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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Strength and deformation of shocked diamond single crystals: Orientation dependence

Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ~120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}<110> slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (~33 GPa) are 25-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (~23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response characteristic of shocked brittle solids. The present results show that the elastic limit (or material strength) of diamond single crystals cannot be described using traditional isotropic approaches, and typical plasticity models cannot be used to describe the inelastic deformation of diamond. Analysis of the measured wave profiles beyond the elastic limit, including characterization of the peak state, requires numerical simulations that incorporate a time-dependent, anisotropic, inelastic deformation response. Development of such a material description for diamond is an important need.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effects of HAT-CN Layer Thickness on Molecular Orientation and Energy-Level Alignment with ZnPc

Efficient energy-level alignment is crucial for achieving high performance in organic electronic devices. Because the electronic structure of an organic semiconductor is significantly influenced by its molecular orientation, comprehensively understanding the molecular orientation and electronic structure of the organic layer is essential. In this study, we investigated the interface between a 1,4,5,8,9,11-hexaazatriphenylene hexacarbonitrile (HAT-CN) hole injection layer and a zinc-phthalocyanine (ZnPc) p-type organic semiconductor. To determine the energy-level alignment and molecular orientation, we conducted in situ ultraviolet and X-ray photoelectron spectroscopies, as well as angle-resolved X-ray absorption spectroscopy. We found that the HAT-CN molecules were oriented relatively face-on (40°) in the thin (5 nm) layer, whereas they were oriented relatively edge-on (62°) in the thick (100 nm) layer. By contrast, ZnPc orientation was not significantly altered by the underlying HAT-CN orientation. The highest occupied molecular orbital (HOMO) level of ZnPc was closer to the Fermi level on the 100 nm thick HAT-CN layer than on the 5 nm thick HAT-CN layer because of the higher work function. Consequently, a considerably low energy gap between the lowest unoccupied molecular orbital level of HAT-CN and the HOMO level of ZnPc was formed in the 100 nm thick HAT-CN case. This may improve the hole injection ability of the anode system, which can be utilized in various electronic devices.

42 ENGINEERING↗
DOE OSTI2024

First experimental study of multiple orientation muon tomography, with image optimization in sparse data environments

Due to the high penetrating power of cosmic ray muons, they can be used to probe very thick and dense objects. As charged particles, they can be tracked by ionization detectors, determining the position and direction of the muons. With detectors on either side of an object, particle direction changes can be used to extract scattering information within an object. This can be used to produce a scattering intensity image within the object related to density and atomic number. Such imaging is typically performed with a single detector-object orientation, taking advantage of the more intense downward flux of muons, producing planar imaging with some depth-of-field information in the third dimension. Several simulation studies have been published with multi-orientation tomography, which can form a three-dimensional representation faster than a single orientation view. In this work we present the first experimental multiple orientation muon tomography study. Experimental muon-scatter based tomography was performed using a concrete filled steel drum with several different metal wedges inside, between detector planes. Data was collected from different detector-object orientations by rotating the steel drum. The data collected from each orientation were then combined using two different tomographic methods. Results showed that using a combination of multiple depth-of-field reconstructions, rather than a traditional inverse Radon transform approach used for CT, resulted in more useful images for sparser data. As cosmic ray muon flux imaging is rate limited, the imaging techniques were compared for sparse data. Using the combined depth-of-field reconstruction technique, fewer detector-object orientations were needed to reconstruct images that could be used to differentiate the metal wedge compositions.

Applied Physics (physics.app-ph)↗
NASA NTRS1980

Orientations of central peaks in lunar craters - Implications for regional structural trends

Impact craters are dominant features on the lunar surface and all fresh craters with diameters greater than 35 km possess central peaks. Approximately half of these central peaks (54%) have either linear or arcuate geometry and display some preferential orientation. These orientations were measured for 200 lunar craters of Pre-Nectarian to Copernican age. A pervasive regional north-south trend is identified for central peak orientation, with secondary trends at + or - 20-30 deg from this axis. No evidence for regional east-west trends is found. These orientations are shown to persist in craters formed through the last 4 billion years of lunar history. A lack of coincidence between impact direction, as determined from ejecta asymmetries and peak orientation, argues for structural control by the target as a source of the linear peak morphology. This is supported by the regional and temporal persistence of preferred peak orientations. It is proposed that linear central peak orientations in lunar craters reflect a pervasive regional structural system which developed early in lunar history and has persisted through geologic time.

Hale, W.↗
NASA NTRS1986

Orientation and temperature dependence of some mechanical properties of the single-crystal nickel-base superalloy Rene N4. II - Low cycle fatigue behavior

The low cycle fatigue (LCF) properties of a single-crystal nickel-base superalloy Rene N4, have been examined at 760 and 980 C in air. Specimens having crystallographic orientations near the 001, 011, -111, 023, -236, and -145 lines were tested in fully reversed, total-strain-controlled LCF tests at a frequency of 0.1 Hz. At 760 C, this alloy exhibited orientation dependent tension-compression anisotropies of yielding which continued to failure. Also at 760 C, orientations exhibiting predominately single slip exhibited serrated yielding for many cycles. At 980 C, orientation dependencies of yielding behavior were smaller. In spite of the tension-compression anisotropies, cyclic stress range-strain range behavior was not strongly orientation dependent for either test temperature. Fatigue life on a total strain range basis was highly orientation dependent at 760 and 980 C and was related chiefly to elastic modulus, low modulus orientations having longer lives. Stage I crack growth on 111 planes was dominant at 760 C, while Stage II crack growth occurred at 980 C. Crack initiation generally occurred at near-surface micropores, but occasionally at oxidation spikes in the 980 C tests.

Gabb, T. P.↗
NASA NTRS1990

Acoustic positioning and orientation prediction

A method is described for use with an acoustic positioner, which enables a determination of the equilibrium position and orientation which an object assumes in a zero gravity environment, as well as restoring forces and torques of an object in an acoustic standing wave field. An acoustic standing wave field is established in the chamber, and the object is held at several different positions near the expected equilibrium position. While the object is held at each position, the center resonant frequency of the chamber is determined, by noting which frequency results in the greatest pressure of the acoustic field. The object position which results in the lowest center resonant frequency is the equilibrium position. The orientation of a nonspherical object is similarly determined, by holding the object in a plurality of different orientations at its equilibrium position, and noting the center resonant frequency for each orientation. The orientation which results in the lowest center resonant frequency is the equilibrium orientation. Where the acoustic frequency is constant, but the chamber length is variable, the equilibrium position or orientation is that which results in the greatest chamber length at the center resonant frequency.

Barmatz, Martin B.↗
NASA NTRS1993

Orientation of Planar Deformation Features (PDFs) in quartz

Differently oriented single crystal quartz was shocked experimentally at pressures of 20 to 32 GPa and pre-shock temperatures up to 630 C. Based on this systematic investigation, we can demonstrate that the orientation of planar deformation features in quartz is not only dependent on shock pressure but also on pre-shock temperature and shock direction. Moreover, the orientation of Planar Deformation Features (PDF's) is strongly influenced by the set-up in recovery experiments. PDF's in quartz are defined as optically recognizable, planar microstructures diagnostically produced by shock compression. PDF's differ from all kinds of microstructures found in volcanic environment and therefore, their presence is a primary criterion for recognizing impact craters and ejecta layers such as the K/T boundary. Because experiments have shown a pressure dependence of the orientation of PDF's, this property is used extensively for shock wave barometry in natural impact sites. However, the unreflected application of experimental results neglects that parameters such as pre-shock temperature, shock direction, or the experimental arrangement may influence the spatial distribution of PDF's. In order to test this assumption, shock experiments on single crystal quartz at pre-shock temperatures of 20, 275, 540, and 630 C, and with shock directions (1010) and (0001) were performed. Most of the recovery experiments were carried out by using a reverberation technique, whereas in only one experiment a single shock was produced (impedance method). In the former case 0.5 mm thin discs of single crystal quartz were used, in the latter a 15 mm thick cylinder. The orientation of PDF's was measured by means of a conventional universal stage and the results are given. Effects of the experimentation technique can be derived showing the orientation of PDF's in quartz shocked at 27.5 GPa. In comparison to the well defined peaks at (1012) found in samples from reverberation experiments, the impedance matching technique causes PDF's with a broad distribution pattern and indistinct maxima. Our results have serious implications for shock-wave barometry in nature: the existing classification scheme which relates PDF orientation exclusively to shock pressure is no longer applicable. In consequence more experimental data is needed.

Langenhorst, F.↗
NASA NTRS1994

Orientation effects on the measurement and analysis of critical CTOA in an aluminum alloy sheet

Fracture tests were conducted on 76.2mm wide, 2.3mm thick middle crack tension (M(T)) specimens machined from 2024-T3 aluminum sheet. The specimens were tested on the T-L orientation and comparisons were made to similar tests conducted in the L-T orientation. Measurement of critical crack tip opening angle (CTOA), applied stress, and crack front shape were made as a function of crack extension. A two-dimensional, elastic-plastic finite element analysis was used to simulate the fracture behavior for both orientations. The results indicate that the T-L orientation had a 10 percent lower stress at fracture than similar tests conducted in the L-T orientation. Correspondingly, the critical CTOA in the T-L tests reached a constant value of 4.7 degrees after 2-3mm of crack extension and the L-T tests reached a value of 6 degrees. The fracture surfaces of the T-L specimens were observed to remain flat, while those of the L-T specimens transitioned to a 45 degree slant fracture after about 2-3mm of crack extension. The tunneling behavior of the two orientations also differed; the T-L specimens reached a deeply tunneled stabilized crack front shape while, the L-T specimens were observed to have only a small amount of tunneling once the crack began to grow on the 45 degree slant. The two-dimensional, elastic-plastic finite element analysis was able to simulate the fracture behavior for both the T-L and L-T orientations.

Sutton, M. A.↗
NASA NTRS1995

Sensitivity of planetary cruise navigation to earth orientation calibration errors

A detailed analysis was conducted to determine the sensitivity of spacecraft navigation errors to the accuracy and timeliness of Earth orientation calibrations. Analyses based on simulated X-band (8.4-GHz) Doppler and ranging measurements acquired during the interplanetary cruise segment of the Mars Pathfinder heliocentric trajectory were completed for the nominal trajectory design and for an alternative trajectory with a longer transit time. Several error models were developed to characterize the effect of Earth orientation on navigational accuracy based on current and anticipated Deep Space Network calibration strategies. The navigational sensitivity of Mars Pathfinder to calibration errors in Earth orientation was computed for each candidate calibration strategy with the Earth orientation parameters included as estimated parameters in the navigation solution. In these cases, the calibration errors contributed 23 to 58% of the total navigation error budget, depending on the calibration strategy being assessed. Navigation sensitivity calculations were also performed for cases in which Earth orientation calibration errors were not adjusted in the navigation solution. In these cases, Earth orientation calibration errors contributed from 26 to as much as 227% of the total navigation error budget. The final analysis suggests that, not only is the method used to calibrate Earth orientation vitally important for precision navigation of Mars Pathfinder, but perhaps equally important is the method for inclusion of the calibration errors in the navigation solutions.

Estefan, J. A.↗
NASA NTRS1999

Visual Orientation in Unfamiliar Gravito-Inertial Environments

The goal of this project is to better understand the process of spatial orientation and navigation in unfamiliar gravito-inertial environments, and ultimately to use this new information to develop effective countermeasures against the orientation and navigation problems experienced by astronauts. How do we know our location, orientation, and motion of our body with respect to the external environment ? On earth, gravity provides a convenient "down" cue. Large body rotations normally occur only in a horizontal plane. In space, the gravitational down cue is absent. When astronauts roll or pitch upside down, they must recognize where things are around them by a process of mental rotation which involves three dimensions, rather than just one. While working in unfamiliar situations they occasionally misinterpret visual cues and experience striking "visual reorientation illusions" (VRIs), in which the walls, ceiling, and floors of the spacecraft exchange subjective identities. VRIs cause disorientation, reaching errors, trigger attacks of space motion sickness, and potentially complicate emergency escape. MIR crewmembers report that 3D relationships between modules - particularly those with different visual verticals - are difficult to visualize, and so navigating through the node that connects them is not instinctive. Crew members learn routes, but their apparent lack of survey knowledge is a concern should fire, power loss, or depressurization limit visibility. Anecdotally, experience in mockups, parabolic flight, neutral buoyancy and virtual reality (VR) simulators helps. However, no techniques have been developed to quantify individual differences in orientation and navigation abilities, or the effectiveness of preflight visual. orientation training. Our understanding of the underlying physiology - for example how our sense of place and orientation is neurally coded in three dimensions in the limbic system of the brain - is incomplete. During the 16 months that this human and animal research project has been underway, we have obtained several results that are not only of basic research interest, but which have practical implications for the architecture and layout of spacecraft interiors and for the development of astronaut spatial orientation training countermeasures.

Oman, Charles M.↗
NASA NTRS1997

Effects of Orientation on Recognition of Facial Affect

The ability to discriminate facial features is often degraded when the orientation of the face and/or the observer is altered. Previous studies have shown that gross distortions of facial features can go unrecognized when the image of the face is inverted, as exemplified by the 'Margaret Thatcher' effect. This study examines how quickly erect and supine observers can distinguish between smiling and frowning faces that are presented at various orientations. The effects of orientation are of particular interest in space, where astronauts frequently view one another in orientations other than the upright. Sixteen observers viewed individual facial images of six people on a computer screen; on a given trial, the image was either smiling or frowning. Each image was viewed when it was erect and when it was rotated (rolled) by 45 degrees, 90 degrees, 135 degrees, 180 degrees, 225 degrees and 270 degrees about the line of sight. The observers were required to respond as rapidly and accurately as possible to identify if the face presented was smiling or frowning. Measures of reaction time were obtained when the observers were both upright and supine. Analyses of variance revealed that mean reaction time, which increased with stimulus rotation (F=18.54, df 7/15, p (is less than) 0.001), was 22% longer when the faces were inverted than when they were erect, but that the orientation of the observer had no significant effect on reaction time (F=1.07, df 1/15, p (is greater than) .30). These data strongly suggest that the orientation of the image of a face on the observer's retina, but not its orientation with respect to gravity, is important in identifying the expression on the face.

Cohen, M. M.↗
NASA NTRS2005

Spatial orientation of optokinetic nystagmus and ocular pursuit during orbital space flight

On Earth, eye velocity of horizontal optokinetic nystagmus (OKN) orients to gravito-inertial acceleration (GIA), the sum of linear accelerations acting on the head and body. We determined whether adaptation to micro-gravity altered this orientation and whether ocular pursuit exhibited similar properties. Eye movements of four astronauts were recorded with three-dimensional video-oculography. Optokinetic stimuli were stripes moving horizontally, vertically, and obliquely at 30 degrees/s. Ocular pursuit was produced by a spot moving horizontally or vertically at 20 degrees/s. Subjects were either stationary or were centrifuged during OKN with 1 or 0.5 g of interaural or dorsoventral centripetal linear acceleration. Average eye position during OKN (the beating field) moved into the quick-phase direction by 10 degrees during lateral and upward field movement in all conditions. The beating field did not shift up during downward OKN on Earth, but there was a strong upward movement of the beating field (9 degrees) during downward OKN in the absence of gravity; this likely represents an adaptation to the lack of a vertical 1-g bias in-flight. The horizontal OKN velocity axis tilted 9 degrees in the roll plane toward the GIA during interaural centrifugation, both on Earth and in space. During oblique OKN, the velocity vector tilted towards the GIA in the roll plane when there was a disparity between the direction of stripe motion and the GIA, but not when the two were aligned. In contrast, dorsoventral acceleration tilted the horizontal OKN velocity vector 6 degrees in pitch away from the GIA. Roll tilts of the horizontal OKN velocity vector toward the GIA during interaural centrifugation are consistent with the orientation properties of velocity storage, but pitch tilts away from the GIA when centrifuged while supine are not. We speculate that visual suppression during OKN may have caused the velocity vector to tilt away from the GIA during dorsoventral centrifugation. Vertical OKN and ocular pursuit did not exhibit orientation toward the GIA in any condition. Static full-body roll tilts and centrifugation generating an equivalent interaural acceleration produced the same tilts in the horizontal OKN velocity before and after flight. Thus, the magnitude of tilt in OKN velocity was dependent on the magnitude of interaural linear acceleration, rather than the tilt of the GIA with regard to the head. These results favor a 'filter' model of spatial orientation in which orienting eye movements are proportional to the magnitude of low frequency interaural linear acceleration, rather than models that postulate an internal representation of gravity as the basis for spatial orientation.

Flight Experiment↗
NASA NTRS2008

Inertial Orientation Trackers with Drift Compensation

A class of inertial-sensor systems with drift compensation has been invented for use in measuring the orientations of human heads (and perhaps other, similarly sized objects). These systems can be designed to overcome some of the limitations of prior orientation-measuring systems that are based, variously, on magnetic, optical, mechanical-linkage, and acoustical principles. The orientation signals generated by the systems of this invention could be used for diverse purposes, including controlling head-orientation-dependent virtual reality visual displays or enabling persons whose limbs are paralyzed to control machinery by means of head motions. The inventive concept admits to variations too numerous to describe here, making it necessary to limit this description to a typical system, the selected aspects of which are illustrated in the figure. A set of sensors is mounted on a bracket on a band or a cap that gently but firmly grips the wearer s head to be tracked. Among the sensors are three drift-sensitive rotationrate sensors (e.g., integrated-circuit angular- rate-measuring gyroscopes), which put out DC voltages nominally proportional to the rates of rotation about their sensory axes. These sensors are mounted in mutually orthogonal orientations for measuring rates of rotation about the roll, pitch, and yaw axes of the wearer s head. The outputs of these rate sensors are conditioned and digitized, and the resulting data are fed to an integrator module implemented in software in a digital computer. In the integrator module, the angular-rate signals are jointly integrated by any of several established methods to obtain a set of angles that represent approximately the orientation of the head in an external, inertial coordinate system. Because some drift is always present as a component of an angular position computed by integrating the outputs of angular-rate sensors, the orientation signal is processed further in a drift-compensator software module.

Foxlin, Eric M.↗
NASA NTRS2021

Evaluation of Higher-order Quadrature Schemes in Improving Computational Efficiency for Orientation-averaged Single-Scattering Properties of Nonspherical Ice Particles

We evaluate several high-order quadrature schemes for accuracy and efficacy in obtaining orientation-averaged single-scattering properties (SSPs). We use the highly efficient MIDAS to perform electromagnetic scattering calculations to evaluate the gain in efficiency from these schemes. MIDAS is shown to be superior to DDSCAT, a popular discrete dipole approximation (DDA) method. This study is motivated by the fact that quality physical precipitation retrievals rely on using accurate orientation-averaged SSPs derived from realistic hydrometeors as input to radiative transfer Models (RTMs). The DDA has been a popular choice for single-scattering calculations, due to its versatility with respect to target geometry. However, being iterative-solver-based (ISB), the most used DDA codes, e.g. DDSCAT and ADDA, must solve the scattering problem for each orientation of the target separately. As the size parameter and geometric anisotropy of the hydrometeor increase, the number of orientations needed to obtain accurate orientation-averages can increase drastically and so does the computation cost incurred by the ISB-DDA methods. MIDAS is a Direct-Solver-Based (DSB) code, its decomposition of the original large matrix with a high rank into multiple more manageable smaller matrices of lower ranks makes it much more computationally efficient while maintaining excellent accuracy. In addition, direct solvers consider all requested orientations at once, giving MIDAS further advantage over popular ISB-DDA methods. MIDAS, when combined with high-order quadrature for orientation averaging, can be greater than three orders of magnitude more efficient in obtaining RTM-ready SSPs of complex-shaped hydrometeors than existing ISB-DDA methods, with the native quadrature schemes they offer.

Ines Fenni↗
NASA NTRS2023

The Polarimetric Radar Scattering Properties of Oriented Aggregates

The scattering properties of aggregates are studied herein. Early aggregates (<7 monomers) of branched planar crystals and mature aggregates (up to 100 monomers) of columns are randomly generated with varying assumptions about the monomer attachment processes and the orientation behavior during collection. The resulting physical properties of the aggregates correspond well with prior in situ and retrieved sizes and shapes. Assumed azimuthally uniform orientations during collection and monomer pivoting upon attachment resulted in flatter and denser aggregates. The column aggregates had lower density and more spherical shapes than the branched planar crystal aggregates. The scattering properties were calculated using the discrete dipole approximation for a set of orientation angles and transformed to spectral coefficients representing modes of orientation angle variability. The zeroth- and second-order coefficients dominate this variability, with the zeroth-order coefficients representing the scattering properties for randomly oriented particles. The second-order coefficients for backscatter showed differences between horizontal and vertical polarization increasing with density, and these coefficients for specific differential phase increase with both mass and density. Similarly, coefficients for the copolar covariance decreased with density. Rapid changes in the contributions to the radar moments from the second-order coefficients from low to moderate density were observed, likely due to the increasing presence of horizontally aligned monomers in the aggregate structure. Differences in how differential reflectivity and correlation coefficient evolve with the orientation distribution parameters suggest that these measurements, along with specific differential phase and reflectivity, provide complementary information about aggregate sizes, shapes, and orientation distributions.

Cloud microphysics↗
DOE OSTI2021

Influence of Fiber Orientation on Deformation of Additive Manufactured Composites

Anisotropy caused by flow-induced fiber orientation of discontinuous fibers within the extrudate in the Extrusion Deposition Additive Manufacturing (EDAM) process gives rise to anisotropic shrinkage in printed parts and thereby, final part deformations. Three fiber orientation states, described by the second-order orientation tensor, were investigated to determine their influence upon final geometry. Two material systems were investigated including a short glass fiber-reinforced polyamide and a short carbon fiber-reinforced polyamide. A curvilinear geometry was modeled and printed virtually in the thermo-mechanical simulation, ADDITIVE3D©. The scale of the printed geometry was in the range of 300–400 mm and contained three semicircular geometry regions connected to linear regions, thereby inducing significant magnification of the spring-in deformation. The predicted deformation of the printed geometry for the three fiber orientation states and two material systems were compared. The deformation predicted for glass fiber-filled polyamide and carbon fiber-filled polyamide of the same fiber orientation states showed comparable deformations. In conclusion, the largest residual deformation was shown to correspond to the orientation tensor with the greatest degree of anisotropy.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Study on a novel orientation domain of Mg17Ce2 in aged Mg–Y–Ce alloy by HAADF–STEM

Highlights: • A novel 90 degree orientation domain is verified in Mg{sub 17}Ce{sub 2} granules. • Orientations of domain–Ι and Π are parallel and perpendicular to α-Mg matrix. • A 〈 1-bar 010〉 direction is unchanged among domain–Ι, domain–Π and α-Mg matrix. • Domain–Ι matches the α-Mg matrix better than the domain–Π. - Abstract: After solid solution and aging treatment, Mg–3.0 wt%Y–1.0 wt%Ce ternary alloys were characterized using high angle annular dark field scanning transmission electron microscopy. The main precipitates are dominated by β{sup ′} phase and Mg{sub 17}Ce{sub 2}, a Ni{sub 17}Th{sub 2}–type intermetallic compound. An orientation domain can be discerned generally in Mg{sub 17}Ce{sub 2} granules. This domain structure of Mg{sub 17}Ce{sub 2} always consists of two types of domains (defined as domain–Ι and domain–Π) with a 90 degree orientation difference. In terms of crystallographic orientation relationships among α-Mg matrix and both domains, the domain–Ι is parallel to α-Mg matrix, whereas, the domain–Π is perpendicular to α-Mg matrix. It can be certain that a 〈 1-bar 010〉 direction is an unchanged orientation. Due to nearly equal values of lattice parameters (a and c) of Mg{sub 17}Ce{sub 2}, both domain–Ι and domain–Π can matches well with α-Mg matrix. Comparatively, the interfacial matching between domain–Ι and α-Mg matrix is better, suggesting that the domain–Ι is dominant.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fully implicit crystal plasticity models representing orientations with modified Rodrigues parameters

Here, this work describes a crystal plasticity formulation combining several mathematical, numerical, and implementation choices to produce a highly efficient model. Specifically, the key choices in the implementation are (1) representing orientations with modified Rodrigues parameters, (2) implementing a fully coupled implicit time integration for the elastic stretch, the crystal orientations, and the model internal variables, (3) implementing the model in the NEML2 constitutive modeling framework, based on PyTorch, to vectorize the calculations and port the computation to GPUs and other hardware accelerators, and (4) an exact implementation of the consistent tangent matrix, even for arbitrary coupling to other field variables beyond the displacements, like temperature, neutron fluence, etc. The first two features of the model are, to our knowledge, novel. The paper considers each of these choices individually as well as the final model as a whole. This includes a full description of modified Rodrigues parameters, their advantages over other representations of orientations, the mathematical formulae and tools required to implement a model with modified Rodrigues parameters, and a detailed description of the geometry of the space of modified Rodrigues parameters (in an appendix). It also includes a description of a fully implicit time integration scheme for the orientations and the advantages in representing orientations with modified Rodrigues parameters in implementing such a model. The work then assess, via numerical examples, the advantages of fully coupled implicit time integration versus more common decoupled and explicit time integration schemes. These studies demonstrate the computational advantages of fully coupled integration versus other time integration algorithms, though the performance of the competing models depends on the complexity of the underlying single crystal model. The study concludes by demonstrating that the choice of time integration method affects the sharpness of the predicted texture, with explicit methods for integrating the orientations overestimating texture sharpness and implicit methods underestimating texture sharpness.

Crystal plasticity↗