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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

The Structural Properties of Vapor Deposited Water Ice and Astrophysical Implications

Films of vapor deposited water ice at low temperature (T<30 K) show a number of interesting structural changes during a gradual warmup. We would like to talk about the structure of the low temperature high density amorphous form of water ice, the process of crystallization, and some recent work on the morphological changes of water ice films at high temperature. The studies of the high density amorphous form are from in-situ electron microscopy as well as numerical simulations of molecular dynamics and have lead to new insights into the physical distinction between this high density amorphous form and the low density amorphous form. For the process of crystallization, we propose a model that describes the crystallization of water ice from the amorphous phase to cubic ice in terms of the nucleation of small domains in the ice. This model agrees well with the behavior of water ice in our electron microscopy studies and finds that pure water above the glass transition is a strong liquid. In more recent work, we have concentrated on temperatures above the crystallization temperature and we find interesting morphological changes related to the decrease in viscosity of the amorphous component in the cubic crystalline regime. Given enough time, we would like to put these results in an astrophysical context and discuss some observed features of the frost on interstellar grains and the bulk ice in comets.

Jenniskens, P.↗
NASA NTRS2003

Investigation of Structural Properties of Carbon-Epoxy Composites Using Embedded Fiber-Optic Bragg Gratings

Real time monitoring of the mechanical integrity and stresses on key aerospace composite structures like aircraft wings, walls of pressure vessels and fuel tanks or any other structurally extended components and panels as in space telescopes is very important to NASA. Future military and commercial aircraft as well as NASA space systems such as Space Based Radar and International Space Station will incorporate a monitoring system to sense any degradation to the structure. In the extreme flight conditions of an aerospace vehicle it might be desirable to measure the strain every ten centimeters and thus fully map out the strain field of a composite component. A series of missions and vehicle health management requirements call for these measurements. At the moment thousands of people support a few vehicle launches per year. This number can be significantly reduced by implementing intelligent vehicles with integral nervous systems (smart structures). This would require maintenance to be performed only as needed. Military and commercial aircrafts have an equally compelling case. Annual maintenance costs are currently reaching astronomical heights. Monitoring techniques are therefore required that allow for maintenance to be performed only when needed. This would allow improved safety by insuring that necessary tasks are performed while reducing costs by eliminating procedures that are costly and not needed. The advantages fiber optical sensors have over conventional electro-mechanical systems like strain gauges have been widely extolled in the research literature. These advantages include their small size, low weight, immunity to electrical resistance, corrosion resistance, compatibility with composite materials and process conditions, and multiplexing capabilities. One fiber optic device which is suitable for distributed sensing is the fiber Bragg grating (FBG). This is a periodic perturbation in the refractive index of the fiber core. When a broadband light is coupled into the optical fiber sensor, a reflection peak will be obtained centered around a wavelength called Bragg-wavelength. The Bragg-wavelength depends on the refractive index and the period of the grating, which both change due to mechanical and thermal strain applied to the sensor. The shift in the Bragg-wavelength is directly proportional to the strain. Researchers at NASA MSFC are currently developing techniques for using FBGs for monitoring the integrity of advanced structural materials expected to become the mainstay of the current and future generation space structures. Since carbon-epoxy composites are the materials of choice for the current space structures, the initial study is concentrated on this type of composite. The goals of this activity are to use embedded FBG sensors for measuring strain and temperature of composite structures, and to investigate the effects of various parameters such as composite fiber orientation with respect to the optical sensor, unidirectional fiber composite, fabrication process etc., on the optical performance of the sensor. This paper describes an experiment to demonstrate the use of an embedded FBG for measuring strain in a composite material. The performance of the fiber optic sensor is determined by direct comparison with results from more conventional instrumentation.

Osei, Albert J.↗
DOE OSTI2026

Performance of Heterostructural TaC/AlGaN Schottky Diodes Based on First Principles Electronic Structure Properties

Advances in ultra-wide bandgap materials, such as high Al-content AlxGa1-xN (AlGaN), are essential for next generation power electronics, but the requirement for lattice matched substrates is currently a significant obstacle. Recently, conductive TaC has emerged as a promising virtual substrate for AlGaN heteroepitaxy, with wurtzite (0001) AlxGa1-xN lattice-matched to rocksalt (111) TaC at x ~ 0.5. Thus, understanding and controlling the electronic properties of the TaC/AlGaN interface is key for developing technological applications based on TaC/AlGaN devices. Using density functional theory and electronic structure calculations, we here investigate TaC/Al0.5Ga0.5N interfaces, where we include explicit alloy models in the slab calculations. We predict the Schottky barrier height and the electric field discontinuity resulting from interface charges. Considering all possible combinations of (Ta, C) substrate termination, (Al/Ga, N) nucleation, and (Al/Ga, N) polarity, we construct a chemical potential phase diagram to identify the stable interfaces that can be accessed through variation of the synthesis conditions. The predicted interface electronic properties are implemented in device performance simulations to demonstrate a practical design for a strain-free, high-efficiency TaC/AlGaN Schottky diode with a low barrier height and without interface charges, underscoring the potential of TaC as a substrate for ultra-wide bandgap devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2002

Acousto-ultrasonics to Assess Material and Structural Properties

This report was created to serve as a manual for applying the Acousto-Ultrasonic NDE method, as practiced at NASA Glenn, to the study of materials and structures for a wide range of applications. Three state of the art acousto-ultrasonic (A-U) analysis parameters, ultrasonic decay (UD) rate, mean time (or skewing factor, "s"), and the centroid of the power spectrum, "f(sub c)," have been studied and applied at GRC for NDE interrogation of various materials and structures of aerospace interest. In addition to this, a unique application of Lamb wave analysis is shown. An appendix gives a brief overview of Lamb Wave analysis. This paper presents the analysis employed to calculate these parameters and the development and reasoning behind their use. It also discusses the planning of A-U measurements for materials and structures to be studied. Types of transducer coupling are discussed including contact and non-contact via laser and air. Experimental planning includes matching transducer frequency range to material and geometry of the specimen to be studied. The effect on results of initially zeroing the DC component of the ultrasonic waveform is compared with not doing so. A wide range of interrogation problems are addressed via the application of these analysis parameters to real specimens is shown for five cases: Case 1: Differences in density in [0] SiC/RBSN ceramic matrix composite. Case 2: Effect of tensile fatigue cycling in [+/-45] SiC/SiC ceramic matrix composite. Case 3: Detecting creep life, and failure, in Udimet 520 Nickel-Based Super Alloy. Case 4: Detecting Surface Layer Formation in T-650-35/PMR-15 Polymer Matrix Composites Panels due to Thermal Aging. Case 5: Detecting Spin Test Degradation in PMC Flywheels. Among these cases a wide range of materials and geometries are studied.

Kautz, Harold E.↗
NASA NTRS2007

Structure-Property Relationships in Porous 3-D Nanostructures as a Function of Preparation Conditions: Isocyanate Cross-Linked Silica Aerogels

Sol-gel derived silica aerogels are attractive candidates for many unique thermal, optical, catalytic, and chemical applications because of their low density and high mesoporosity. However, their inherent fragility has restricted use of aerogel monoliths to applications where they are not subject to any load. We have previously reported cross-linking the mesoporous silica structure of aerogels with di-isocyanates, styrenes or epoxies reacting with amine decorated silica surfaces. These approaches have been shown to significantly increase the strength of aerogels with only a small effect on density or porosity. Though density is a prime predictor of properties such as strength and thermal conductivity for aerogels, it is becoming clear from previous studies that varying the silica backbone and size of the polymer cross-link independently can give rise to combinations of properties which cannot be predicted from density alone. Herein, we examine the effects of four processing parameters for producing this type of polymer cross-linked aerogel on properties of the resulting monoliths. We focus on the results of 13C CP-MAS NMR which gives insight to the size and structure of polymer cross-link present in the monoliths, and relates the size of the cross-links to microstructure, mechanical properties and other characteristics of the materials obtained.

Meador, Mary Ann B.↗
NASA NTRS2007

Structure-Property Relationships in Porous 3-D Nanostructures as a Function of Preparation Conditions: Isocyanate Cross-Linked Silica Aerogels

Sol-gel derived silica aerogels are attractive candidates for many unique thermal, optical, catalytic, and chemical applications because of their low density and high mesoporosity. However, their inherent fragility has restricted use of aerogel monoliths to applications where they are not subject to any load. We have previously reported cross-linking the mesoporous silica structure of aerogels with di-isocyanates, styrenes or epoxies reacting with amine decorated silica surfaces. These approaches have been shown to significantly increase the strength of aerogels with only a small effect on density or porosity. Though density is a prime predictor of properties such as strength and thermal conductivity for aerogels, it is becoming clear from previous studies that varying the silica backbone and size of the polymer cross-link independently can give rise to combinations of properties which cannot be predicted from density alone. Herein, we examine the effects of four processing parameters for producing this type of polymer cross-linked aerogel on properties of the resulting monoliths. We focus on the results of C-13 CP-MAS NMR which gives insight to the size and structure of polymer cross-link present in the monoliths, and relates the size of the cross-links to microstructure, mechanical properties and other characteristics of the materials obtained.

Meador, Mary Ann B.↗
DOE OSTI2025

How do substituted phenyl-based cations affect the structure-property-stability relationship of low-dimensional perovskites?

Incorporating organic bulky cations in the precursor or post-treatment to achieve two-dimensional/three-dimensional (2D/3D) heterojunction is an effective strategy for enhancing the stability of perovskite materials. However, the issue of insufficient charge transport in 2D perovskites limits their development, and the fundamental mechanism of out-of-plane carrier transport remains unclear. This study designed and synthesized seven organic phenyl-core cations, differentiated at the 1- and 1,4-positions, and identified the impacts on the corresponding properties of the 2D crystalline perovskite. Shorter cations facilitated a more compact arrangement of adjacent inorganic layers, aligning to favor charge transport along the vertical direction. In addition, introducing high electronegativity led to increased intermolecular interactions, resulting in enhanced structural stability and improved phenyl ring π-orbital overlap and interlayer electron coupling, yielding efficient charge transport. Resilience to thermal stressing of the perovskite was strongly correlated with the carbon chain length of the spacer cations. Here, the increase in cation length and the reduction in the rigidity of the amino-terminal both aided in the dispersion of thermal stress in the inorganic framework. Additional hydrogen bonding also contributed to mitigating structural disorder.

14 SOLAR ENERGY↗
DOE OSTI2024

Structural Properties of [N1888][TFSI] Ionic Liquid: A Small Angle Neutron Scattering and Polarizable Molecular Dynamics Study

In this study, we investigate the quaternary ammonium-based ionic liquid (QAIL), methyltrioctylammonium bis(trifluoromethylsulfonyl)imide, [N 1888 ][TFSI], utilizing small angle neutron scattering (SANS) measurements and polarizable molecular dynamics (MD) simulations to characterize the shortand long-range liquid structure. Scattering structure factors show signatures of three length scales in reciprocal space indicative of alternating polarity (k ~ 0.44 Å –1 ), charge (k ~ 0.75 Å –1 ), and neighboring or adjacent (k ~ 1.46 Å –1 ) domains. Excellent agreement between simulation and experimental scattering structure factors validates various simulation analyses that provide detailed atomistic characterization of the different length scale correlations. The first solvation shell structure is illustrated by obtaining radial, angular, dihedral, and combined distribution functions, where two dominant spatial motifs, N + ···N – and N + ···O – , compete for optimal packing around the polar head of the [N 1888 ] + cation. Intermediate and long-range structures are governed by the balance between local electroneutrality and octyl chain networking, respectively. By computing the charge-correlation structure factor, S ZZ , and the spatial extent of the octyl chain network using graph theory, the bulk-phase structure of [N 1888 ][TFSI] is characterized in terms of electrostatic screening and apolar domain formation length scales.

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

Geometrical and structural properties of an Aeroelastic Research Wing (ARW-2)

Transonic steady and unsteady pressure tests were conducted on a large elastic wing known as the DAST ARW-2 wing. The wing has a supercritical airfoil, an aspect ratio of 10.3, a leading edge sweepback angle of 28.8 deg and is equipped with two inboard and one outboard trailing edge control surfaces. The geometrical and structural characteristics are presented of this elastic wing, using a combination of measured and calculated data, to permit future analyst to compare the experimental surface pressure data with theoretical predictions.

Sandford, Maynard C.↗
DOE OSTI2025

Structure–property relations of binary ferrite melts

Molten ferrite systems are used in the smelting and refining processes in steelmaking, to reduce the loss of metals in slags and to accelerate reaction rates. Here, high-energy x-ray diffraction experiments have been performed on aerodynamically levitated molten spheres of 43BaO–57FeO X and 43SrO–57FeO X at 1873 K using laser beam heating. The composition was varied within the range of x = 1–1.5 by changing the oxygen partial pressure of the levitation gas. The corresponding x-ray pair distribution functions have been interpreted using empirical potential structure refinement (EPSR) modeling. In oxygen-rich melts (x = 1.5), our EPSR models indicate very similar structures for the different alkaline-earth liquids, with both the Ba–O and Sr–O coordination numbers to be ∼8.4 and the total Fe–O coordination numbers ∼5.7. However, our models show that in reducing environments, the Fe 3+ and Fe 2+ ions exhibit very different behaviors in the Ba- and Sr-ferrite liquids. In the Ba-ferrite melt, the Fe 3+ –O coordination number decreases from 5.7 (at x = 1.5) to 5.2 (at x = 1.07), whereas Fe 2+ –O remains constant at ∼5.0 across the same compositional range. In the Sr melts, both the Fe 2+ –O and Fe 3+ –O coordination numbers rise from ∼5.7 (at x = 1.5) to 6.3 (at x = 1.07). All models show the structures to be heterogeneous with intertwined nanometer sized clusters or channels of Ba/Sr–O and Fe–O polyhedra that grow as oxygen content is reduced. Changes in the viscosity and electrical properties are interpreted in terms of the number of bridging and non-bridging oxygens associated with FeO 4 tetrahedra and concentration of charge carriers, respectively.

Benmore, Chris J. [Argonne National Laboratory (AN↗
NASA NTRS1977

Structure-property relationships in oxide-dispersed iron-beryllia alloys

Two BeO dispersed iron alloys containing about 2.5 and 5.5 v/o dispersoid were produced by attritting, internally oxidizing, and extruding dilute, prealloyed Fe-Be powders. As-extruded alloys were given various thermomechanical treatments involving room temperature swaging and annealing above and below the allotropic transformation temperature. The elevated temperature rupture strengths were measured and correlated with changes in structure; strengthening trends were examined in the light of proposed models for such strengthening. The results obtained showed that the elevated temperature strength was determined by the oxide interparticle spacing (IPS) in recrystallized material and IPS as well as prior deformation in swaged specimens. In fact, a parametric correlation was found between rupture strength values in the longitudinal direction with prestrain during swaging. The overall pattern in strength and microstructural observations were more consistent with a strength-stored energy (substructure) dependence than a strength-grain shape (grain aspect ratio) relation.

Wolf, S.↗
NASA NTRS1985

Structure-property relations in lanthanide borate glasses

Glass formation in the system Ln2O3-B2O3 (Ln = Nd, Sm) was studied. Glasses could be formed in the range from 0 to 28 mol pct rare-earth oxide (Ln2O3), but liquid immiscibility in these systems limits the range of homogeneous glasses to 0 to 1.5 and 25 to 28 mol pct Ln2O3. The infrared spectra indicate that the rare-earth-rich glasses are structurally similar to rare-earth metaborates (LnB3O6) which contain (B3O6)-infinity chains. The variation in density, transformation temperature, thermal expansion coefficient, and transformation-range viscosity of these glasses with the size of the rare-earth ion is discussed. Glasses near the metaborate composition have a transformation temperature of about 700 C, which is high for binary borate glasses. Glasses could not be formed in the systems Eu2O3-, Gd2O3-, Ho2O3-, and Er2O3-B2O3, even by quenching at 1300 C/s. The sudden lack of glass formation in the system Ln2O3-B2O3 with Ln(3+) ions smaller than Sm(3+) is explained on the basis of the size effect of the Ln(3+) ion on the stability of (B3O6)-infinity chains in these metaborates.

Chakraborty, I. N.↗
NASA NTRS2001

Structure-Property Correlations in Al-Li Alloy Integrally Stiffened Extrusions

The objective of this investigation was to establish the relationship between mechanical property anisotropy, microstructure and crystallographic texture in integrally 'T'-stiffened extruded panels fabricated from the Al-Li alloys 2195, 2098 and 2096. In-plane properties were measured as a function of orientation at two locations in the panels, namely mid-way between (Skin), and directly beneath (Base), the integral 'T' stiffeners. The 2195 extrusion exhibited the best combination of strength and toughness, but was the most anisotropic. The 2098 extrusion exhibited lower strength and comparable toughness, but was more isotropic than 2195. The 2096 extrusion exhibited the lowest strength and poor toughness, but was the most isotropic. All three alloys exhibited highly elongated grain structures and similar location-dependent variations in grain morphology. The textural characteristics comprised a beta + <100> fiber texture, similar to rolled product, in the Skin regions and alpha <111> + <100> fiber texture, comparable to axisymmetric extruded product, in the Base regions. In an attempt to quantitatively correlate texture with yield strength anisotropy, the original 'full constraint' Taylor model and a variant of the 'relaxed constraint' model, explored by Wert et al., were applied to the data. A comparison of the results revealed that the Wert model was consistently more accurate than the Taylor model.

Hales, Stephen J.↗
NASA NTRS1985

Structure-property characterization of rheocast and VADER processed IN-100 superalloy

Two recent solidification processes have been applied in the production of IN-100 nickel-base superalloy: rheocasting and vacuum arc double electrode remelting (VADER). A detailed microstructural examination has been made of the products of these two processes; associated tensile strength and fatigue crack propagation (FCP) rate at an elevated temperature were evaluated. In rheocasting, processing variables that have been evaluated include stirring speed, isothermal stirring time and volume fraction solid during isothermal stirring. VADER processed IN-100 was purchased from Special Metals Corp., New Hartford, NY. As-cast ingots were subjected to hot isostatic pressing (HIP) and heat treatment. Both rheocasting and VADER processed materials yield fine and equiaxed spherical structures, with reduced macrosegregation in comparison to ingot materials. The rheocast structures are discussed on the basis of the Vogel-Doherty-Cantor model of dendrite arm fragmentation. The rheocast ingots evaluated were superior in yield strength to both VADER and commercially cast IN-100 alloy. Rheocast and VADER ingots may have higher crack propagation resistance than P/M processed material.

Cheng, J. J. A.↗
DOE OSTI2024

Co-orchestration of multiple instruments to uncover structure–property relationships in combinatorial libraries

The rapid growth of automated and autonomous instrumentation brings forth opportunities for the co-orchestration of multimodal tools that are equipped with multiple sequential detection methods or several characterization techniques to explore identical samples. This is exemplified by combinatorial libraries that can be explored in multiple locations via multiple tools simultaneously or downstream characterization in automated synthesis systems. In co-orchestration approaches, information gained in one modality should accelerate the discovery of other modalities. Correspondingly, an orchestrating agent should select the measurement modality based on the anticipated knowledge gain and measurement cost. Herein, we propose and implement a co-orchestration approach for conducting measurements with complex observables, such as spectra or images. The method relies on combining dimensionality reduction by variational autoencoders with representation learning for control over the latent space structure and integration into an iterative workflow via multi-task Gaussian Processes (GPs). This approach further allows for the native incorporation of the system's physics via a probabilistic model as a mean function of the GPs. We illustrate this method for different modes of piezoresponse force microscopy and micro-Raman spectroscopy on a combinatorial Sm-BiFeO3 library. However, the proposed framework is general and can be extended to multiple measurement modalities and arbitrary dimensionality of the measured signals.

47 OTHER INSTRUMENTATION↗
NASA NTRS1994

Structural properties of compact groups

We report the results of a systematic study of galaxies in the regions of Hickson compact groups. Our sample is composed of the 22 Hickson groups which are located in the southern hemisphere and have cz less than 9000 km/s. Making use of digitized images of IIIa-J plates that cover an area of 0.5 x 0.5 deg around each group, we were able to detect and classify images down to a magnitude limit of 19.5 in the B band. This limit is typically three magnitudes fainter than previous studies. Most groups show a statistically significant excess of fainter galaxies compared to the background. These fainter galaxies typically have a somewhat more extended spatial distribution than the brighter galaxies originally classified by Hickson. Our data suggest that Hickson groups have a wide range in density and radius, ranging from very compact structures with overdensities of the order of 10(exp 2) and crossing times of roughly 0.01 H(sub 0 sup -1), to much more diffuse structures, similar to loose groups, with overdensities of about 3 and crossing times of roughly 0.5 H(sub 0 sup -1).

De Carvalho, R. R.↗