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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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Properties and performance of lignin-based polyurethane foams from lignin and castor oil as synergistic bio-polyols

Lignin and castor oil with intrinsic hydroxyl groups are attractive green resources for polyurethane (PU) applications. However, lignin's heterogeneous and highly crosslinked structure, poor processability, as well as the feedstock variability, lead to inconsistent and poor performance of the final foam products. Castor oil-based polyurethane foam (PUF) has a relatively high price and density, which are big hurdles to its practical applications. Here, in this study, we hypothesized that synergistic bio-polyol mixtures composed of lignin and castor oil could balance the drawbacks from individual component. Castor oil could improve the dispersity of lignin, while lignin simultaneously addressed the issues caused by PUF prepared with castor oil, such as its high density and low thermal stability. For a comprehensive understanding of the effects of structural properties of lignin on its PUF processing and applications, various lignin fractions were isolated by co-solvent enhanced lignocellulosic fractionation (CELF) from different species, including hardwood, softwood, and herbaceous plants, and the processed lignins with different molecular weights were applied with castor oil. The lignin fractions with lower molecular weight showed good dispersity in castor oil with a high lignin content (up to 50 wt%) and completely replaced petroleum-based polyols. The produced foam with 50 wt% low-molecular-weight lignin fractions from woody biomass showed comparable/higher compressive strength (up to 20 psi) and thermal insulation performance (up to 5.69 R-value in −1 for 50 % L-Pine foam). In addition, this study revealed the relationship between lignin's structural properties and foam performance, providing insights for practical applications of lignin-based PUF.

Jeong, Soyeon [State Univ. of New York (SUNY), Syr↗
DOE OSTI2024

Invertible Temper Modeling using Normalizing Flows and the Effects of Structure Preserving Loss

Advanced manufacturing research and development is typically small-scale, owing to costly experiments associated with these novel processes. Deep learning techniques could help accelerate this development cycle but frequently struggle in small-data regimes like the advanced manufacturing space. While prior work has applied deep learning to modeling visually plausible advanced manufacturing microstructures, little work has been done on data-driven modeling of how microstructures are affected by heat treatment, or assessing the degree to which synthetic microstructures are able to support existing workflows. We propose to address this gap by using invertible neural networks (normalizing flows) to model the effects of heat treatment, e.g., tempering. The model is developed using scanning electron microscope imagery from samples produced using shear-assisted processing and extrusion (ShAPE) manufacturing. This approach not only produces visually and topologically plausible samples, but also captures information related to a sample’s material properties or experimental process parameters. We also demonstrate that topological data analysis, used in prior work to characterize microstructures, can also be used to stabilize model training, preserve structure, and improve downstream results. We assess directions for future work and identify our approach as an important step towards end-to-end deep learning system for accelerating advanced manufacturing research and development.

Howland, Sylvia↗
NASA NTRS1997

A Novel Microcharacterization Technique in the Measurement of Strain and Orientation Gradient in Advanced Materials

Representation of morphology and evolution of the microstructure during processing and their relation to properties requires proper experimental techniques. Residual strains, lattice distortion, and texture (micro-texture) at the interface and the matrix of a layered structure or a functionally gradient material and their variation are among parameters important in materials characterization but hard to measure with present experimental techniques. Current techniques available to measure changes in interred material parameters (residual stress, micro-texture, microplasticity) produce results which are either qualitative or unreliable. This problem becomes even more complicated in the case of a temperature variation. These parameters affect many of the mechanical properties of advanced materials including stress-strain relation, ductility, creep, and fatigue. A review of some novel experimental techniques using recent advances in electron microscopy is presented here to measure internal stress, (micro)texture, interracial strength and (sub)grain formation and realignment. Two of these techniques are combined in the chamber of an Environmental Scanning Electron Microscope to measure strain and orientation gradients in advanced materials. These techniques which include Backscattered Kikuchi Diffractometry (BKD) and Microscopic Strain Field Analysis are used to characterize metallic and intermetallic matrix composites and superplastic materials. These techniques are compared with the more conventional x-ray diffraction and indentation techniques.

Garmestai, H.↗
DOE OSTI2024

Stress localization investigation of additively manufactured GRCop-42 thin-wall structure

A full-field crystal plasticity (CP) framework is presented for the GRCop-42 alloy to study microscopic mechanical behavior and local stress heterogeneities. The microstructures of additively manufactured (AM) materials are often unique relative to conventionally processed materials, and the local thermal histories drive these differences during the build process. These thermal histories depend on the process parameters (laser power, scan speed, and scan strategy) and the part geometry. Prior research has shown that the mechanical properties of thin-walled structures can vary significantly with wall thickness due to changes in the thermal boundary conditions during manufacturing. It is, therefore, desirable to perform CP simulations based on the phenomenological constitutive model to predict the local mechanical responses induced by microstructural heterogeneities. This work generates representative microstructures based on experimentally collected grain information (i.e., texture) for grain scale stress analysis, and the material constitutive parameters are calibrated using the experimental mechanical testing data. Here, we specifically investigated the effect of crystallographic texture and grain morphologies on the size-dependent mechanical properties of AM GRCop-42. The selection of appropriate material properties for implementing an effective free surface boundary condition and the influence of adjacent buffer layers are also discussed. Analysis of local field results reveals a strong correlation between stress localization and the initial grain orientation. However, no significant relationship between the misorientation of the individual adjacent grains and the average misorientation is observed.

36 MATERIALS SCIENCE↗
NASA NTRS2021

Molecular Dynamics Investigation of the Structural and Mechanical Properties of Off-Stoichiometric Epoxy Resins

Molecular dynamic (MD) simulations were performed to compute the mechanical properties of off-stoichiometric epoxy resins as a function of hardener/epoxy mixture ratio (r). Properties were characterized in relation to their microscopic structures. Such resins have been used recently for adhesive-free bonding of large-scale composite structures using the co-curing-ply method. In this process, two partially precured composite panels with hardener-poor (HP) off-stoichiometric resins are coupled with ply(ies) of complementary hardener-rich (HR) formulations and then cured simultaneously. This bonding process has the potential to produce reliable and certifiable composite joints without the need for additional fasteners, which are often required for many conventional bonding methods because even small amounts of contamination can cause a weak bond. The reflow and mixing of the HP/HR resin in this bonding process result in a joint with no discernable interface that should not be susceptible to surface contamination. However, incomplete mixing of the two offset resins may result in chemical heterogeneity of the cured polymeric joint. Thus, different r values may be obtained across the joint. Classical MD simulations were performed to compute the Young’s modulus of polymers with different r values and correlate their properties to network structures. High stiffness was associated with molecular packing due to chemical crosslinking, leading to a single network structure. Moreover, the networks became denser as the ratio approached the stoichiometric value r = 1. Thus, the r = 1 systems were single clusters, with high stiffness, high molecular weight, and a high degree of crosslinking. Structural properties such as radius of gyration and mean square displacement were determined to investigate the variation in the stiffness with respect to r. This MD simulation study was validated with experimental measurements.

Chang Woon Jang↗
NASA NTRS2018

Modeling-Driven Damage Tolerant Design of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composite Panels for Full-Scale Aerospace Structures

The objective of this study is to design a new nano graphenecarbon fiberpolymer hybrid composite that can be used for the NASA SLS Composite Exploration Upper Stage (CEUS) forward skirt structure. The new material will improve the resistance to open-hole compression failure of the structure relative to traditional polymer fiber composites. The material is designed rapidly and with little cost using the Integrated Computational Materials Engineering (ICME) approach. Multiscale modeling and experiments are used to synergistically optimize the material design to yield improved properties and performance by controlling key processing parameters for manufacturing nano-enhanced materials. Specifically, the nanocomposite panel showed a 22 reduction in mass relative to the traditional composite panel, while both designs are equal in terms of ease of manufacture. This potential mass savings corresponds to an estimated 45 savings in materials and manufacturing costs. The multiscale ICME workflow developed for this project can be readily applied to the development of nano-enhanced composite materials and large aerospace structures. In addition, all key aspects of ICME were employed to complete this project including multiscale modeling, experimental characterization and visualization, data management, visualization, error and uncertainty quantification, and education. The results presented herein indicate a dramatic level of success, as well as the power and potential of ICME approach and multiscale modeling for composite materials.

computational mechanics↗
NASA NTRS1973

Light intensity strain analysis

A process is described for the analysis of the strain field of structures subjected to large deformations involving a low modulus substrate having a high modulus, relatively thin coating. The optical properties of transmittance and reflectance are measured for the coated substrate while stressed and unstressed to indicate the strain field for the coated substrate.

Williams, J. G.↗
NASA NTRS1992

Simulation studies for surfaces and materials strength

The progress report for the period May 1, 1992 to October 31, 1992 is presented. During this period investigations were carried out in three areas. Binding energies and high energy binding sites were calculated for carbon atoms deposited on a (2 x 1) dimerized Si(100) surface. Structure- and energy-related properties of defects formed on relaxed diamond surfaces were investigated. Tersoff-type model functions for Si were employed to investigate the energetics of the following processes: (1) neutral monovacancy and divacancy formation and migration energies; (2) neutral bond-centered, site sharing, tetrahedral, and hexagonal self-interstitial formation and migration energies; and (3) the variation of these energies with distance from a bulk site of Frenkel defect formation and from (100) and (111) surfaces. Calculations are included in the appendices.

Halicioglu, Timur↗
NASA NTRS1992

Composite materials for structures on planetary surfaces

The physical and mechanical properties of advanced composite materials as related to their use in structures on planetary surfaces are reviewed. Polymer matrix composites are recommended as the best materials in the first exploration stages. Achievement of mechanical properties, physical properties, improved processability, and ease of assembly required on planetary surfaces depends on the tailorability of composites.

Radford, Donald W.↗
NASA NTRS2008

A Brief Introduction to the Theory of Friction Stir Welding

Friction stir welding (FSW) is a solid state welding process invented in 1991 at The Welding Institute in the United Kingdom. A weld is made in the FSW process by translating a rotating pin along a weld seam so as to stir the sides of the seam together. FSW avoids deleterious effects inherent in melting and is already an important welding process for the aerospace industry, where welds of optimal quality are demanded. The structure of welds determines weld properties. The structure of friction stir welds is determined by the flow field in the weld metal in the vicinity of the weld tool. A simple kinematic model of the FSW flow field developed at Marshall Space Flight Center, which enables the basic features of FSW microstructure to be understood and related to weld process parameters and tool design, is explained.

Nunes, Arthur C., Jr.↗
NASA NTRS1976

Development of a methodology for classifying software errors

A mathematical formalization of the intuition behind classification of software errors is devised and then extended to a classification discipline: Every classification scheme should have an easily discernible mathematical structure and certain properties of the scheme should be decidable (although whether or not these properties hold is relative to the intended use of the scheme). Classification of errors then becomes an iterative process of generalization from actual errors to terms defining the errors together with adjustment of definitions according to the classification discipline. Alternatively, whenever possible, small scale models may be built to give more substance to the definitions. The classification discipline and the difficulties of definition are illustrated by examples of classification schemes from the literature and a new study of observed errors in published papers of programming methodologies.

Gerhart, S. L.↗
NASA NTRS1979

Simulation of auroral double layers

Some basic properties of plasma double layers are deduced from a particle-in-cell computer simulation and related to parallel electric-field structures above the auroral regions. The simulation results on the processes leading to double-layer formation are examined, particularly in relation to the transient stage and double-layer structure and stability. It is concluded that: (1) a large potential difference applied to a finite-length plasma will be concentrated in a shocklike localized region instead of occurring over the entire length of the system; (2) the initial stage in double-layer formation is dominated by a large-potential pulse propagating in the direction of the induced electrostatic drift; (3) the entire potential is dropped over a specific scale length once the double layer has formed; and (4) this scale length is expected to be of the order of 1 km for a double layer above a discrete auroral arc with a potential of 10 kV and the electric-field vector parallel to the magnetic-field vector.

Hubbard, R. F.↗
NASA NTRS1999

Observations of the Thermal Structure and Dynamics of the Martian Atmosphere

Information on the thermal structure of the Martian atmosphere has been obtained using several different techniques, including in situ sounding from decent probes, radio occultations and infrared thermal emission measurements from orbiters, and earth based full-disk microwave measurements. Knowledge of the 3- dimensional atmospheric temperature field and its temporal variation provides an important observational approach to the study of the dynamics of the atmosphere. Comparison of the observed thermal structure with results from a Mars General Circulation Model (MGCM) can be used to refine the model and provide greater insight into the physical processes controlling the dynamics of the atmosphere. Direct assimilation of the temperature observations into an MGCM can also be used to address similar goals. In addition, relatively simple diagnostic models can be applied to the data to directly obtain information on winds and other meteorological properties of the atmosphere. In this overview, we concentrate primarily on the structure retrieved from thermal emission measurements. Additional information is contained in the original extended abstract.

Conrath, B. J.↗
DOE OSTI2024

The Polarity of Co-solvents Regulates the Charge Storage Mechanisms in Supercapacitors with Concentrated Electrolytes

Developing better energy storage devices depends on comprehending the underlying mechanisms involved in charge storage. With the continuous conception of new electrolytes, this task becomes progressively more urgent and complex. An example is the utilization of co-solvated concentrated solutions. While these show promising electrochemical responses, their dynamic properties (especially under confinement) and their relationships with performance are not fully understood. Here, we combined modified step potential electrochemical spectroscopy and quasielastic neutron scattering to investigate systems composed of activated mesoporous carbon (AMC) and concentrated solutions of lithium bis(trifluoromethanesulfonyl)imide in acetonitrile co-solvated with either toluene or acetone. Further, we report that acetone does not impair surface-controlled mechanisms, contrary to the case with toluene, which competes with charged species to populate the AMC’s pores without contributing to charge storage. In turn, toluene promotes a greater overall capacitance owing to Faradaic processes, which may be related to changes in the solvation structures under confinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Effects of Cooling Rates on Self-Reinforced Polyethylene Composites via Multiscale Experimental Characterizations

This study investigates cooling rate effects on self-reinforced polyethylene composites (PE-SRCs), focusing on macroscopic thermal and mechanical properties, and micro- to sub-micron morphologies. Unlike conventional fiber-reinforced composites (e.g., carbon and glass fiber based), cooling rate effects on SRCs remain less studied. PE-SRCs were fabricated from ultrahigh molecular weight polyethylene (UHMWPE) fabric and high-density polyethylene (HDPE) matrix with cooling rates from 0.76°C/min to 425°C/min. Tensile properties, including modulus (~9.5 GPa), strength (~360 MPa), and ultimate elongation (~6%), showed no significant cooling rate dependence. However, thermal analysis revealed melting temperature of HDPE matrix decreased from ~130°C to ~126.5°C with total crystallinity reducing from 84% to 75%. Wide-angle X-ray scattering confirmed decreasing crystallinity but at lower values (67%–59%), as thermal analysis might overestimate crystallinity. Small-angle X-ray scattering showed long period decreased from 24.3 to 17.4 nm, attributed to thinner lamellae and closer packing, suggesting limited crystal growth and faster nucleation. While cooling rates alter melting point and crystalline structures of HDPE matrix, these changes do not translate to substantial impact on macroscale mechanical properties of PE-SRCs. This insensitivity might be related to low interfacial shear strength at PE/PE interfaces, enabling process optimization while maintaining mechanical performance.

Cooling rate↗
DOE OSTI2024

Holographic entropy inequalities and multipartite entanglement

Abstract We study holographic entropy inequalities and their structural properties by making use of a judicious grouping of terms into certain multipartite information quantities. This allows us to recast cumbersome entropic expressions into much simpler ones which share interestingly rigid structures. By performing a systematic search over some of these structures, we are able to discover more than 1800 novel entropy inequalities for six parties, thereby demonstrating that these recastings provide a fruitful generating technique for uncovering new holographic entropy inequalities. In attempting to interpret the corresponding sign-definite quantities as correlation measures, we also obtain a no-go result: the superbalance property of holographic entropy inequalities turns out to preclude them from being monotonic under partial tracing. In the process, we also comment on the geometrical significance of multipartite information quantities and present various structural relations amongst them.

Physics↗
NASA NTRS1985

Fundamental Studies of Low Velocity Impact Resistance of Graphite Fiber Reinforced Polymer Matrix Composites

A study was conducted to relate the impact resistance of graphite fiber reinforced composites with matrix properties through gaining an understanding of the basic mechanics involved in the deformation and fracture process, and the effect of the polymer matrix structure on these mechanisms. It was found that the resin matrix structure influences the composite impact resistance in at least two ways. The integration of flexibilizers into the polymer chain structure tends to reduce the T sub g and the mechanical properties of the polymer. The reduction in the mechanical properties of the matrix does not enhance the composite impact resistance because it allows matrix controlled failure to initiate impact damage. It was found that when the instrumented dropweight impact tester is used as a means for assessing resin toughness, the resin toughness is enhanced by the ability of the clamped specimen to deflect enough to produce sufficient membrane action to support a significant amount of the load. The results of this study indicate that crossplied composite impact resistance is very much dependent on the matrix mechanical properties.

Bowles, K. J.↗
NASA NTRS1985

Advanced fabrication techniques for hydrogen-cooled engine structures

Described is a program for development of coolant passage geometries, material systems, and joining processes that will produce long-life hydrogen-cooled structures for scramjet applications. Tests were performed to establish basic material properties, and samples constructed and evaluated to substantiate fabrication processes and inspection techniques. Results of the study show that the basic goal of increasing the life of hydrogen-cooled structures two orders of magnitude relative to that of the Hypersonic Research Engine can be reached with available means. Estimated life is 19000 cycles for the channels and 16000 cycles for pin-fin coolant passage configurations using Nickel 201. Additional research is required to establish the fatigue characteristics of dissimilar-metal coolant passages (Nickel 201/Inconel 718) and to investigate the embrittling effects of the hydrogen coolant.

Buchmann, O. A.↗