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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation

This paper presents a multi-level crystal plasticity-based simulation framework for modeling mechanical response and microstructure evolution of Ti-6Al-4V with α-lath/lamellar microstructures. Here, the model is a correlated structure visco-plastic self-consistent (CS-VPSC) formulation linking three scales: a single crystals micro-scale, a lath/lamellar colony meso-scale, and a lath/lamellar aggregate macro-scale. A selected hardening law for the evolution of critical resolved shear stress per slip system used in CS-VPSC is phenomenological. However, it adjusts the resistances of basal and prismatic slip systems based on the geometry of slip transfer between adjacent lamellae. Consistent with experimental evidences, the resolved shear stress on the pyramidal slip planes is dependent not only on the stress in the direction of slip but also on the two orthogonal shear stress components and the three normal stress components (non-Schmid effects). Electron backscatter diffraction (EBSD) data in conjunction with a procedure relying on α→β phase transformation is used to construct paired variants of α-laths/lamellae satisfying their local crystallographic correlations. The procedure fits volume fractions of individual laths/lamellae with the experimental EBSD data and selects a distribution of habit planes between adjacent variants with respect to the loading direction. The simulation framework is applied to interpret the deformation behavior in tension and compression along two sample directions of Ti-6Al-4V fabricated via laser powder bed fusion. Moreover, the model is used to simulate texture evolution during rolling of the material to large strains. It is demonstrated that the model is capable of predicting plastic anisotropy/asymmetry and the concomitant texture evolution. While the model reveals a significant effect of habit plane inclination with respect to the loading direction on yield stress, the comparison of the data and model predictions shows that a random distribution of habit planes fits the flow response. It is further inferred that the tension-compression asymmetry arises from the non-Schmid effects.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Determination of α lamellae orientation in a β-Ti alloy using electron backscatter diffraction

The spatial orientation of α lamellae in a metastable β-Ti matrix of Timetal LCB (Ti–6.8 Mo–4.5 Fe–1.5 Al in wt%) was examined and the orientation of the hexagonal close-packed α lattice in the α lamella was determined. For this purpose, a combination of methods of small-angle X-ray scattering, scanning electron microscopy and electron backscatter diffraction was used. The habit planes of α laths are close to {111} β , which corresponds to (1$\bar3$20) α in the hexagonal coordinate system of the α phase. The longest α lamella direction lies approximately along one of the $\langle$110$\rangle$ β directions which are parallel to the specific habit plane. Taking into account the average lattice parameters of the β and α phases in aged conditions in Timetal LCB, it was possible to index all main axes and faces of an α lath not only in the cubic coordinate system of the parent β phase but also in the hexagonal system of the α phase.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Minimization of Atomic Displacements as a Guiding Principle of the Martensitic Phase Transformation

I this article, we present a unifying description for the martensitic transformation of steel that accounts for important experimentally observable features of the transformation, namely, the Neumann bands, the interfacial (habit) plane between the transformed and untransformed phases and their orientation relationship. It is obtained through a simple geometric minimization of the total distance traveled by all the atoms from the austenite (fcc or γ) phase to the martensite (bcc or α) phase, without the need for any explicit energy minimization. Our description unites previously proposed mechanisms but it does not rely on assumptions and experimental knowledge regarding the shear planes and directions, or external adjustable parameters. We show how the Kurdjumov-Sach orientation relationship between the two phases and the {225}$_γ$ habit plane, which have both been extensively reported in experiments, naturally emerge from the distance minimization. We also propose an explanation for the occurrence of a different orientation relationship (Pitsch) in thin films.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2019

Neutron irradiation-induced microstructure damage in ultra-high temperature ceramic TiC

Titanium carbide (TiC) is an ultra-high temperature ceramic with potential as a structural material candidate for advanced reactor concepts. However, the irradiation tolerance of TiC is not well understood. Here, we reveal the key irradiation damage microstructure degradation processes in TiC using mixed spectrum neutron irradiations at dose of ~2 displacements per atom (dpa) at temperatures of ~220, 620, and 1115 °C, combined with state-of-art microstructure characterization using transmission electron microscopy (TEM) and high-resolution TEM (HRTEM). The helium injection (~65 atomic parts per million) produced by neutron transmutation also occurred in the sample. TiC was observed to form irradiation-induced interstitial-type dislocation loops and He-stabilized cavities. At 220 and 620 °C, the analysis of the electron diffraction patterns, rel-rod imaging and HRTEM revealed that the dislocation loops were faulted Frank loops with Burgers vector b Frank = 1/3<111> lying on {111} planes. A detailed Burgers vector identification performed by the g.b technique revealed that the dislocation loops forming at 1115 °C were unfaulted, edge-type, with Burgers vectors b = a<100> and a/2<110> with corresponding {100} and {110} habit planes. Using continuum mechanics, we estimated the critical radius at which a faulted dislocation loop transitions to a perfect loop to be 9 nm. Further, no amorphization occurred in TiC under-investigated irradiation conditions while macroscopic swelling under point defect swelling regime was observed. He-stabilized cavities were detected at 1115 °C, but not at lower temperature irradiation. These observations indicate the onset of long-range vacancy migration in TiC occurs between 620 and 1115 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Plastic homogeneity in nanoscale heterostructured binary and multicomponent metallic eutectics: An overview

Heterostructured materials comprised of relatively soft/hard disparate phases typically exhibit composite strengthening but lack plastic deformability at ambient temperatures. However, heterostructured systems comprised of nanoscale phases can simultaneously enhance yield strength and strain hardening, thereby promoting uniform distribution of plastic flow. In this review, the atomic-scale deformation mechanisms in model systems of eutectic alloys, Al-Al 2 Cu and Al-Si, refined to nanoscales via laser rapid solidification are discussed, and compared with literature on multi-component (high entropy) eutectics such as Ni-Al-Fe-based with Cr and/or Co additions. The nano-lamellar Al-Al 2 Cu structures exhibit unit defect mechanisms not reported in monolithic Al 2 Cu intermetallic: localized shear on {0 1 1} and shear-induced faults on {1 2 1} planes, constrained by closely-spaced dislocation arrays in Al confined by Al/Al 2 Cu interfaces. The unexpected plasticity mechanisms are enabled by slip continuity in nanoscale Al-Al 2 Cu eutectics associated with the orientation relationship and interface habit planes. In nano-fibrous Al-Si eutectic, tensile ductility at strength approaching 600 MPa is observed resulting from dislocation plasticity in the nano-Al channels and cracking in Si nanofibers. Molecular dynamics simulations show that Al dislocations easily cross-slip (screw) or climb (edge) along Al-Si interfaces, making slip transmission difficult. The propagation of nano-cracks is suppressed by surrounding strain hardening Al, retaining good ductility of the sample, in spite of lack of direct slip transmission. Finally, the critical unit mechanisms of slip transmission and interface-enabled plasticity observed in nanoscale eutectic binary systems can also explain the strength-ductility relationship in multi-component eutectics and homogeneously distributed plastic flow with increasing microstructural heterogeneity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Self-consistent solution of the Frank–Bilby equation for interfaces containing disconnections

The quantized Frank–Bilby equation can be used to identify interfacial line defect array configurations which relax the misorientation and/or misfit of a coherent crystalline interface. These line defect arrays may be comprised of dislocations and/or disconnections, which are interfacial steps with dislocation character. When an interface contains disconnections, solution of the quantized Frank–Bilby equation is complicated by the fact that the habit plane orientation is not known in advance because it depends on the unknown spacing of the disconnection array. We present a root-finding-based method for addressing this issue, enabling a self-consistent solution for arbitrary defect content. Our method has been implemented in an open-source code which enumerates all possible solutions given a list of candidate line defects. Two cases are presented employing the code: a misoriented FCC twin boundary and an FCC/BCC phase boundary with the Nishiyama-Wasserman orientation relationship. Both cases exhibit more than 10,000 solutions to the Frank–Bilby equation, with several hundred solutions categorized as ‘‘low energy’’ and thus plausible configurations for the actual interface. The resulting set of solutions can be utilized to predict and understand the properties of a given interface.

42 ENGINEERING↗
DOE OSTI2023

Dislocation loop bias and void swelling in irradiated α-iron from mesoscale and atomistic simulations

Abstract Dislocation loops are ubiquitous in irradiated materials, and dislocation loop bias plays a critical role in void swelling. However, due to complicated interactions between dislocation loops and point defects, it is challenging to evaluate the bias factors of dislocation loops. Here, we determine the bias of sessile < 100 > loops in α-iron using a recently developed atomistic approach based on the lifetime of point defects. We establish a mechanistic understanding of the loop interaction based on the diffusion tendency of point defects near the loop core region. Mobile self-interstitial atoms tend to be absorbed from the edge of the loop, and a trapping region perpendicular to the habit plane of the loop exists. The dislocation loop bias is found to be substantially lower than those of straight dislocations in α-iron and should be included in swelling rate estimates. With the obtained sink strength and bias values, agreement is achieved with experimental results for both absolute values and temperature dependence.

Yu, Ziang↗
NASA NTRS1981

Microstructure and mechanical properties of bulk yttria-partially-stabilized zirconia

A commercially available bulk 4.5 mole percent yttria-(Y2O3) partially stabilized zirconia (PSZ) was studied by light microscopy, X-ray analysis, microhardness measurement, and fracture toughness testing. The growth of the precipitates and the phase transformations were studied as a function of aging in air at 1500 C. Aging curves were constructed for both the as received and the solution annealed and quenched materials; the curves showed hardness peaks at 1397 and 1517 Kg/sq mm respectively. The rectangular plate shaped tetragonal precipitates were found to have a 110 habit plane. A total of twelve different types of tetragonal precipitates were found. Grinding of the Y2O3 PSZ into powder did not cause a significant amount of metastable tetragonal precipitates to transform into the monoclinc phase, thus indicating that transformation toughening is not a significant mechanism for the material.

Valentine, P. G.↗
NASA NTRS1981

Microstructure and mechanical properties of bulk yttria-partially-stabilized zirconia

A commercially available bulk 4.5 mole percent yttria-Y2O3)-partially-stabilized zirconia (PSZ) was studied by light microscopy, X-ray analysis, microhardness measurement, and fracture toughness testing. The growth of the precipitates and the phase transformations were studied as a function of aging in air at 1500 C. Aging cuves were constructed for both the as-received and the solution-annealed-and-quenched materials; the curves showed hardness peaks at 1397 and 1517 kg/sq mm, respectively. A total of twelve different types of tetragonal precipitates were found. The rectangular plate-shaped tetragonal precipitates were found to have a (110) habit plane. Grinding of the Y2O3 PSZ into powder did not cause a significant amount of metastable tetragonal precipitates to transform into the monoclinic phase, thus indicating that transformation toughening is not a significant mechanism for the material. The fracture toughness of the aged and of the unaged solution-annealed-and-quenched PSZ was found to be between 2 and 3 MN/cu m/2.

Valentine, P. G.↗
NASA NTRS1987

Analysis of NiAlTa precipitates in beta-NiAl + 2 at. pct Ta alloy

Results are reported from experiments performed to identify the precipitates, and their orientation in the matrix, in a beta-NiAl alloy containing 2 at. pct. Ta after undergoing creep test at 1300 K. Test specimens formed by extruding hot powders were compressed at 1300 K for about 50 hr at a strain rate averaging 6/1 million per sec. The specimens were then thinned and examined under an electron microscope and by X-ray diffractometry. An intermetallic NiAlTa compound with a hexagonal Cl4 structure appeared as second phase precipitates in the samples, exhibiting plate-like shapes and a habit plane close to (012). The prism planes of the hexagonal NiAlTa precipitates paralleled the closest packed planes in the cubic beta-NiAl matrix.

Pathare, V.↗
NASA NTRS1989

Identification of strengthening phases in Al-Cu-Li alloy Weldalite 049

The tensile properties in the peak-strength T8 temper for Weldalite 049, a family of ultrahigh-strength weldable Al-Cu-Li-based alloys with a Li content ranging from 0 to 1.9 wt percent, are investigated, and strengthening precipitates at selected Li levels are identified. Relatively small amounts of Ag and Mg were found to be extremely effective in stimulating precipitation in Weldalite 049, resulting in a homogeneous distribution of fine, platelike precipitates with a 111-type habit plane in the peak-aged, T8 temper. The yield and tensile strengths are strongly dependent on Li content, with a peak in the range of 1.1 to 1.4 wt percent Li. At above 1.4 wt percent Li, strength decreases rapidly, which is associated with delta-prime precipitation. For high-resolution TEM, the structure of T(1)-type precipitates in Weldalite 049 is similar to that of T(1) platelets in 2090.

Langan, T. J.↗
NASA NTRS1992

Structural relationships between the T and O phases in Ti-24Al-11Nb

TEM and electron diffraction are presently used to characterize the structural relationships between the ordered tetragonal (T) and ordered orthorhombic (O) phases of a rapidly solidified Ti-24Al-11Nb alloy. It is established that the transition from the T to the O phase is explainable in terms of a shape-deformation mechanism, and that the T/O interface (habit) plane approximates -2 2 3 sub T. Attention is given to the orientation relationships between the two phases.

Hsiung, L. M.↗
NASA NTRS1989

Interfacial analysis of tribological systems containing molybdenum disulfide and iron using XPS and CEMS

In the present evaluation of results from studies of the interfacial chemistry and morphology of a buried lubricant-substrate interface, specimens of increasing complexity that culminated with the effects of excess sulfur and defects were characterized by XPS and SEM, as well as conversion-electron Moessbauer spectroscopy (CEMS). In order to simulate sputtered systems, single crystals of MoS2 were damaged with Ar(+) bombardment and coated with Fe. Fe is found to react differently with MoS2 depending on surface treatments, surface defects, annealing treatments, and the presence of excess sulfur. The annealing temperature determines which compounds are formed, as well as the crystal habit and plane at the Fe-MoS2 interface.

Zabinski, J. S.↗
NASA NTRS2013

Evaluation of Model Microphysics Within Precipitation Bands of Extratropical Cyclones

Recent studies evaluating the bulk microphysical schemes (BMPs) within cloud resolving models (CRMs) have indicated large uncertainties and errors in the amount and size distributions of snow and cloud ice aloft. The snow prediction is sensitive to the snow densities, habits, and degree of riming within the BMPs. Improving these BMPs is a crucial step toward improving both weather forecasting and climate predictions. Several microphysical schemes in the Weather Research and Forecasting (WRF) model down to 1.33‐km grid spacing are evaluated using aircraft, radar, and ground in situ data from the Global Precipitation Mission Coldseason Precipitation Experiment (GCPEx) experiment, as well as a few years (15 winter storms) of surface measurements of riming, crystal habit, snow density, and radar measurements at Stony Brook, NY (SBNY on north shore of Long Island) during the 2009-2012 winter seasons. Surface microphysical measurements at SBNY were taken every 15 to 30 minutes using a stereo microscope and camera, and snow depth and snow density were also recorded. During these storms, a vertically-pointing Ku-band radar was used to observe the vertical evolution of reflectivity and Doppler vertical velocities. A Particle Size and Velocity (PARSIVEL) disdrometer was also used to measure the surface size distribution and fall speeds of snow at SBNY. For the 15 cases at SBNY, the WSM6, Morrison (MORR), Thompson (THOM2), and Stony Brook (SBU-YLIN) BMPs were validated. A non-spherical snow assumption (THOM2 and SBU-YLIN) simulated a more realistic distribution of reflectivity than spherical snow assumptions in the WSM6 and MORR schemes. The MORR, WSM6, and SBU-YLIN schemes are comparable to the observed velocity distribution in light and moderate riming periods. The THOM2 is ~0.25 meters per second too slow with its velocity distribution in these periods. In heavier riming, the vertical Doppler velocities in the WSM6, THOM2, and MORR schemes were ~0.25 meters per second too slow, while the SBU-YLIN was 0.25 to 0.5 meters per second too fast. Overall, the BMPs simulate a size distribution close to the observed for D < 4 mm in the dendritic, plates, and mixed habit periods. The model BMPs underestimate the size distribution when large aggregates were observed. For D > 6 mm in the dendrites, side planes, and mixed habit periods, the BMPs are likely not simulating enough aggregation to create a larger size distribution, although the MORR (double moment) scheme seemed to perform best. These SBNY results will be compared with some results from GCPEx for a warm frontal snow band observed at 18 February 2012.

Colle, Brian A.↗
NASA NTRS2013

Evaluation of Model Microphysics within Precipitation Bands of Extratropical Cyclones

Recent studies evaluating the bulk microphysical schemes (BMPs) within cloud resolving models (CRMs) have indicated large uncertainties and errors in the amount and size distributions of snow and cloud ice aloft. The snow prediction is sensitive to the snow densities, habits, and degree of riming within the BMPs. Improving these BMPs is a crucial step toward improving both weather forecasting and climate predictions. Several microphysical schemes in the Weather Research and Forecasting (WRF) model down to 1.33‐km grid spacing are evaluated using aircraft, radar, and ground in situ data from the Global Precipitation Mission Coldseason Precipitation Experiment (GCPEx) experiment, as well as a few years (15 winter storms) of surface measurements of riming, crystal habit, snow density, and radar measurements at Stony Brook, NY (SBNY on north shore of Long Island) during the 2009-2012 winter seasons. Surface microphysical measurements at SBNY were taken every 15 to 30 minutes using a stereo microscope and camera, and snow depth and snow density were also recorded. During these storms, a vertically-pointing Ku-band radar was used to observe the vertical evolution of reflectivity and Doppler vertical velocities. A Particle Size and Velocity (PARSIVEL) disdrometer was also used to measure the surface size distribution and fall speeds of snow at SBNY. For the 15 cases at SBNY, the WSM6, Morrison (MORR), Thompson (THOM2), and Stony Brook (SBU-YLIN) BMPs were validated. A non-spherical snow assumption (THOM2 and SBU-YLIN) simulated a more realistic distribution of reflectivity than spherical snow assumptions in the WSM6 and MORR schemes. The MORR, WSM6, and SBU-YLIN schemes are comparable to the observed velocity distribution in light and moderate riming periods. The THOM2 is approx 0.25 m/s too slow with its velocity distribution in these periods. In heavier riming, the vertical Doppler velocities in the WSM6, THOM2, and MORR schemes were approx 0.25 m/s too slow, while the SBU-YLIN was 0.25 to 0.5 m/s too fast. Overall, the BMPs simulate a size distribution close to the observed for D < 4 mm in the dendritic, plates, and mixed habit periods. The model BMPs underestimate the size distribution when large aggregates were observed. For D > 6 mm in the dendrites, side planes, and mixed habit periods, the BMPs are likely not simulating enough aggregation to create a larger size distribution, although the MORR (double moment) scheme seemed to perform best. These SBNY results will be compared with some results from GCPEx for a warm frontal snow band observed at 18 February 2012.

Colle, Brian A.↗
NASA NTRS2017

Saffire: A Novel Approach to Study of Spacecraft Fire Safety Using Un-Manned Spacecraft

The Saffire Experiment represents the first test of spacecraft fires at a scale relevant to real spacecraft. Although large-scale fire tests on Earth are conducted for every type of habitable structure (buildings, planes, trains, automobiles, ships and mines) they had never been attempted in a space experiment for obvious reasons of practicality and safety. This is despite the fact that fire is a catastrophic hazard for spaceflight where the crew has very limited or no escape options. The spread and growth of a fire, combined with its interactions with the vehicle cannot be expected to scale linearly from small-scale test data, and so there is a substantial gap in our ability to predict the behavior of spacecraft fire and also its impact on the spacecraft habitability and operability. The experiments were performed aboard the Cygnus vehicle, a large unmanned resupply spacecraft to the International Space Station (ISS). The experiment was installed in the Cygnus vehicle, and remained dormant during docked operations. Once the vehicle was reloaded with ISS trash, it unberthed and moved to a separate orbit. The Saffire experiment was initiated by ground command and downlinked the data before the vehicle re-entered into the earth's atmosphere. The downloaded test data show resolved the question of whether flame growth will achieve a steady size and demonstrated that the size of the enclosure surrounding the sample has more impact on the flame spread than anticipated.

microgravity↗
NASA NTRS2015

Long-Term Stability of Planets in the Alpha Centauri System

The alpha Centauri system is billions of years old, so planets are only expected to be found in regions where their orbits are long-lived. We evaluate the extent of the regions within the alpha Centauri AB star system where small planets are able to orbit for billion-year timescales, and we map the positions in the sky plane where planets on stable orbits about either stellar component may appear. We confirm the qualitative results of Wiegert & Holman (Astron. J. 113, 1445, 1997) regarding the approximate size of the regions of stable orbits of a single planet, which are larger for retrograde orbits relative to the binary than for pro-grade orbits. Additionally, we find that mean motion resonances with the binary orbit leave an imprint on the limits of orbital stability, and the effects of the Lidov-Kozai mechanism are also readily apparent. Overall, orbits of a single planet in the habitable zones near the plane of the binary are stable, whereas high-inclination orbits are short-lived. However, even well within regions where single planets are stable, multiple planet systems must be significantly more widely-spaced than they need to be around an isolated star in order to be long-lived.

stable orbits↗
DOE OSTI2021

The Impact of Classical and General Relativistic Obliquity Precessions on the Habitability of Circumstellar Neutron Stars’ Planets

Recently, it has been shown that rocky planets orbiting neutron stars can be habitable under plausible circumstances. If a distant, point-like source of visible light, such as a Sun-like main-sequence star or the gravitationally-lensed accretion disk of a supermassive black hole is present, possible temporal variations Δε{sub p}(t) of the planet’s axial tilt ε {sub p} to the ecliptic plane should be included in the overall habitability budget since the obliquity determines the insolation at a given latitude on a body’ s surface. I point out that, for rather generic initial spin–orbit initial configurations, general relativistic and classical spin variations induced by the post-Newtonian de Sitter and Lense–Thirring components of the field of the host neutron star and by its pull to the planetary oblateness J{sub 2}{sup p} may induce huge and very fast variations of ε {sub p} that would likely have an impact on the habitability of such worlds. In particular, for a planet’s distance of, say, 0.005 au from a 1.4 M {sub ⊙} neutron star corresponding to an orbital period P {sub b} = 0.109 day, obliquity shifts Δε {sub p} as large as ε{sub p}{sup max}−ε{sub p}{sup min}≃50{sup ∘}--100{sup ∘} over characteristic timescales as short as 10 days (J{sub 2}{sup p}) to 3 Myr (Lense–Thirring) may occur for arbitrary orientations of the orbital and spin angular momenta L, S {sub ns}, S {sub p} of the planet-neutron star system. In view of this feature of their spins, I dub such hypothetical planets as “nethotrons.”.

79 ASTRONOMY AND ASTROPHYSICS↗