method is demonstrated on three systems in the NpT-Gibbs ensemble: a highly compressible natural gas condensate of methane, n-butane, and n-decane, the liquid-phase adsorption of 1,5-pentanediol and ethanol onto the MFI zeolite, and a relatively incompressible mixture of ethanol, n-dodecane, and water at liquid-liquid equilibrium. Property predictions are compared to those from numerical differentiation of simulation data sequentially changing the composition and from equations of state. Here, the method can also be extended to reaction equilibria in a closed system and is applied to a reactive first-principles Monte Carlo simulation of compressed nitrogen/oxygen.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

A robust alloy design (RAD) strategy for next-generation (IV) nuclear fission reactors

Next-generation nuclear reactors demand structural materials capable of withstanding extreme conditions, including high temperatures, intense neutron flux, and corrosive environments. Multi-Principal Element Alloys (MPEAs) have emerged as promising candidates due to their exceptional radiation tolerance, thermal stability, and compositional flexibility. This study introduces a versatile and customizable Robust Alloy Design (RAD) strategy for systematically designing MPEAs for GEN-IV reactor fuel cladding. The RAD framework integrates nuclear-relevant selection criteria, empirical parameter assessments, and high-throughput CALPHAD simulations to efficiently narrow compositional space and identify stable alloys. A unified RAD score developed for the first time, combines key performance metrics, including fuel-clad chemical interaction (FCCI), neutron absorption cross-section (NAC), valence electron configuration (VEC), and melting point factor (MPF), into a flexible ranking system adaptable to reactor-specific priorities. Among 724 candidates, V555(5Al–5Cr–5Fe–85V) emerged as the top alloy, validated experimentally with a homogeneous single-phase BCC microstructure and superior mechanical properties (nano-indentation: 3.389 ± 0.258 GPa; Vickers hardness: 240 ± 6.7 HV), significantly outperforming Zircaloy-4 and V-4Cr-4Ti. Importantly, the RAD strategy is not limited to nuclear applications; its customizable weighting system enables scalability to other extreme environments. This adaptability positions RAD strategy as a versatile tool for advanced materials design across multiple industries.

Alloy design↗

NASA NTRS1997

Progressive Fracture of Fiber Composite Build-Up Structures

Damage progression and fracture of built-up composite structures is evaluated by using computational simulation. The objective is to examine the behavior and response of a stiffened composite (0/ +/- 45/90)(sub s6) laminate panel by simulating the damage initiation, growth, accumulation, progression and propagation to structural collapse. An integrated computer code, CODSTRAN, was augmented for the simulation of the progressive damage and fracture of built-up composite structures under mechanical loading. Results show that damage initiation and progression have significant effect on the structural response. Influence of the type of loading is investigated on the damage initiation, propagation and final fracture of the build-up composite panel.

Gotsis, Pascal K.↗

DOE OSTI2024

Expanding the Design Space of Polymer–Metal Organic Framework (MOF) Gels by Understanding Polymer–MOF Interactions

The fabrication of polymer-MOF composite gels holds great potential to provide emergent properties for drug delivery, environmental remediation, and catalysis. To leverage the full potential of these composites, we investigated how the presence and chemistry of polymers impact MOF formation within the composites and, in turn, how MOFs impact polymer gelation. We show that polymers with a high density of strongly metal-binding carboxylic acids inhibit MOF formation; however, reducing the density of carboxylic acids or substituting them with weaker metal-binding hydroxyl groups permits both MOF formation and gelation within composites. Preparing composites with poly(ethylene glycol) (PEG), which does not bind MOF zirconium (Zr)-oxo clusters, and observing gelation suggests that MOFs can entrap polymer chains to create cross-links in addition to cross-linking them through polymer-Zr-oxo interactions. Both simulations and experiments show composite hydrogels formed with poly(vinyl alcohol) (PVA) to be more stable than those made with PEG, which can reptate through MOF pores upon heating. We demonstrate the generalizability of this composite formation process across different Zr-based MOFs (UiO-66, NU-901, UiO-67, and MOF-525) and by spin-coating gels into conformable films. PVA-UiO-66 composite hydrogels demonstrated high sorption and sustained release of methylene blue relative to the polymer alone (3× loading, 28× slower release), and PVA-MOF-525 composite hydrogels capably sorb the therapeutic peptide Angiotensin 1–7. By understanding the influence of polymer-MOF interactions on the structure and properties of composite gels, this work informs and expands the design space of this emerging class of materials.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

3D Climate Simulations of Earth-Like Planets with A Range of Atmospheric Composition, Radiative Transfer, Ocean, And Resolution Configurations, Using the New Version of ROCKE-3D

Understanding the climate of terrestrial planetary atmospheres has been increasingly the focus of research worldwide, in light of the increasing amount of rocky planet discoveries orbiting other stars in or near their habitable zone. Here we present simulations with the new version of the 3D climate model ROCKE-3D, whose version 2.0 will soon become publicly available. A wide range of configurations will be supported, compared to a handful ones in its predecessor, version 1.0 (Way et al., 2017). These include two model resolutions (4x5 and 2x2.5), two radiation schemes (GISS and SOCRATES), three atmospheric configurations (Earth-like, Earth-like without O3 and aerosols, and N2-dominated), and three ocean setups (prescribed sea-surface temperatures and ice cover, q-flux, and dynamic). Simulations of all different configuration combinations have been performed and will become available for use by the community. Key results will be presented across those configurations, together of the role of the structural uncertainty in model setup in the resulting climate calculated by the model.

climate simulations of Earth-like planets↗

DOE OSTI2018

Two-dimensional simulations of mixing in classical novae: The effect of white dwarf composition and mass

Context. Classical novae are explosive phenomena that take place in stellar binary systems. They are powered by mass transfer from a low-mass main sequence star onto either a CO or ONe white dwarf. The material accumulates for 104–105 yr until ignition under degenerate conditions, resulting in a thermonuclear runaway. The nuclear energy released produces peak temperatures of ~0.1–0.4 GK. During these events, 10 –7 –10 –3 M ⊙ enriched in intermediate-mass elements, with respect to solar abundances, are ejected into the interstellar medium. Yet, the origin of the large metallicity enhancements and the inhomogeneous distribution of chemical species observed in high-resolution spectra of ejected nova shells is not fully understood. Aims. Recent multidimensional simulations have demonstrated that Kelvin-Helmholtz instabilities that operate at the core-envelope interface can naturally produce self-enrichment of the accreted envelope with material from the underlying white dwarf at levels that agree with observations. Yet, such multidimensional simulations have been performed for a small number of cases and much of the parameter space remains unexplored. Methods. We explored the dredge-up, driven by Kelvin-Helmholtz instabilities, for white dwarf masses in the range 0.8–1.25 M ⊙ and different core compositions, that is, CO-rich and ONe-rich substrates. We present a set of five numerical simulations performed in two dimensions aimed at analyzing the possible impact of the white dwarf mass, and composition, on the metallicity enhancement and explosion characteristics. Results. At the time we stop the simulations, we observe greater mixing (~30% higher when measured in the same conditions) and more energetic outbursts for ONe-rich substrates than for CO-rich substrates and more massive white dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Beam-contamination-induced compositional alteration and its neutron-atypical consequences in ion simulation of neutron-induced void swelling

Although accelerator-based ion irradiation has been widely accepted to simulate neutron damage, neutron-atypical features need to be carefully investigated. In this study, we have shown that Coulomb force drag by ion beams can introduce significant amounts of carbon, nitrogen, and oxygen into target materials even under ultra-high vacuum conditions. The resulting compositional and microstructural changes dramatically suppress void swelling. By applying a beam-filtering technique, introduction of vacuum contaminants is greatly minimized and the true swelling resistance of the alloys is revealed and matches neutron behavior closely. These findings are a significant step toward developing standardized procedures for emulating neutron damage.

36 MATERIALS SCIENCE↗

NASA NTRS2000

From Interstellar PAHs and Ices to the Origin of Life

Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to micron-sized cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In dense molecular clouds, the birthplace of stars and planets, these cold dust particles are coated with mixed molecular ices whose composition is very well constrained. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by earlier interstellar chemistry standards, is widespread throughout the Universe. The first part of this lecture will describe how infrared studies of interstellar space, combined with laboratory simulations, have revealed the composition of interstellar ices (the building blocks of comets) and the high abundance and nature of interstellar PAHs. The laboratory database has now enabled us to gain insight into the identities, concentrations, and physical state of many interstellar materials. Within a dense molecular cloud, and especially in the solar nebula during the star and planet formation stage, the materials frozen into interstellar/precometary ices are photoprocessed by ultraviolet light, producing more complex molecules. The remainder of the presentation will focus on the photochemical evolution of these materials and the possible role of these compounds on the early Earth. As these materials are thought to be the building blocks of comets and related to the carbonaceous components of micrometeorites, they are likely to have been important sources of complex organic materials on the early Earth and their composition may be related to the origin of life.

Allamandola, Louis J.↗

NASA NTRS2004

From Interstellar Polycyclic Aromatic Hydrocarbons and Ice to the Origin of Life

Tremendous strides have been made in our understanding of interstellar material over the past twenty years thanks to significant, parallel developments in observational astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely guessed at, the concept of ices in dense molecular clouds ignored, and the notion of large, abundant, gas phase, carbon rich molecules widespread throughout the interstellar medium (ISM) considered impossible. Today the composition of dust in the diffuse ISM is reasonably well constrained to cold refractory materials comprised of amorphous and crystalline silicates mixed with an amorphous carbonaceous material containing aromatic structural units and short, branched aliphatic chains. In the dense ISM, the birthplace of stars and planets, these cold dust particles are coated with mixed molecular ices whose composition is very well constrained. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by early interstellar chemistry standards, is widespread throughout the Universe. The first part of this talk will describe how infrared studies of interstellar space, combined with laboratory simulations, have revealed the composition of interstellar ices (the building blocks of comets) and the high abundance and nature of interstellar PAHs. The laboratory database has now enabled us to gain insight into the identities, abundances, and physical state of many interstellar materials. Within a dense molecular cloud, and especially in the presolar nebula, the materials frozen into the interstellar/precometary ices are photoprocessed by ultraviolet light and produce more complex molecules. The remainder of the presentation will focus on the photochemical evolution of these materials and the possible role of these compounds on the to the carbonaceous components of micrometeorites, they are likely to have been important sources of complex materials on the early Earth and their composition may be related to the origin of life.

Allamandola, Louis↗

NASA NTRS1986

Thermal modeling of a metallic thermal protection tile for entry vehicles

The thermal Energy Flow Simulation (TEFS) computer program was developed to simulate transient heat transfer through composite solids and predict interfacial temperatures. The program and its usage are described. A simulation of the thermal response of a new thermal protection tile design for the Space Shuttle Orbiter is presented and graphically compared with actual data. An example is also provided which shows the program's usage as a design tool for theoretical models.

Wiese, M. R.↗

NASA NTRS1992

User's guide to resin infusion simulation program in the FORTRAN language

RTMCL is a user friendly computer code which simulates the manufacture of fabric composites by the resin infusion process. The computer code is based on the process simulation model described in reference 1. Included in the user's guide is a detailed step by step description of how to run the program and enter and modify the input data set. Sample input and output files are included along with an explanation of the results. Finally, a complete listing of the program is provided.

Weideman, Mark H.↗

NASA NTRS1993

IPACS (Integrated Probabilistic Assessment of Composite Structures): Code development and applications

A methodology and attendant computer code have been developed and are described to computationally simulate the uncertain behavior of composite structures. The uncertain behavior includes buckling loads, stress concentration factors, displacements, stress/strain etc., which are the consequences of the inherent uncertainties (scatter) in the primitive (independent random) variables (constituent, ply, laminate and structural) that describe the composite structures. The computer code, IPACS (Integrated Probabilistic Assessment of Composite Structures), can handle both composite mechanics and composite structures. Application to probabilistic composite mechanics is illustrated by its uses to evaluate the uncertainties in the major Poisson's ratio and in laminate stiffness and strength. IPACS application to probabilistic structural analysis is illustrated by its use to evaluate the uncertainties in the buckling of a composite plate, in the stress concentration factor in a composite panel and in the vertical displacement and ply stress in a composite aircraft wing segment.

Chamis, C. C.↗

NASA NTRS2014

Additive Construction using Basalt Regolith Fines

Planetary surfaces are often covered in regolith (crushed rock), whose geologic origin is largely basalt. The lunar surface is made of small-particulate regolith and areas of boulders located in the vicinity of craters. Regolith composition also varies with location, reflecting the local bedrock geology and the nature and efficiency of the micrometeorite-impact processes. In the lowland mare areas (suitable for habitation), the regolith is composed of small granules (20 - 100 microns average size) of mare basalt and volcanic glass. Impacting micrometeorites may cause local melting, and the formation of larger glassy particles, and this regolith may contain 10-80% glass. Studies of lunar regolith are traditionally conducted with lunar regolith simulant (reconstructed soil with compositions patterned after the lunar samples returned by Apollo). The NASA Kennedy Space Center (KSC) Granular Mechanics & Regolith Operations (GMRO) lab has identified a low fidelity but economical geo-technical simulant designated as Black Point-1 (BP-1). It was found at the site of the Arizona Desert Research and Technology Studies (RATS) analog field test site at the Black Point lava flow in adjacent basalt quarry spoil mounds. This paper summarizes activities at KSC regarding the utilization of BP-1 basalt regolith and comparative work with lunar basalt simulant JSC-1A as a building material for robotic additive construction of large structures. In an effort to reduce the import or in-situ fabrication of binder additives, we focused this work on in-situ processing of regolith for construction in a single-step process after its excavation. High-temperature melting of regolith involves techniques used in glassmaking and casting (with melts of lower density and higher viscosity than those of metals), producing basaltic glass with high durability and low abrasive wear. Most Lunar simulants melt at temperatures above 1100 C, although melt processing of terrestrial regolith at 1500 C is not uncommon. These temperatures are achievable by laser heating or by using solar concentrators. Similar to volcanic magma, the cooling rate determines the crystallite size - slower cooling develops larger crystals, and rapid quenching can result in fully amorphous glass.

Additive↗