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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Refined Zigzag Theory for Homogeneous, Laminated Composite, and Sandwich Plates: A Homogeneous Limit Methodology for Zigzag Function Selection

The Refined Zigzag Theory (RZT) for homogeneous, laminated composite, and sandwich plates is presented from a multi-scale formalism starting with the inplane displacement field expressed as a superposition of coarse and fine contributions. The coarse kinematic field is that of first-order shear-deformation theory, whereas the fine kinematic field has a piecewise-linear zigzag distribution through the thickness. The condition of limiting homogeneity of transverse-shear properties is proposed and yields four distinct sets of zigzag functions. By examining elastostatic solutions for highly heterogeneous sandwich plates, the best-performing zigzag functions are identified. The RZT predictive capabilities to model homogeneous and highly heterogeneous sandwich plates are critically assessed, demonstrating its superior efficiency, accuracy ; and a wide range of applicability. The present theory, which is derived from the virtual work principle, is well-suited for developing computationally efficient CO-continuous finite elements, and is thus appropriate for the analysis and design of high-performance load-bearing aerospace structures.

Tessler, Alexander↗
DOE OSTI2016

Electron beam-generated Ar/N{sub 2} plasmas: The effect of nitrogen addition on the brightest argon emission lines

The effect of nitrogen addition on the emission intensities of the brightest argon lines produced in a low pressure argon/nitrogen electron beam-generated plasmas is characterized using optical emission spectroscopy. In particular, a decrease in the intensities of the 811.5 nm and 763.5 nm lines is observed, while the intensity of the 750.4 nm line remains unchanged as nitrogen is added. To explain this phenomenon, a non-equilibrium collisional-radiative model is developed and used to compute the population of argon excited states and line intensities as a function of gas composition. The results show that the addition of nitrogen to argon modifies the electron energy distribution function, reduces the electron temperature, and depopulates Ar metastables in exchange reactions with electrons and N{sub 2} molecules, all of which lead to changes in argon excited states population and thus the emission originating from the Ar 4p levels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1982

Studies of liquid metal surfaces using Auger spectroscopy

The surface composition of liquid gallium-tin alloys is studied in an Auger electron spectrometer as a function of bulk composition and temperature. The sessile drop samples are cleaned by argon ion bombardment sputtering of the liquid. This technique produces surfaces that are entirely free of impurities within the sensitivity of the spectrometer and remain so for many days. Tin is found to be strongly adsorbed at the liquid-vacuum interface. Surface concentrations based on Auger measurements are found to be in reasonably good agreement with values calculated from surface tension measurements interpreted in terms of a monolayer depth distribution model for the adsorbed tin.

Hardy, S.↗
NASA NTRS1991

Fatigue crack growth in a unidirectional SCS-6/Ti-15-3 composite

An investigation was conducted to characterize and model the fatigue crack growth (FCG) behavior of an SCS-6/Ti-15-3 metal matrix composite. Part of the study was conducted using a fatigue loading stage mounted inside a scanning electron microscope (SEM). The results of the study reveal that the fatigue crack growth behavior of the composite is a function of specimen geometry, fiber orientation, and interaction of local stress fields with the highly anisotropic composite. In the case of (0)8 oriented single edge notch specimens and (90)8 oriented compact tension (CT) specimens, the crack growth was normal to the loading direction. However, for the (0)8 CT specimens, the crack grew mostly parallel to the loading and the fiber direction. The unusual fatigue behavior of the (0)8 CT specimens is attributed to the specimen geometry and the associated high tensile bending stresses perpendicular to the fiber direction.

Kantzos, Peter↗
NASA NTRS2019

A Three-Dimensional Thermodynamically Based Function for the Progressive Failure of Unidirectional Composites

A thermodynamically-based work potential theory for modeling progressive damage for laminated, unidirectional composites assuming plane stress (2D Schaperystheory) is extended to three dimensioanl (3D). An internal state variable, S, is defined to account for the dissipated energy due to damage evolution in the form of microstructure changes in the matrix. With the stationary of the total work potential with respect to the internal state variable, a thermodynamically-consistent set of evolution equationsis derived. The internal state variable is related to the transverse and shear modulithrough microdamage functions. In the first part of this work, coupon specimensare prepared to conduct experiments to characterize the relations between the internalstate variable and the transverse modulus as well as shear modulus. The informationis subsequent used for the prediction of three point bending test. In the second partof this work, objectivity is studied. Three separate methods utilizing different definitions of a reduced internal state variable or of the order of the polynomials are used to represent the matrix micro-damage functions are employed. The three methods are implemented in a user defined subroutine within a commercial finite element method software package. Results from numerical simulations of a center-notched composites panel are compared. The agreement in the maximum stress predictions among the three methods indicates that objectivity, with respect to the functional form of themicrodamage functions, is satisfied.

carbon fiber reinforced polymer composites↗
DOE OSTI2014

Nanostructure-Driven Ion Transport in PCBM-Based Polymer Electrolytes

Nanostructure-Driven Ion Transport in PCBM-Based Polymer ElectrolytesChe-Nan Sun1, Thomas A. Zawodzinski1,2, Fei Ren3, Jong Kahk Keum1 and Jihua Chen1, (1)Oak Ridge National Laboratory, (2)The University of Tennessee, (3)Temple University Polyethylene oxide or PEO is an extensively-examined candidate for solid polymer electrolyte materials of lithium ion batteries, and its composite electrolytes has promising ion conductivities.[1-3] Oxide nanoparticles with sizes of 5-10 nm are often introduced into these polymer-based composite electrolytes in order to suppress their room-temperature crystallite formation.1-9 The size, geometry and surface functionality of the added particles were known to largely affect the structure and performance of the blended electrolytes.5,10 In this study, we examined a functionalized-fullerene-based composite electrolytes, providing details in their self-assembled nanostructures, modulus, hardness, as well as temperature-dependent ion-conducting behaviors. To the best of our knowledge, no fullerene-based, lithium conducting, composite electrolyte has been reported previously. Herein we used a bench-mark fullerene derivative, phenyl-C61-butyric acid methyl ester (PCBM) as a model fullerene compound and performed impedance spectroscopy, equivalent circuit modeling, nanoscale elemental mapping (in transmission electron microscope), wide-angle X-ray diffraction, as well as nanoindentation to shed light on a 6-fold enhancement in low temperature (less than 50oC) ion conductivity of PEO - lithium bis(trifluoromethanesulfonyl) imide (LiTFSI)-PCBM electrolytes, along with the underlying changes in nanomorphology , mechanical properties, and crystal structures. Based on a previous density functional theory (DFT) calculation, 11 the interaction energies Ei among PEO polymers is estimated to be 2.58 kcal mol-1 per monomer, the Ei between PCBM and PEO is 3.50 kcal mol-1 per monomer (PCBM is taken as 1 repeat unit), and the Ei among PCBMs themselves is 6.01 kcal mol-1 per monomer. This explains that at very low PCBM weight percentage, without sufficient PCBM-PCBM contacts, it is more energetically favorable for fullerenes to disperse into PEO matrix. However, with higher PCBM concentration, the fullerenes will efficiently pack with each other into domains with gradually increased dimensions. Quantification of PCBM domains is performed by line scan analysis of energy filtered TEM (EFTEM) images. Upon the addition of PCBM, the average domain sizes gradually increase from 3.4±1 nm ( 0% PCBM), to 4.6±1 nm (10% PCBM) and 4.9±2 nm (20% PCBM), and finally to 7.5±5 nm (40% PCBM ). (A precise determination of PCBM domain dimension is not possible when the domain size is less than 3 nm, due to the lack of EFTEM contrast in these samples). We attribute the observed ion conductivity improvement to those nanomorphological variation in PCBM-PEO-LiTFSi systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Climate warming causes photobiont degradation and carbon starvation in a boreal climate sentinel lichen

The long-term potential for acclimation by lichens to changing climates is poorly known, despite their prominent roles in forested ecosystems. Although often considered “extremophiles,” lichens may not readily acclimate to novel climates well beyond historical norms. In a previous study, Evernia mesomorpha transplants in a whole-ecosystem climate change experiment showed drastic mass loss after 1 yr of warming and drying; however, the causes of this mass loss were not addressed. We examined the causes of this warming-induced mass loss by measuring physiological, functional, and reproductive attributes of lichen transplants. Severe loss of mass and physiological function occurred above +2°C of experimental warming. Loss of algal symbionts (“bleaching”) and turnover in algal community compositions increased with temperature and were the clearest impacts of experimental warming. Enhanced CO 2 had no significant physiological or symbiont composition effects. The functional loss of algal photobionts led to significant loss of mass and specific thallus mass (STM), which in turn reduced water-holding capacity (WHC). Although algal genotypes remained detectable in thalli exposed to higher stress, within-thallus photobiont communities shifted in composition toward greater diversity. The strong negative impacts of warming and/or lower humidity on Evernia mesomorpha were driven by a loss of photobiont activity. Analogous to the effects of climate change on corals, the balance of symbiont carbon metabolism in lichens is central to their resilience to changing conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Rapid Solidification of Sn-Cu-Al Alloys for High-Reliability, Lead-Free Solder: Part I. Microstructural Characterization of Rapidly Solidified Solders

Particles of Cu x Al y in Sn-Cu-Al solders have previously been shown to nucleate the Cu 6 Sn 5 phase during solidification. In this study, the number and size of Cu 6 Sn 5 nucleation sites were controlled through the particle size refinement of Cu x Al y via rapid solidification processing and controlled cooling in a differential scanning calorimeter. Cooling rates spanning eight orders of magnitude were used to refine the average Cu x Al y and Cu 6 Sn 5 particle sizes down to submicron ranges. The average particle sizes, particle size distributions, and morphologies in the microstructures were analyzed as a function of alloy composition and cooling rate. Deep etching of the samples revealed the three-dimensional microstructures and illuminated the epitaxial and morphological relationships between the Cu x Al y and Cu 6 Sn 5 phases. Transitions in the Cu 6 Sn 5 particle morphologies from faceted rods to nonfaceted, equiaxed particles were observed as a function of both cooling rate and composition. Initial solidification cooling rates within the range of 10 3 to 10 4 °C/s were found to be optimal for realizing particle size refinement and maintaining the Cu x Al y /Cu 6 Sn 5 nucleant relationship. In addition, little evidence of the formation or decomposition of the ternary-β phase in the solidified alloys was noted. As a result, solidification pathways omitting the formation of the ternary-β phase agreed well with observed room temperature microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Segregation at the surfaces of CuxPd1-x alloys in the presence of adsorbed S

The influence of adsorbed S on surface segregation in Cu{sub x}Pd{sub 1 - x} alloys (S/Cu{sub x}Pd{sub 1 - x)} was characterized over a wide range of bulk alloy compositions (x = 0.05 to 0.95) using high-throughput Composition Spread Alloy Film (CSAF) sample libraries. Top-surface and near-surface compositions of the CSAFs were measured as functions of bulk Cu composition, x, and temperature using spatially resolved low energy ion scattering spectroscopy (LEISS) and X-ray photoemission spectroscopy (XPS). Preferential segregation of Cu to the top-surface of the S/Cu{sub x}Pd{sub 1 - x} CSAF was observed at all bulk compositions, x, but the extent of Cu segregation to the S/Cu{sub x}Pd{sub 1 - x} surface was lower than the Cu segregation to the surface of a clean Cu{sub x}Pd{sub 1 - x} CSAF, clear evidence of an S-induced “segregation reversal.” The Langmuir–McLean formulation of the Gibbs isotherm was used to estimate the enthalpy and entropy of Cu segregation to the top-surface, ΔH{sub seg}(x) and ΔS{sub seg}(x), at saturation sulfur coverages. While Cu segregation to the top-surface of the clean Cu{sub x}Pd{sub 1 - x} is exothermic (ΔH{sub seg} < 0) for all bulk Cu compositions, it is endothermic (ΔH{sub seg} > 0) for S/Cu{sub x}Pd{sub 1 - x}. Segregation to the S/Cu{sub x}Pd{sub 1 - x} surface is driven by entropy. Changes in segregation patterns that occur upon adsorption of S onto Cu{sub x}Pd{sub 1 - x} appear to be related to formation of energetically favored Pd{single bond}S bonds at the surface, which counterbalance the enthalpic driving forces for Cu segregation to the clean surface.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Preliminary design data package, appendices C1 and C2

The HYBRID2 program which computes the fuel and energy consumption of a hybrid vehicle with a bi-modal control strategy over specified component driving cycles is described. Fuel and energy consumption are computed separately for the two modes of operation. The program also computes yearly average fuel and energy consumption using a composite driving cycle which varies as a function of daily travel. The modelling techniques are described, and subroutines and their functions are given. The composition of modern automobiles is discussed along with the energy required to manufacture an American automobile. The energy required to scrap and recycle automobiles is also discussed.

Source record↗
DOE OSTI2022

Heuristic Computational Model for Predicting Lignin Solubility in Tailored Organic Solvents

Lignin is a random heteropolymer that has been extensively studied as a renewable source of aromatic precursors for high-value chemicals, biofuels, and bioplastics. A key challenge in lignin valorization is the structural and compositional heterogeneity of lignin feedstocks. Solvent-based approaches are commonly used to fractionate lignin to reduce this heterogeneity, but solvent selection can be challenging due to variability in lignin composition. In this work, we developed computational methods to predict good and poor organic solvents as a function of lignin composition. We analyzed 28 different linear pentamer structures, 18 from known libraries and 10 hypothetical polymers, and calculated their activity coefficients in 50 different organic solvents by using the conductor-like screening model for realistic solvents. We used these data to train a regression model that enabled the extensive investigation of the impact of solvent and monolignol compositions on predicted lignin solubility. The exhaustive exploration of solubility trends using model predictions revealed sets of solvents, identified using Kamlet–Taft parameters, that are predicted to promote lignin dissolution regardless of lignin composition. We further identified solvents expected to selectively isolate lignin fractions enriched in certain subunits. Furthermore, these results establish heuristic guidelines for solvent selection that can be used to tailor fractionation processes for lignin feedstocks of distinct composition or to design new processes that isolate fractions with higher proportions of selected subunits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Fatigue crack growth in a unidirectional SCS-6/Ti-15-3 composite

An investigation was conducted to characterize and model the fatigue crack growth (FCG) behavior of a SCS-6/Ti-15-3 metal matrix composite. Part of the study was conducted using a fatigue loading stage mounted inside a scanning electron microscope (SEM). This unique facility allowed high magnification viewing of the composite fatigue processes and measurement of the near crack tip displacements. The unidirectional composite was tested in the (0)8 (i.e., longitudinal) and (90)8 (i.e., transverse) orientations. For comparison purposes unreinforced matrix material produced by the identical process as the reinforced material was also tested. The results of the study reveal that the fatigue crack growth behavior of the composite is a function of specimen geometry, fiber orientation and the interaction of local stress fields with the highly anisotropic composite. In the case of (0)8 oriented single edge notch (SEN) specimens and (90)8 oriented compact tension (CT) specimens, the crack growth was normal to the loading direction. However, for the (0)8 CT specimens the crack grew mostly parallel to the loading and the fiber direction. The unusual fatigue behavior of the (0)8 CT specimens was attributed to the specimen geometry and the associated high tensile bending stresses perpendicular to the fiber direction. These stresses resulted in preferential cracking in the weak interface region perpendicular to the fiber direction. The interface region, and in particular the carbon coating surrounding the fiber proved to be the composites weakest link. In the (0)8 SEN the crack growth was confined to the matrix leaving behind unbroken fibers which bridged the cracked surfaces. As the crack grew longer, more fibers bridged the crack resulting in a progressive decrease in the crack growth rates and eventual crack arrest. The actual near crack tip displacement measurements were used in a proposed formulation for a bridging-corrected effective crack driving force, delta K(sub eff). This parameter was able to account for most of the experienced bridging and correlated the (0)8 SEN fatigue crack growth data reasonably well.

Kantzos, Peter↗
DOE OSTI2023

Monolithically Integrated $\varepsilon$-Ge/In x Ga 1-x As Quantum Well Laser Design: Experimental and Theoretical Investigation

Here, we have analyzed the electrical and optical phenomenon occurring in a $\varepsilon$-Ge/In x Ga 1-x -Ge/In x Ga 1-x As quantum well (QW) laser through self-consistent physical solvers calibrated using in-house experimental results. A separate confinement heterostructure QW design is proposed to enable lasing from tensile strained germanium ($\varepsilon$-Ge/In x Ga 1-x -Ge) in the range of 1.55 um to 4 um wavelengths as a function of QW thickness and indium (In) composition. Different recombination mechanisms were analyzed as a function of tensile strain in $\varepsilon$-Ge/In x Ga 1-x -Ge QW. Minority carrier lifetime and band alignment are key attributes of a QW laser, which were measured using microwave photoconductive decay and x-ray photoelectron spectroscopy (as a function of In composition), respectively. The transition point of Ge to a direct bandgap material is re-affirmed to be at $\varepsilon$-Ge/In x Ga 1-x = 1.6% (In ~24%) and the transition from type I to type II for $\varepsilon$-Ge/In x Ga 1-x -Ge/In x Ga 1-x As QW is found to be at In ~55%. Also, the transition to a TM mode dominant laser is identified at In ~15%. Using a tunable waveguide design to optimize confinement as a function of In composition, strain, wavelength, QW thickness, refractive index, and geometry, the $\varepsilon$-Ge/In x Ga 1-x -Ge QW laser design provided a net material gain of ~2000 cm -1 and a threshold current density of ~5 kA/cm 2 , which is an improvement over existing Ge based lasers. In conclusion, the impact of In composition and QW thickness on the band structure, polarized gain spectra, and various lasing metrics were analyzed to show $\varepsilon$-Ge/In x Ga 1-x -Ge/InGaAs QW lasers as promising for integrated photonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

X-ray diffraction and extended X-ray absorption fine structure study of epitaxial mixed ternary bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} (x = 0-2) films on Si (111)

Ternary single crystalline bixbyite Pr{sub x}Y{sub 2-x}O{sub 3} films over the full stoichiometry range (x = 0-2) have been epitaxially grown on Si (111) with tailored electronic and crystallographic structure. In this work, we present a detailed study of their local atomic environment by extended X-ray absorption fine structure at both Y K and Pr L{sub III} edges, in combination with complementary high resolution x-ray diffraction measurements. The local structure exhibits systematic variations as a function of the film composition. The cation coordination in the second and third coordination shells changes with composition and is equal to the average concentration, implying that the Pr{sub x}Y{sub 2-x}O{sub 3} films are indeed fully mixed and have a local bixbyite structure with random atomic-scale ordering. A clear deviation from the virtual crystal approximation for the cation-oxygen bond lengths is detected. This demonstrates that the observed Vegard's law for the lattice variation as a function of composition is based microscopically on a more complex scheme related to local structural distortions which accommodate the different cation-oxygen bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-G-206-06: Analytic Dose Function for CT Scans in Infinite Cylinders as a Function of Scan Length and Cylinder Radius

Purpose: The radiation dose absorbed at a particular radius ρ within the central plane of a long cylinder following a CT scan is a function of the length of the scan L and the cylinder radius R along with kVp and cylinder composition. An analytic function was created that that not only expresses these dependencies but is integrable in closed form over the area of the central plane. This feature facilitates explicit calculation of the planar average dose. The “approach to equilibrium” h(L) discussed in the TG111 report is seamlessly included in this function. Methods: For a cylindrically symmetric radiation field, Monte Carlo calculations were performed to compute the dose distribution to long polyethylene cylinders for scans of varying L for cylinders ranging in radius from 5 to 20 cm. The function was developed from the resultant Monte Carlo data. In addition, the function was successfully fit to data taken from measurements on the 30 cm diameter ICRU/TG200 phantom using a real-time dosimeter. Results: Symmetry and continuity dictate a local extremum at the center which is a minimum for the larger sizes. There are competing effects as the beam penetrates the cylinder from the outside: attenuation, resulting in a decrease; scatter, abruptly increasing at the circumference. This competition may result in an absolute maximum between the center and outer edge leading to a “gull wing” shape for the radial dependence. For the smallest cylinders, scatter may dominate to the extent that there is an absolute maximum at the center. Conclusion: An integrable, analytic function has been developed that provides the radial dependency of dose for the central plane of a scan of length L for cylinders of varying diameter. Equivalently, we have developed h(L,R,ρ).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Evaluation of Functional Marrow Irradiation Based on Skeletal Marrow Composition Obtained Using Dual-Energy Computed Tomography

Purpose: To develop an imaging method to characterize and map marrow composition in the entire skeletal system, and to simulate differential targeted marrow irradiation based on marrow composition. Methods and Materials: Whole-body dual energy computed tomography (DECT) images of cadavers and leukemia patients were acquired, segmented to separate bone marrow components, namely, bone, red marrow (RM), and yellow marrow (YM). DECT-derived marrow fat fraction was validated using histology of lumbar vertebrae obtained from cadavers. The fractions of RM (RMF = RM/total marrow) and YMF were calculated in each skeletal region to assess the correlation of marrow composition with sites and ages. Treatment planning was simulated to target irradiation differentially at a higher dose (18 Gy) to either RM or YM and a lower dose (12 Gy) to the rest of the skeleton. Results: A significant correlation between fat fractions obtained from DECT and cadaver histology samples was observed (r=0.861, P<.0001, Pearson). The RMF decreased in the head, neck, and chest was significantly inversely correlated with age but did not show any significant age-related changes in the abdomen and pelvis regions. Conformity of radiation to targets (RM, YM) was significantly dependent on skeletal sites. The radiation exposure was significantly reduced (P<.05, t test) to organs at risk (OARs) in RM and YM irradiation compared with standard total marrow irradiation (TMI). Conclusions: Whole-body DECT offers a new imaging technique to visualize and measure skeletal-wide marrow composition. The DECT-based treatment planning offers volumetric and site-specific precise radiation dosimetry of RM and YM, which varies with aging. Our proposed method could be used as a functional compartment of TMI for further targeted radiation to specific bone marrow environment, dose escalation, reduction of doses to OARs, or a combination of these factors.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2023

Functional group effect of chemically modified microcrystalline methyl cellulose on thermoplastic polyurethane composites

Microcrystalline cellulose (MCC) is a promising bio-based filler for lightweight yet mechanically high-performance eco-polymer composites because of its low density and high biocompatibility. However, intermolecular hydrogen bonding among MCC is stronger than the polymer–filler interactions, which deteriorate the mechanical properties of the composites. Herein, we investigated the effects of functional groups on the mechanical properties of composites by scrutinizing chemically modified microcrystalline methyl cellulose (m-MMC) with three different substitution levels of hydroxyl group to hydroxypropyl (HP) group: no-, low-, and high-level substitution (HP-0, HP-low, and HP-high). The degree of HP substitution of m-MMC was quantitatively measured by CP/MAS NMR analysis. The relatively bulky HP groups interrupted the filler–filler intermolecular interactions and reduced the crystallinity and density of m-MMC, as evident from X-ray diffractometer and pycnometer data, respectively. For scalable production of the composites, the m-MMC were compounded with thermoplastic polyurethane (TPU) by a twin-screw extruder at concentrations between 0.5 and 10 wt%. Despite its low filler concentration, the toughness of m-MMC/TPU composites was remarkably enhanced, up to 28% (229.2 to 294.4 MJ/m 3 ) at 0.5 wt% loading of HP-low, owing to the enhanced polymer–filler interactions. In conclusion, the fundamental understanding on structure–property relationships will provide insights for designing of mechanically robust yet eco-friendly polymer composites.

composites↗