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At least 217 records · Page 12

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DOE OSTI2021

Ordering effects on deformation substructures and strain hardening behavior of a CrCoNi based medium entropy alloy

Here, a CrCoNi based medium entropy alloy with small additions of Ti, Al and Nb (denoted as (CrCoNi) 93 Al 4 Ti 2 Nb) in the as-quenched condition, exhibits tensile properties comparable to those of the equiatomic CrCoNi alloy at room temperature. Dark field transmission electron microscopy (TEM), atomic resolution high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) together with atom probe tomography (APT) show that spatially-localized long range ordering (LRO) L1 2 domains exist in this alloy. The evolution of deformation substructure with plastic deformation in this alloy was characterized using electron backscatter diffraction (EBSD), electron channeling contrast imaging (ECCI) and STEM based techniques including the recently developed weak beam dark field STEM imaging. Plastic deformation occurs by the slip of a/2<110>dislocations, which are narrowly dissociated into Shockley partial dislocations on {111} slip planes. Their dissociation distances in the (CrCoNi) 93 Al 4 Ti 2 Nb alloy are much smaller than the widths of the corresponding partials in the equiatomic CrCoNi alloy due to one or more of the minor alloying elements (Al, Ti, Nb). Dislocation slip in this alloy has a pronounced planar character. The leading dislocations in slip bands glide as pairs due to the existence of LRO domains. Multipoles were formed through the slip of dislocations with opposite signs on adjacent {111} slip planes. Those multipoles serve as building blocks for the formation of subgrain structures consisting of fine slip bands. The distances between slip bands were continuously refined during plastic deformation and dynamic refinement of slip bands plays a crucial role in strain hardening. The effects of LRO domains on planar dislocation slip, the deactivation of deformation twinning and strain hardening of this alloy are discussed.

36 MATERIALS SCIENCE↗

NASA NTRS1976

Rolling-contact deformation of MgO single crystals

Magnesium oxide single crystals were used as a model bearing material and deformed by rolling contact with a steel ball 0.64 cm in diameter. A dependence of depth of slip on rolling velocity which persisted with increasing numbers of rolling-contact cycles was discovered. The track width, track hardness and dislocation interactions as observed by transmission electron microscopy all increased in a consistent manner with increasing cycles. The rolling-contact state of stress produces a high density of dislocations in a localized zone. Dislocation interaction in this zone produces cleavage-type cracks after a large number of rolling-contact cycles. The orientation of the crystal influences the character of dislocation accumulation.

Dufrane, K. F.↗

NASA NTRS1987

Numerical modeling of troposphere-induced gravity wave propagation

Sources of internal gravity waves (IGW) in the upper atmosphere are assumed to be meteorological processes in the troposphere. These sources are vertically and horizontally inhomogeneous and time dependent. In order to describe the IGW propagation from such sources, a numerical solution of a system of hydrodynamical equations is required. In addition, it is necessary to take into account the influence of the altitude latitude inhomogeneity of the temperature and wind fields on the IGW propagation as well as the processes of dissipation. An algorithm is proposed for numerical modelling of the IGW propagation over a limited area from tropospheric local sources to the upper atmosphere. The algorithm takes into account all the above features. A spectral grid method is used with the expansion of wave fields into the Fourier series over longitude. The upper limit conditions were obtained from the requirement of a limited energy dissipation rate in an atmospheric column. The no slip (zero velocity) condition was used at the Earth's surface.

Gavrilov, N. M.↗

NASA NTRS1994

Analysis and design of numerical schemes for gas dynamics 1: Artificial diffusion, upwind biasing, limiters and their effect on accuracy and multigrid convergence

The theory of non-oscillatory scalar schemes is developed in this paper in terms of the local extremum diminishing (LED) principle that maxima should not increase and minima should not decrease. This principle can be used for multi-dimensional problems on both structured and unstructured meshes, while it is equivalent to the total variation diminishing (TVD) principle for one-dimensional problems. A new formulation of symmetric limited positive (SLIP) schemes is presented, which can be generalized to produce schemes with arbitrary high order of accuracy in regions where the solution contains no extrema, and which can also be implemented on multi-dimensional unstructured meshes. Systems of equations lead to waves traveling with distinct speeds and possibly in opposite directions. Alternative treatments using characteristic splitting and scalar diffusive fluxes are examined, together with modification of the scalar diffusion through the addition of pressure differences to the momentum equations to produce full upwinding in supersonic flow. This convective upwind and split pressure (CUSP) scheme exhibits very rapid convergence in multigrid calculations of transonic flow, and provides excellent shock resolution at very high Mach numbers.

Jameson, Antony↗

DOE OSTI2022

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Geodetic Evidence for Distributed Shear Below the Brittle Crust of the Walker Lane, Western United States

Abstract Models of active deformation of the Earth's crust are predominantly represented with dislocations having a downdip continuation into the lower crust, where the fault slips continuously. This model predicts surface strain accumulation concentrated near the fault during the interseismic period. In an alternative model, faults do not extend beneath the elastic portion of the crust and are accompanied by a wide zone of distributed shear underneath, predicting a more constant strain rate lacking concentrations at the faults. We use high‐precision GPS data collected across the northern and central Walker Lane, USA— a region of complex faulting near the western edge of the Basin and Range Province to evaluate which model is appropriate. Despite the existence of dense continuous and semi‐continuous geodetic networks that have been surveyed for ∼20 years, the horizontal velocities reveal no evidence of localized strain accumulation across the fault surface expressions. Instead, deformation within the Walker Lane is uniformly linear, suggesting that the surface deformation reflects distributed shear within the ductile crust rather than focused deformation at faults. This suggests no downdip extension of the faults below the seismogenic layer. The shear zone is 172 ± 6 km wide in the northernmost Walker Lane narrowing to 116 ± 4 km in the central Walker Lane. The total velocity budget across the shear zone is 7.2 ± 0.1 mm/yr in the north, increasing to 10.1 ± 0.1 mm/yr in the central Walker Lane. We conclude that assuming the presence of lower crustal dislocations when estimating geodetic faults slip rates may be inappropriate.

Geochemistry & Geophysics↗

DOE OSTI2025

Computing virtual dark-field X-ray microscopy images of complex discrete dislocation structures from large-scale molecular dynamics simulations

Dark-field X-ray microscopy (DFXM) is a novel diffraction-based imaging technique that non-destructively maps the local deformation from crystalline defects in bulk materials. While studies have demonstrated that DFXM can spatially map 3D defect geometries, it is still challenging to interpret DFXM images of the high-dislocation-density systems relevant to macroscopic crystal plasticity. This work develops a scalable forward model to calculate virtual DFXM images for complex discrete dislocation structure(s) (DDS) obtained from atomistic simulations. Our new DDS-DFXM model integrates a non-singular formulation for calculating the local strain from the DDS and an efficient geometrical optics algorithm for computing the DFXM image from the strain field. We apply the model to complex DDS obtained from a large-scale molecular dynamics simulation of compressive loading on single-crystal silicon. Simulated DFXM images exhibit prominent contrast for dislocation features between the multiple slip systems, demonstrating the potential of DFXM to resolve features from dislocation multiplication. In conclusion, the integrated DDS-DFXM model provides a toolbox for DFXM experimental design and image interpretation in the context of bulk crystal plasticity for a range of measurements across shock plasticity and the broader materials science community.

X-ray imaging↗

DOE OSTI2021

Sculpting crystals one Burgers vector at a time: Toward colloidal lattice robot swarms

Plastic deformation of crystalline materials with isotropic particle attractions proceeds by the creation and migration of dislocations under the influence of external forces. If dislocations are produced and migrated under the action of local forces, then material shape change can occur without the application of surface forces. We investigate how particles with variable diameters can be embedded in colloidal monolayers to produce dislocations on demand. Additionally, we find in simulation that when embedded clusters of variable diameter particles are taken through multiple cycles of swelling and shrinking, large cumulative plastic slip is produced by the creation and biased motion of dislocation pairs in the solid for embedded clusters of particular geometries. In this way, dislocations emitted by these clusters (biased “dislocation emitters”) can be used to reshape colloidal matter. Our results are also applicable to larger-scale swarms of robotic particles that organize into dense ordered two-dimensional (2D) arrangements. We conclude with a discussion of how dislocations fulfill for colloids the role sought by “metamodules” in lattice robotics research and show how successive applications of shear as a unit operation can produce shape change through slicing and swirling.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Analytical Simulation of the Effects of Local Mechanisms on the Tensile Response of CMC Minicomposites

A micromechanics-based method based on a fiber shear lag analysis was developed to analyze the fast fracture response of uncoated ceramic matrix minicomposites under room temperature conditions. The model was applied to two SiCf/SiC minicomposite systems that were fabricated by Rolls-Royce and the University of Connecticut. The analysis approach does not require the assumption that matrix cracks propagate along the entire width of the minicomposite. The ratio of the fiber slip length to the crack spacing was found to be a key parameter driving the stress level at which the proportional limit takes place and the secondary modulus. Parametric studies were performed to investigate the effect of interfacial shear stress, fiber volume fraction and percentage of the composite that remains uncracked on the proportional limit stress and the composite secondary modulus. This work will allow increased understanding of the key material mechanisms that take place during the fast fracture loading and can be expanded to provide improved analysis methods for full macro composites. simulations to simulations of a flat panel impact test, have been performed to fully exercise and evaluate the capabilities of the developed model.

Micromechanics↗

NASA NTRS1993

A new Lagrangian method for three-dimensional steady supersonic flows

In this report, the new Lagrangian method introduced by Loh and Hui is extended for three-dimensional, steady supersonic flow computation. The derivation of the conservation form and the solution of the local Riemann solver using the Godunov and the high-resolution TVD (total variation diminished) scheme is presented. This new approach is accurate and robust, capable of handling complicated geometry and interactions between discontinuous waves. Test problems show that the extended Lagrangian method retains all the advantages of the two-dimensional method (e.g., crisp resolution of a slip-surface (contact discontinuity) and automatic grid generation). In this report, we also suggest a novel three dimensional Riemann problem in which interesting and intricate flow features are present.

Loh, Ching-Yuen↗

DOE OSTI2021

Block Tectonics across Western Tibet and Multi-Millennial Recurrence of Great Earthquakes on the Karakax Fault

We report that fault slip rates are critical to quantify continental deformation. Those along the Karakax fault (northwestern Altyn Tagh Fault: ATF) have been debated, even though it is one of Tibet's most outstanding active faults. At Taersa, using LiDAR measurements of terrace and fan riser offsets (~6 to ~500 m) and 10 Be/ 26 Al dating of alluvial surfaces (<210 ka), we obtain a late Quaternary slip rate of ~2.5 ± 0.5 mm/yr. This doubles the ~2.6 ± 0.5 mm/yr rate time span found to the east and west. We interpret the ~150 km-long, free-faced rupture along the fault to be that of the M ~ 7.6 event felt in Hotan in 1882. Characteristic slip (~6 m) during four large earthquakes since ~10 ka implies a ~2500 ± 500 years return time. A ~3 mm/yr rate is consistent with the ~80 km offset of the Karakax river since uplift of the West Kunlun range and sediment deposition in the Tarim foreland accelerated, ~24 Ma ago. The faster slip rate (~10.5 mm/yr) on the central ATF matches the sum of those along the reactivated West Tibetan terrane boundaries (Karakax and Longmu-Gozha Co faults) at the Uzatagh triple junction (~36°N, 83°E). The abrupt termination and altitude drop of the Karakorum range where the Longmu Co and Karakorum faults meet (Angmong junction), also reflect triple junction kinematics. Such localized changes account for the rise of the Karakorum and West Kunlun ranges and support lithospheric block tectonics rather than diffusely distributed deformation.

58 GEOSCIENCES↗

NASA NTRS1984

Cenozoic rift formation in the northern Caribbean

Rifts form in many different tectonic environments where the lithosphere is put into extension. An outline is provided of the distribution, orientation, and relative ages of 16 Cenozoic rifts along the northern edge of the Caribbean plate and it is suggested that these structures formed successively by localized extension as the Caribbean plate moved eastward past a continental promontory of North America. Evidence leading to this conclusion includes (1) recognition that the rifts become progressively younger westward; (2) a two-phase subsidence history in a rift exposed by upthrusting in Jamaica; (3) the absence of rifts east of Jamaica; and (4) the observation that removal of 1400 km of strike-slip displacement on the Cayman Trough fault system places the Paleogene rifts of Jamaica in an active area of extension south of Yucatan where the rifts of Honduras and Guatemala are forming today.

Mann, P.↗

NASA NTRS1993

A spectral method determination of the first critical Rayleigh number for a low-Prandtl number crystal melt in a cylindrical container

The onset of laminar axisymmetric Rayleigh-Benard convection is investigated for a low-Prandtl number liquid metal in a cylindrical container. All surfaces are considered to be solid and no-slip. Two separate cases are examined for the thermal boundary conditions at the side wall, one with conducting and the other with insulated surface. The governing Boussinesq system is first perturbed and then simplified by introducing a Stokes stream function. Subsequently, a Chebyshev Galerkin spectral model is employed to reduce the simplified system to a system of first-order nonlinear ordinary differential equations. A local stability analysis determines the two values of the first critical Rayleigh number, Ra(sub cl), for the insulated and conducting side walls. As expected, the conducting Ra(sub cl) value of 2882.5 obtained from the present approach exceeded the corresponding insulated Ra(sub cl) value of 2331.6. For the insulated case, an earlier study using a different numerical approach suggests that Ra(sub cl) = 2261.9, while an experimental study measured Ra(sub cl) = 2700.

Dietz, C. M., Jr.↗

DOE OSTI2023

Effect of free surfaces on localized plastic deformation in single-crystal nickel containing helium bubbles and radiation-induced self-interstitial atom clusters

This paper presents molecular dynamics (MD) simulations of plastic deformation in single-crystal Ni models containing internal distributions of helium (He) bubbles and self-interstitial atom (SIA) clusters corresponding to experimental characterization of ex-service Inconel X-750 components. Here, we simulate single crystals with and without free surfaces at room temperature and 588K, the latter temperature corresponding to the Inconel X-750 service conditions. Both models are deformed under multiple slip to a maximum deviatoric strain of ~10 %. A dislocation slip band forms in the model without free surfaces, but not in the model with free surfaces. However, the latter exhibits nano-twin nucleation from surfaces. Helium (He) bubbles that overlap with a slip band or a nano-twinned region deform more severely than other bubbles in the model. Nevertheless, the bubbles do not link up and do not form configurations that resemble incipient cracks.

36 MATERIALS SCIENCE↗

DOE OSTI2022

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

This paper presents a new robust large-strain (LS) elasto-viscoplastic (EVP) formulation based on Fast Fourier Transforms (FFTs) for the prediction of the micro-mechanical response and microstructure evolution of polycrystalline and multiphase materials, with emphasis on the effect of strong crystallographic and/or morphologic anisotropy on localization of plastic deformation. In this work, the novel LS-EVPFFT formulation allows treatment of complex initial geometries and large deformations considering three grids of material points: a regular grid in the reference configuration, where FFTs can be performed; an irregular grid in the initial configuration, created by applying a stress-free displacement field to the reference regular grid; and an irregular grid in the current configuration, undergoing large strains and rotations as the material is loaded. Further numerical stability of the new formulation also required the use of a novel expression for the discrete modified Green’s operator, which reduces spurious field oscillations. After presenting and validating the new formulation by comparison with preexisting implementations and analytical solutions, LS-EVPFFT is applied to the prediction of slip and kink bands formation in polycrystalline columnar ice, and kink bands in single crystal zinc wires, showing good agreement with classic experiments. Finally, the model is used to study kink band formation during compression of Cu–Nb nano-metallic laminates (NMLs), in which accurate treatment of the complex geometry associated with the tortuosity of interfaces and large deformations become critical, showing consistency with corresponding micropillar experiments.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Thin-layer and full Navier-Stokes, locally-conical and three-dimensional asymmetric solutions

The unsteady, compressible thin-layer and full Navier-Stokes equations are used to numerically simulate steady and unsteady asymmetric, supersonic, locally-conical flows around a 5-deg-semiapex angle circular cone. The main computational scheme used for the present computations is the implicit, upwind, flux-difference splitting, finite-volume scheme. Comparisons of the solutions using the two sets of equations are presented for the flow asymmetry and its control. Computational studies are also presented to investigate the effects of the freestream Reynolds number and the locally-scaled Reynolds number on the flow asymmetry. These studies are carried out using the full Navier-Stokes equations. Three-dimensional, asymmetric flow solutions are also presented for a 5-deg-semiapex angle cone of unit length and a cone-cylinder configuration. The three-dimensional solutions are obtained by using the thin-layer equations and short-duration transient side-slip disturbances along with a very fine grid.

Kandil, O. A.↗

DOE OSTI2023

Resolving intragranular stress fields in plastically deformed titanium using point-focused high-energy diffraction microscopy

Abstract The response of a polycrystalline material to a mechanical load depends not only on the response of each individual grain, but also on the interaction with its neighbors. These interactions lead to local, intragranular stress concentrations that often dictate the initiation of plastic deformation and consequently the macroscopic stress–strain behavior. However, very few experimental studies have quantified intragranular stresses across bulk, three-dimensional volumes. In this work, a synchrotron X-ray diffraction technique called point-focused high-energy diffraction microscopy (pf-HEDM) is used to characterize intragranular deformation across a bulk, plastically deformed, polycrystalline titanium specimen. The results reveal the heterogenous stress distributions within individual grains and across grain boundaries, a stress concentration between a low and high Schmid factor grain pair, and a stress gradient near an extension twinning boundary. This work demonstrates the potential for the future use of pf-HEDM for understanding the local deformation associated with networks of grains and informing mesoscale models. Graphical abstract

36 MATERIALS SCIENCE↗

DOE OSTI2022

Comparison of cracking behavior of nanocrystalline Cu film on substrates of different plastic deformation mechanisms

Nanocrystalline (NC) metallic thin films on metal substrates usually undergo substantial cracking at applied strains of a few percent due to strain concentration at the film/substrate interfaces. In this work, we show that the cracking of a nanocrystalline Cu film can be significantly inhibited by a NiTi substrate. NC Cu films are deposited on 304 stainless steel, Kapton and NiTi substrates, in which plastic deformation occurs via dislocation slip, molecule chain disentanglement and collective lattice shear, respectively. NC Cu film on NiTi substrate starts to show observable cracks at an applied strain of 24%, in contrast to 6% for that on steel and 15% for that on Kapton. Further, the crack density in the film on NiTi substrate is two to three orders lower than the counterparts. The discrepancy is suggested to attribute to the reduced local strain concentration enabled by the uniform lattice shear and high strain hardening of the NiTi substrate.

36 MATERIALS SCIENCE↗