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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spectroscopic evaluation of tribologically-induced changes in surface chemistry of Zr-based bulk metallic glass

Bulk metallic glasses (BMGs) are promising structural materials owing to their high elastic limit and yield strength-to-weight ratio. While BMGs also exhibit attractive tribological properties (e.g., high wear resistance), the scientific basis for this behavior is not yet established. In particular, tribologically-induced changes in surface chemistry upon sliding are still an open topic of research. Here, we evaluated by X-ray photoelectron spectroscopy (XPS) the evolution of the surface chemistry of Vitreloy 105 (a Zr-rich BMG) upon sliding under different contact conditions against a tungsten carbide countersurface. The spectroscopic results indicate that the relative fraction of the metallic elements in the near-surface region is not affected by the sliding speed when the applied contact pressure is lower than 1.37 GPa, while a decrease in metallic zirconium was observed at lower sliding speeds and higher applied contact pressure (i.e., 1.71 GPa). Based on the spectroscopic results, a model is proposed for the effect of mechanical stress on the extent of oxidation of the near-surface region of Zr-based BMGs. In conclusion, the results of this work provide novel insights into the surface phenomena occurring on BMGs upon sliding and add significantly to our understanding of the tribological response of this class of promising structural materials.

Bulk metallic glasses↗
DOE OSTI2022

Elasticity of two-dimensional ferroelectrics across their paraelectric phase transformation

The mechanical behavior of two-dimensional (2D) materials across 2D phase changes is unknown, and the finite temperature (T) elasticity of paradigmatic SnSe monolayers—ferroelectric 2D materials turning paraelectric as their unit cell turns from a rectangle into a square—is described here in a progressive manner. To begin with, their zero–T total energy landscape gives way to (Boltzmann-like) averages from which the elastic behavior is determined. Furthermore, these estimates are complemented with results from the strain-fluctuation method, which employs the energy landscape or ab initio molecular dynamics data. All approaches capture the coalescence of elastic moduli < C 11 (T) > = < C 22 (T) > due to the structural transformation. The broad evolution and sudden changes of elastic parameters < C 11 (T) >, < C 22 (T) >, and < C 12 (T) > of these atomically thin phase-change membranes establishes a heretofore overlooked connection among 2D materials and soft matter.

2-dimensional systems↗
DOE OSTI2020

Coupling CTH to Linear Acoustic Propagation across an Air-Earth Interface

The interface between the Earth and the atmosphere forms a strong contrast in material properties. As such, numerical issues can arise when simulating an elastic wavefield across such a boundary when using a numerical simulation scheme. This is exacerbated when two different simulation codes are coupled straddling that interface. In this report we document how we implement the coupling of CTH, a nonlinear shock physics code, to a linearized elastic/acoustic wave propagation algorithm, axiElasti, across the air-earth interface. We first qualitatively verify that this stable coupling between the two algorithms produces expected results with no visible effects of the coupling interface. We then verify the coupling interface quantitatively by checking consistency with results from previous work and with coupled acoustic-elastic seismo-acoustic source inversions in three earth materials.

58 GEOSCIENCES↗
NASA NTRS2005

Prediction of Mechanical Properties of Polymers With Various Force Fields

The effect of force field type on the predicted elastic properties of a polyimide is examined using a multiscale modeling technique. Molecular Dynamics simulations are used to predict the atomic structure and elastic properties of the polymer by subjecting a representative volume element of the material to bulk and shear finite deformations. The elastic properties of the polyimide are determined using three force fields: AMBER, OPLS-AA, and MM3. The predicted values of Young s modulus and shear modulus of the polyimide are compared with experimental values. The results indicate that the mechanical properties of the polyimide predicted with the OPLS-AA force field most closely matched those from experiment. The results also indicate that while the complexity of the force field does not have a significant effect on the accuracy of predicted properties, small differences in the force constants and the functional form of individual terms in the force fields determine the accuracy of the force field in predicting the elastic properties of the polyimide.

Odegard, Gregory M.↗
DOE OSTI2022

Defect-induced electronic smectic state at the surface of nematic materials

Due to the intertwining between electronic nematic and elastic degrees of freedom, lattice defects and structural inhomogeneities commonly found in crystals can have a significant impact on the electronic properties of nematic materials. Here, we show that defects commonly present at the surface of crystals generally shift the wave-vector of the nematic instability to a non-zero value, resulting in an incommensurate electronic smectic phase. Such a smectic state onsets above the bulk nematic transition temperature and is localized near the surface of the sample. We argue that this effect may explain not only recent observations of a modulated nematic phase in iron-based superconductors, but also several previous puzzling experiments that reported signatures consistent with nematic order before the onset of a bulk structural distortion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

How to determine limiting velocities of dislocations in anisotropic crystals

In the continuum limit, the theory of dislocations in crystals predicts a divergence in the elastic energy of the host material at a crystal geometry dependent limiting (or critical) velocity vc. Explicit expressions for vc are scattered throughout the literature and are available in analytic form only for special cases with a high degree of symmetry. The fact that in some cases (like pure edge dislocations in fcc) v c happens to coincide with the lowest shear wave speed of a sound wave traveling parallel to the dislocation's gliding direction has led to further confusion in the more recent literature. The aim of this short review therefore is to provide a concise overview of the limiting velocities for dislocations of arbitrary character in general anisotropic crystals, and how to efficiently compute them, either analytically or numerically.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Fracture Failure Analysis for MQXFA Magnet Aluminum Shells

The High-Luminosity LHC Accelerator Upgrade Project (HL-LHC AUP) is approaching the production phase of the US-contributed Q1 and Q3 Interaction Region Quadrupoles (MQXFA). The structures for the MQXFA prototypes were design and inspected by the US-LARP (LHC Accelerator Research Program), AUP developed criteria, which will be used for the pre-series structures. As the first two full-length prototypes with 4.2 m magnetic length, MQXFAP1 and MQXFAP2, were designed and assembled at Lawrence Berkeley National Laboratory (LBNL), and tested at Brookhaven National Laboratory (BNL). The end aluminum short shell of MQXFAP2 was fractured along the shell length during the test, and tests were stopped. Analytical and Finite Element analysis were performed in light of the graded procedure defined in the Structure Design Criteria to investigate the fracture failure for MQXFAP2. In this paper, we report the fracture analysis of the current shell design, including the elasto-plastic simulations with submodel technique, and calculations with Linear Elastic Fracture Mechanics (LEFM). Test material properties are also presented. The results of this analysis explain why the end shell of MQXFAP2 failed, and suggest fillets on the end shell notches to meet the margin specified in the Structural Design Criteria.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Crack nucleation at forging flaws studied by non-local peridynamics simulations

We present a computational study and framework that allows us to study and understand the crack nucleation process from forging flaws. Forging flaws may be present in large steel rotor components commonly used for rotating power generation equipment including gas turbines, electrical generators, and steam turbines. The service life of these components is often limited by crack nucleation and subsequent growth from such forging flaws, which frequently exhibit themselves as non-metallic oxide inclusions. The fatigue crack growth process can be described by established engineering fracture mechanics methods. However, the initial crack nucleation process from a forging flaw is challenging for traditional engineering methods to quantify as it depends on the details of the flaw, including flaw morphology. We adopt the peridynamics method to describe and study this crack nucleation process. For a specific industrial gas turbine rotor steel, we present how we integrate and fit commonly known base material property data such as elastic properties, yield strength, and S-N curves, as well as fatigue crack growth data into a peridynamic model. The obtained model is then utilized in a series of high-performance two-dimensional peridynamic simulations to study the crack nucleation process from forging flaws for ambient and elevated temperatures in a rectangular simulation cell specimen. The simulations reveal an initial local nucleation at multiple small oxide inclusions followed by micro-crack propagation, arrest, coalescence, and eventual emergence of a dominant micro-crack that governs the crack nucleation process. The dependence on temperature and density of oxide inclusions of both the details of the microscopic processes and cycles to crack nucleation is also observed. The results are compared with fatigue experiments performed with specimens containing forging flaws of the same rotor steel.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

A study of the effects of aeroelastic divergence on the wing structure of an oblique-wing supersonic transport configuration

The aerodynamic characteristics of transport aircraft with oblique wing flying at supersonic speeds are discussed. Aeroelastic divergence of the forward swept portion of the wing is analyzed. The effect of aspect ratio as a method for avoiding aeroelastic divergence is examined. A relatively low aspect ratio appears necessary for an oblique wing when constructed of conventional aluminum alloy materials. The aspect ratio may be increased by increasing the wing thickness ratio and by utilizing materials with higher moduli of elasticity and rigidity.

Source record↗
NASA NTRS1972

Crack shapes and stress intensity factors for edge-cracked specimens.

A simple stress intensity factor expression is given for a deep edge crack in a plate in tension. The shapes of cracks opened by tension or bending are approximated by conic sections, and the conic section coefficients are related to plate geometry by very simple empirical equations. The magnitude of the crack displacement is a function of applied load, plate geometry, and the elastic constants of the plate material. The shape of a loaded crack in a semiinfinite plate is, approximately, a portion of an ellipse whose semimajor axis is about three times the crack length. As the crack length (relative to the plate width) increases, the crack shape becomes parabolic, then hyperbolic, the acuity of the hyperbola increasing with the relative crack length.

Orange, T. W.↗
NASA NTRS1975

Fracture mechanics correlation of boron/aluminum coupons containing stress risers

The mechanical behavior of boron/aluminum near stress risers has been studied and reported. This effort was directed toward defining the tensile behavior of both unidirectional and (0/ plus or minus 45) boron/aluminum using linear elastic fracture mechanics (LEFM). The material used was 5.6-mil boron in 6061 aluminum, consolidated using conventional diffusion bonding techniques. Mechanical properties are reported for both unidirectional and (0/ plus or minus 45) boron/aluminum, which serve as control data for the fracture mechanics predictions. Three different flawed specimen types were studied. In each case the series of specimens remained geometrically similar to eliminate variations in finite size correction factors. The fracture data from these tests were reduced using two techniques. They both used conventional LEFM methods, but the existence of a characteristic flaw was assumed in one case and not the other. Both the data and the physical behavior of the specimens support the characteristic flaw hypothesis. Cracks were observed growing slowly in the (0/ plus or minus 45) laminates, until a critical crack length was reached at which time catastrophic failure occurred.

Adsit, N. R.↗
NASA NTRS1980

Composite wall concept for high temperature turbine shrouds: Survey of low modulus strain isolator materials

Plasma sprayed yttria stabilized zirconium oxide turbine seal specimens, incorporating various low modulus porous metal strain isolator pads between the zirconium oxide and a dense metal substrate, were subjected to cyclic thermal shock testing. Specimens that had a low modulus pad composed of sintered FeNiCrAlY fibermetal survived 1000 thermal shock cycles without spalling of the ceramic. A figure of merit for the low modulus pad materials taking into consideration the elastic modulus, thermal conductivity, strength, and oxidation resistance of the pad was proposed, and showed reasonable agreement with the thermal shock results. A potential surface distress problem on the zirconium oxide, associated with nonuniform temperature distribution and rapid stress relaxation was identified. One approach to solving the surface distress problem through application of laser surface fusion of the zirconium oxide layer showed some promise, but improvements in the laser surface fusion process are necessary to prevent process associated damage to the ceramic.

Bill, R. C.↗
NASA NTRS1976

Integration of a code for aeroelastic design of conventional and composite wings into ACSYNT, an aircraft synthesis program

A comparison of program estimates of wing weight, material distribution. structural loads and elastic deformations with actual Northrop F-5A/B data is presented. Correlation coefficients obtained using data from a number of existing aircraft were computed for use in vehicle synthesis to estimate wing weights. The modifications necessary to adapt the WADES code for use in the ACSYNT program are described. Basic program flow and overlay structure is outlined. An example of the convergence of the procedure in estimating wing weights during the synthesis of a vehicle to satisfy F-5 mission requirements is given. A description of inputs required for use of the WADES program is included.

Mullen, J., Jr.↗
NASA NTRS1983

Edge effects in composites by moire interferometry

The very high sensitivity of moire interferometry has permitted the present edge effect experiments to be conducted at a low average stress and strain level, assuring linear and elastic behavior in the composite material samples tested. Sensitivity corresponding to 2450 line/mm moire was achieved with a 0.408 micron/fringe. Simultaneous observations of the specimen face and edge displacement fields showed good fringe definition despite the 1-mm thickness of the specimens and the high gradients, and it is noted that the use of a carrier pattern and optical filtering was effective in even these conditions. Edge effects and dramatic displacement gradients were confirmed in angle-ply composite laminates.

Czarnek, R.↗
NASA NTRS1983

Temperature-time distribution and thermal stresses on the RTG fins and shell during water cooling

Radioisotope thermoelectric generator (RTG) packages designed for space missions generally do not require active cooling. However, the heat they generate cannot remain inside of the launch vehicle bay and requires active removal. Therefore, before the Shuttle bay door is closed, the RTG coolant tubes attached to the heat rejection fins must be filled with water, which will circulate and remove most of the heat from the cargo bay. There is concern that charging a system at initial temperature around 200 C with water at 24 C can cause unacceptable thermal stresses in the RTG shell and fins. A computer model is developed to estimate the transient temperature distribution resulting from such charging. The thermal stresses resulting from the temperature gradients do not exceed the elastic deformation limit for the material. Since the simplified mathematical model for thermal stresses tends to overestimate stresses, it is concluded that the RTG can be cooled by introducing water at 24 C to the initially hot fin coolant tubes while the RTG is in the Shuttle cargo bay.

Turner, R. H.↗