Search NASA⌕ Search

SEARCH · Search NASA

Results for “materials analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

An Integrated Tool for the Coupled Thermal and Mechanical Analysis of Pyrolyzing Heatshield Materials

Materials that pyrolyze at elevated temperature have been commonly used as thermal protection materials in hypersonic flight, and advanced pyrolyzing materials for this purpose continue to be developed. Because of the large temperature gradients that can arise in thermal protection materials, significant thermal stresses can develop. Advanced applications of pyrolytic materials are calling for more complex heatshield configurations, making accurate thermal stress analysis more important, and more challenging. For non-pyrolyzing materials, many finite element codes are available and capable of performing coupled thermal-mechanical analyses. These codes do not, however, have a built-in capability to perform analyses that include pyrolysis effects. When a pyrolyzing material is heated, one or more components of the original virgin material pyrolyze and create a gas. This gas flows away from the pyrolysis zone to the surface, resulting in a reduction in surface heating. A porous residue, referred to as char, remains in place of the virgin material. While the processes involved can be complex, it has been found that a simple physical model in which virgin material reacts to form char and pyrolysis gas, will yield satisfactory analytical results. Specifically, the effects that must be modeled include: (1) Variation of thermal properties (density, specific heat, thermal conductivity) as the material composition changes; (2) Energy released or absorbed by the pyrolysis reactions; (3) Energy convected by the flow of pyrolysis gas from the interior to the surface; (4) The reduction in surface heating due to surface blowing; and (5) Chemical and mass diffusion effects at the surface between the pyrolysis gas and edge gas Computational tools for the one-dimensional thermal analysis these materials exist and have proven to be reliable design tools. The objective of the present work is to extend the analysis capabilities of pyrolyzing materials to axisymmetric configurations, and to couple thermal and mechanical analyses so that thermal stresses may be efficiently and accurately calculated.

Pronchick, Stephen W.↗
DOE OSTI2025

Intermolecular Interactions in Direct Air Capture Materials: Insights from Charge Density Analysis

Direct air capture (DAC) materials enable the removal of CO 2 from the atmosphere, but improving their efficiency requires a detailed understanding of the intermolecular interactions that govern CO 2 sorption and release. Here, we present an experimental electron density study of methylglyoxal-bis(iminoguanidine) (MGBIG), a promising DAC material, using high-resolution X-ray and neutron diffraction data combined with quantum crystallographic analysis. This approach bridges theoretical and experimental data by quantifying electron density distributions and revealing how hydrogen bonds stabilize CO 2 -derived carbonate phases and may influence the desorption behavior. We identify distinct hydrogen-bonding environments in two crystalline carbonate phases: P1, a transient kinetic product, and P3, a thermodynamically stable phase. Multipolar refinement and electrostatic potential and multipole moment calculations precisely map electron density distributions, revealing key hydrogen bonds involved in CO 2 capture. Topological analysis of electron density highlights a cooperative hydrogen-bonding network in the thermodynamically favored P3 phase, where enhanced electron density delocalization and water-mediated interactions contribute to a more stable lattice. Energetic analyses confirm that stronger hydrogen bonding networks enhance the stability of P3 with a binding energy of −607.0 kJ/mol and greater lattice stability (−847.3 kJ/mol) compared to P1 (−302.5 and −571.0 kJ/mol, respectively). Electrostatic potential maps further illustrate polarization patterns that may influence the stability of the binding of CO 2 and release conditions. These findings establish a direct experimental framework for linking electron density distributions to intermolecular interactions in DAC materials, providing a rational design strategy for optimizing sorbents with improved CO 2 capture efficiency and reduced energy demands.

Electron density↗
NASA NTRS1985

Unified constitutive material models for nonlinear finite-element structural analysis

Unified constitutive material models were developed for structural analyses of aircraft gas turbine engine components with particular application to isotropic materials used for high-pressure stage turbine blades and vanes. Forms or combinations of models independently proposed by Bodner and Walker were considered. These theories combine time-dependent and time-independent aspects of inelasticity into a continuous spectrum of behavior. This is in sharp contrast to previous classical approaches that partition inelastic strain into uncoupled plastic and creep components. Predicted stress-strain responses from these models were evaluated against monotonic and cyclic test results for uniaxial specimens of two cast nickel-base alloys, B1900+Hf and Rene' 80. Previously obtained tension-torsion test results for Hastelloy X alloy were used to evaluate multiaxial stress-strain cycle predictions. The unified models, as well as appropriate algorithms for integrating the constitutive equations, were implemented in finite-element computer codes.

Kaufman, A.↗
NASA NTRS1985

Unified constitutive material models for nonlinear finite-element structural analysis

Unified constitutive material models were developed for structural analyses of aircraft gas turbine engine components with particular application to isotropic materials used for high-pressure stage turbine blades and vanes. Forms or combinations of models independently proposed by Bodner and Walker were considered. These theories combine time-dependent and time-independent aspects of inelasticity into a continuous spectrum of behavior. This is in sharp contrast to previous classical approaches that partition inelastic strain into uncoupled plastic and creep components. Predicted stress-strain responses from these models were evaluated against monotonic and cyclic test results for uniaxial specimens of two cast nickel-base alloys, B1900+Hf and Rene 80. Previously obtained tension-torsion test results for Hastelloy X alloy were used to evaluate multiaxial stress-strain cycle predictions. The unified models, as well as appropriate algorithms for integrating the constitutive equations, were implemented in finite-element computer codes.

Kaufman, A.↗
DOE OSTI2026

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗
DOE OSTI2024

Screening Analysis of Terrestrial Enhanced Rock Weathering of Igneous Rocks and Industrial Waste Materials

This poster, presented at the 17th Greenhouse Gas Control Technology Conference, reports on an NETL screening level techno-economic assessment of enhanced weathering (EW). EW is a promising emerging carbon dioxide removal approach that involves harnessing and accelerating the natural weathering process by which atmospheric CO2 passively reacts with exposed alkaline minerals and is removed from the atmosphere. Two primary cases utilizing different sources of alkaline material are considered: (1) utilizing naturally occurring mined igneous rocks, and (2) utilizing industrial waste materials. The analysis highlights that utilizing materials with high weathering potential in suitable locations may result in relatively low levelized cost of captured. NETL is publishing a detailed and transparent report titled “Enhanced Weathering: Techno-Economic and Life Cycle Screening Analysis” that includes more detail on the screening level techno-economic analysis and includes a life cycle analysis.

carbon dioxide removal↗
NASA NTRS1982

Some inelastic effects of thermal cycling on ZrO2-Y2O3 materials

An analysis has been developed which relates the effects of inelastic behavior of Y2O3 stabilized ZrO2 (YSZ) materials. The results show these materials to be sensitive to small changes in temperature and are supported by measurements of inelastic behavior in disk and bar specimens at temperatures as low as 1010 C (1850 F). At higher thermomechanical loads, the test specimens can deform to strains greater than 1 percent and for bar specimens, with sufficient strength, to remain bonded to the metallic substrate.

Hendricks, R. C.↗
DOE OSTI2024

Analysis as a Key Guiding Tool for Waste Carbon Utilization

Over a billion metric tons of waste and biomass are projected to be available in a future mature market in the United States. These resources represent an opportunity to decouple chemical and polymer production from conventional fossil fuel feedstocks, but such a broad solution space can also make for challenging decision-making. This talk will provide researchers with an introduction to key analysis techniques such as techno-economic analysis, life cycle assessment, and material flow analysis: how they are conducted and how they can be used to benchmark the costs, environmental impacts, and circularity of new innovations as well as to identify opportunities for prioritization and optimization. Using a series of examples related to plastic recycling and chemical manufacturing, we will explore how analysis can guide where and how to leverage waste carbon in supply chains towards a future circular economy.

chemical↗
NASA NTRS2001

Thermal/Pyrolysis Gas Flow Analysis of Carbon Phenolic Material

Provided in this study are predicted in-depth temperature and pyrolysis gas pressure distributions for carbon phenolic materials that are externally heated with a laser source. Governing equations, numerical techniques and comparisons to measured temperature data are also presented. Surface thermochemical conditions were determined using the Aerotherm Chemical Equilibrium (ACE) program. Surface heating simulation used facility calibrated radiative and convective flux levels. Temperatures and pyrolysis gas pressures are predicted using an upgraded form of the SINDA/CMA program that was developed by NASA during the Solid Propulsion Integrity Program (SPIP). Multispecie mass balance, tracking of condensable vapors, high heat rate kinetics, real gas compressibility and reduced mixture viscosity's have been added to the algorithm. In general, surface and in-depth temperature comparisons are very good. Specie partial pressures calculations show that a saturated water-vapor mixture is the main contributor to peak in-depth total pressure. Further, for most of the cases studied, the water-vapor mixture is driven near the critical point and is believed to significantly increase the local heat capacity of the composite material. This phenomenon if not accounted for in analysis models may lead to an over prediction in temperature response in charring regions of the material.

Clayton, J. Louie↗
DOE OSTI2025

On the bulk compaction of brittle granular materials, part I: SeS analysis of axial compression to 4000 MPa

The bulk compaction of granular materials has been studied for decades to interpret and manage responses for soils and powder-based component fabrication, and geophysical, celestial, and ballistic impact. Their bulk or macroscopic compaction response is limited by what occurs at the granular or microstructural scale. Motivation existed to more closely examine that association specific to granular brittle materials (e.g., ceramics and glasses). That examination is offered in a series of three companion papers where Part I describes a new supplemental analysis adopted to bulk compaction response involving relatively high compaction stresses (4000 MPa). Bulk compactions of vitreous silicates and crystalline quartzes were interpreted in three ways, including that of a new analysis that considers the product of void ratio (e) and stress (S) as a function of S, hereafter referred to as “SeS analysis”. In conclusion, the SeS analysis was found to be an informative supplement to conventional bulk compaction analyses because it provides more consistent higher sensitivity for the identification of bulk density rate increase with increasing compaction (softening); a rate increase that arises from the cumulative effect of the onsets and progression of compaction-induced yielding, fracture or comminution, densification, phase change, or combinations thereof occurring at the granular or microstructural scale.

compaction↗
DOE OSTI2024

Imaging and Analysis of Insoluble Electrorefiner Material

Throughout pyroprocessing efforts at the Hot Fuel Examination Facility (HFEF), insoluble material has accumulated in the Electrorefiner (ER) vessel. The objective of this effort was to analyze the accumulated material to determine its origin. Material was removed from the ER salt bath and distilled to remove excess salt prior to performing analysis. Three samples were sent for chemical and isotopic analysis and underwent an ethyl acetate-bromine dissolution to segregate the oxide fraction from the metal fraction. Actinide concentrations were determined using a quadrupole–inductively coupled plasma–mass spectrometer (Q-ICP-MS). Three additional samples were sent for morphologic and elemental analysis by scanning electron microscopy (SEM) with Energy Dispersive X-ray (EDX) analysis at the Irradiated Materials Characterization Laboratory (IMCL). Analyses suggest that the material is primarily composed of UO2. with a small fraction of metal. This study draws no single conclusion as to the origin of the insoluble material in the ER. The particle sizes and morphologies observed in SEM micrographs indicate that the larger particles observed may be a result of introducing material to the ER that has not been completely reduced in Oxide Reduction (OR) operations, which precede electrorefining. Smaller particles may be due to reactions with oxygen and moisture present in HFEF. This research suggests that microscopic analysis of fuel particles before and after OR operations (including after distillation) as well as the uranium product collected on the cathode in the ER would increase understanding about particle morphology within the pyrochemical process.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗