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At least 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Amorphous complexions alter the tensile failure of nanocrystalline Cu-Zr alloys

Grain boundary-based mechanisms are known to control the plastic deformation and failure of nanocrystalline metals, with manipulation of the boundary structure a promising path for tuning this response. In this study, the role of interfacial structural disorder on plasticity and failure of nanocrystalline Cu-Zr alloys is investigated with in situ scanning electron microscopy tensile deformation experiments. Two model materials are created, one with only the typical ordered grain boundaries and another with amorphous intergranular films interspersed into the boundary network, while the microstructures are otherwise identical. Hence, the importance of complexion type on plasticity and failure is isolated by only varying complexion structure. Here, the tensile experiments show that failure of the samples containing amorphous films is significantly retarded, as evidenced by an increase in the cross-sectional area reduction, a decrease in the occurrence of shear-dominated failure, a decrease in strain localization, and fracture surfaces with more elongated dimple features. As a whole, this study provides direct evidence that structural disorder at the grain boundaries can be beneficial for improving the ductility of nanocrystalline metals.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Atom-in-jellium predictions of the shear modulus at high pressure

Atom-in-jellium calculations of the Einstein frequency in condensed matter and of the equation of state were used to predict the variation of shear modulus from zero pressure to ~10 7 g/cm 3 , for several elements relevant to white dwarf stars and other self-gravitating systems. This is by far the widest range reported electronic structure calculation of shear modulus, spanning from ambient through the one-component plasma to extreme relativistic conditions. The predictions were based on a relationship between the Debye temperature and shear modulus, which we assess to be accurate at the o(10%) level, and is the first known use of atom-in-jellium theory to calculate a shear modulus. Finally, we assessed the overall accuracy of the method by comparing with experimental measurements and more detailed electronic structure calculations at lower pressures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Understanding Twinning and Deformation in High Entropy Alloys

On the one hand, multi-principal element alloys (MPEAs) have created a paradigm shift in alloy design due to large compositional space, whereas on the other, they have presented enormous computational challenges for theory-based materials design, especially density functional theory (DFT), which is inherently computationally expensive even for traditional dilute alloys. In this project, we developed a machine learning framework, namely PREDICT ( PR edict properties from E xisting D atabase I n C omplex alloys T erritory), that opens a pathway to predict elastic constants in large compositional space with little computational expense. The framework only relies on the DFT database of binary alloys and predicts Voigt–Reuss–Hill Young’s modulus, shear modulus, bulk modulus, elastic constants, and Poisson’s ratio in MPEAs. We show that the key descriptors of elastic constants are the A–B bond length and cohesive energy. The framework can predict elastic constants in hypothetical compositions as long as the constituent elements are present in the database, thereby enabling property exploration in multi-compositional systems. We illustrate predictions in a FCC Ni-Cu-Au-Pd-Pt system.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Variational theorems for superimposed motions in elasticity, with application to beams

Variational theorems are presented for a theory of small motions superimposed on large static deformations and governing equations for prestressed beams on the basis of 3-D theory of elastodynamics. First, the principle of virtual work is modified through Friedrichs's transformation so as to describe the initial stress problem of elastodynamics. Next, the modified principle together with a chosen displacement field is used to derive a set of 1-D macroscopic governing equations of prestressed beams. The resulting equations describe all the types of superimposed motions in elastic beams, and they include all the effects of transverse shear and normal strains, and the rotatory inertia. The instability of the governing equations is discussed briefly.

Doekmeci, M. C.↗
NASA NTRS1986

Crustal deformation in great California earthquake cycles

Periodic crustal deformation associated with repeated strike slip earthquakes is computed for the following model: A depth L (less than or similiar to H) extending downward from the Earth's surface at a transform boundary between uniform elastic lithospheric plates of thickness H is locked between earthquakes. It slips an amount consistent with remote plate velocity V sub pl after each lapse of earthquake cycle time T sub cy. Lower portions of the fault zone at the boundary slip continuously so as to maintain constant resistive shear stress. The plates are coupled at their base to a Maxwellian viscoelastic asthenosphere through which steady deep seated mantle motions, compatible with plate velocity, are transmitted to the surface plates. The coupling is described approximately through a generalized Elsasser model. It is argued that the model gives a more realistic physical description of tectonic loading, including the time dependence of deep slip and crustal stress build up throughout the earthquake cycle, than do simpler kinematic models in which loading is represented as imposed uniform dislocation slip on the fault below the locked zone.

Li, Victor C.↗
NASA NTRS1986

A mechanism for tectonic deformation on Venus

In the absence of identifiable physiographic features directly associated with plate tectonics, alternate mechanisms are sought for the intense tectonic deformation observed in radar images of Venus. One possible mechanism is direct coupling into an elastic lithosphere of the stresses associated with convective flow in the interior. Spectral Green's function solutions have been obtained for stresses in an elastic lithosphere overlying a Newtonian interior with an exponential depth dependence of viscosity, and a specified surface-density distribution driving the flow. At long wavelengths and for a rigid elastic/fluid boundary condition, horizontal normal stresses in the elastic lid are controlled by the vertical shear stress gradient and are directly proportional to the depth of the density disturbance in the underlying fluid. The depth and strength of density anomalies in the Venusian interior inferred by analyses of long wavelength gravity data suggest that stresses in excess of 100 MPa would be generated in a 10 km thick elastic lid unless a low viscosity channel occurring beneath the lid or a positive viscosity gradient uncouples the flow stresses. The great apparent depth of compensation of topographic features argues against this, however, thus supporting the importance of the coupling mechanism. If there is no elastic lid, stresses will also be very high near the surface, providing also that the viscosity gradient is negative.

Phillips, Roger J.↗
NASA NTRS2020

Stress Promotion of the 1958 Mw∼7.8 Fairweather Fault Earthquake and Others in Southeast Alaska by Glacial Isostatic Adjustment and Inter-earthquake Stress Transfer

We assess how recent glacial isostatic adjustment (GIA) and inter-earthquake stress transfer modulated the state of stress on major faults in Southeast Alaska, and how these effects may have influenced recent large and moderate earthquakes. The Glacier Bay Icefield has lost >3,000 km3 of ice since ca. 1770, with ice thinning up to 1.5 km, and the rest of southeast Alaska has been deglaciating since ca. 1900. The resulting GIA response in the solid earth produces present-day surface uplift rates of up to ∼4 cm/yr, among the fastest on Earth. This rapid deformation occurs directly alongside and atop the Fairweather Fault, which accommodates 4–5 cm/yr of right-lateral motion through slip in frequent large earthquakes, recently including a Mw∼7.8 earthquake in 1958. We find that the 1958 earthquake nucleated very close to the location of maximum GIA-induced Coulomb stress increase on the Fairweather Fault between 1770 and 1958 (estimated at ∼0.2–0.6 MPa), on the only section of fault where GIA-induced stress changes had involved both right-lateral shearing and unclamping. The September 10, 1899 Mw∼8.1 Yakutat Bay earthquake also promoted failure on at least the northwest part of the eventual 1958 rupture. In turn, the 1899 and 1958 earthquakes and GIA promoted failure along the St. Elias compressional margin, the site of a Mw∼7.4 event in 1979. While rapid tectonic loading is very likely the main driver of earthquakes in southeast Alaska, we estimate that 23 of 30 instrumentally constrained Mw ≥ 5.0 earthquakes in this region were also promoted by post-1770 GIA.

Chris Rollins↗
DOE OSTI2021

New Extrusion Method is Taking ShAPE

PNNL’s patented Shear Assisted Processing and Extrusion (ShAPE™) includes a novel extrusion machine, tooling, and associated processing techniques that delivers high-performance metal alloys for a wide range of market needs. ShAPE is a technique for manufacturing wire, bar, and tubular extrusions with unprecedented properties and manufacturing advantages compared to conventional extrusion. In a single step, ShAPE extrudes metal powder, flake, chip, and ingot directly into products with properties that cannot be achieved by conventional means. ShAPE delivers better products, because it uniquely mixes and deforms the metal feedstocks in their solid form without melting them, dramatically improving product properties and the energy efficiency of production.

Joshi, Vineet V.↗
DOE OSTI2020

The effects of heat treatment on the response of WE43 Mg alloy: crystal plasticity finite element simulation and SEM-DIC experiment

The present report addressed the effects of heat treatment on the mechanical response of a WE43 Mg alloy using an integrated framework of SEM-DIC experiment and CPFE simulation. Both macroscopic responses including yield strength, ultimate strength, ductility, and microscopic responses, including local displacement and strain maps, were experimentally investigated. The focus of this work is to use the CPFE simulation as an integrated computational tool to study the effects of heat treatment. The CPFE framework was evaluated using the local fields of displacement and strain obtained from the SEM-DIC experiment rather than the conventional scheme of using macroscopic responses at different loading directions. Subsequently, the information which is available using CPFE, such as the critical resolved shear stress (CRSS) and relative slip activity, was used to study the effects of heat treatment on the response of WE43 Mg alloy. The contributions of different strengthening mechanisms on the CRSS were addressed. The results show that effects of heat treatment can be captured using the predominant mechanisms of the grain size effect and the influence of precipitates. Finally, it has been shown that classical Hall-Petch in which one constant can capture the size effects, should be modified. To do so, each deformation mode should have a unique Hall-Petch constant, which are calculated here for the WE43 Mg alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In situ observation of the deformation and fracture of an alumina-alumina ceramic-matrix composite at elevated temperature using x-ray computed tomography

The deformation and fracture of a 0/90° Nextel 720 mullite fibre / alumina matrix ceramic-matrix composite material has been observed by in situ synchrotron x-ray computed micro-tomography at ambient temperature and at 1100 °C. A three-point loading configuration was used and samples were loaded monotonically until final fracture. Here, the flexural strength was found to be unaffected by temperature. 3D visualisation of the microstructure showed fracture occurred by propagation of internal cracks at stresses close to the flexural strength. Shear fractures propagated across fibre bundles that were oriented perpendicular to the flexural stress at both room temperature and 1100 °C. At the higher temperature, an additional failure mode of delamination was observed, that may arise from relaxation of thermal residual stresses and creep.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Tuning the Mechanical Properties of Shape Memory Metallic Glass Composites with Brick and Mortar Designs

We use molecular dynamics simulations to characterize the tensile deformation and failure of shape memory alloy-bulk metallic glass composites (BMGCs). As the failure in BMGCs shifts from the MG matrix to the second phase different strategies are required to further improve their mechanical properties. Results show that a staggered brick BMGC displays enhanced ductility with mild strength loss following a homogeneously distributed plasticity. This demonstrates that judiciously designed BMGCs can effectively synergize the mechanical properties of metallic glasses and shape memory alloys by effectively distributing stress and preventing the generation of critical shear bands and premature failure while preserving strength.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mechanism of the wurtzite to rocksalt phase transformation in cadmium sulfide single crystals shock compressed along the 𝑐-axis to elastic impact stresses of ∼ 5 GPa

Cadmium sulfide (CdS), which exhibits a wurzite (WZ) to rocksalt (RS) phase transformation at elevated stresses, is an ideal system to address the role of deformation on phase transformation mechanisms and kinetics. CdS has been shown to have very different elastic-inelastic behavior for shock propagation along the WZ 𝑐- and 𝑎-axes, and also exhibits significant differences in the time scale for the phase transformation when shocked along these different axes. As an important first step in examining the role of deformation in shock-induced phase transformations, here we present in situ, time-resolved x-ray diffraction (XRD) measurements in single-event, shock wave experiments on CdS single crystals shocked along the WZ 𝑐-axis to elastic impact stresses near or above ∼ 5 GPa, where a marked increase in the kinetics of this transformation has been reported. The XRD measurements are compared with forward diffraction simulations to evaluate different proposed phase transformation mechanisms and are shown to be consistent with a shearing mechanism that results in the RS [001] direction being aligned with the original WZ 𝑐-axis and the RS [110] direction being aligned with the original WZ 𝑎-axis. In order to reproduce all observed RS diffraction spots the forward diffraction simulations required three different RS crystalline domains, each with a [110] direction aligned with one of the three original WZ 𝑎-axes, and a significant mosaicity, particularly about the RS [001] direction (the direction of shock propagation). In conclusion, this large mosaicity is likely due to variations in the possible shearing mechanisms that connect the WZ and RS structures, which can create crystallites with up to ∼ ±10° of relative rotations about the RS [001] direction, as well as further rotation of these crystallites as they grow, merge, and coalesce.

Crystal structure↗
NASA NTRS1950

The longitudinal stability of elastic swept wings at supersonic speed

The longitudinal stability characteristics of elastic swept wings of high aspect ratio experiencing bending and torsional deformations are calculated for supersonic speed by the application of linearized lifting-surface theory. A parabolic wing deflection curve is assumed and the analysis is simplified by a number of structural approximations. The method is thereby limited in application to wings of high aspect ratio for which the root effects are small. Expressions for the lift, pitching-moment, and span load distribution characteristics are derived in terms of the elastic properties of the wing; namely, the design stress, the modulus of elasticity, the shearing modulus, and the maximum design load factor. The analysis applies to wings with leading edges swept behind the Mach lines. In all cases, however, the trailing edge is sonic or supersonic. Application of the method of analysis to wings with leading edges swept ahead of the Mach lines is discussed.

Frick, C W↗
DOE OSTI2024

DECOVALEX-2023: Task A Final Report

Task A, also known as HGFrac, examines the fracturing processes that may occur in the Callovo-Oxfordian claystone (COx) in the context of the high-level (HLW) and intermediate-level long-lived (ILW-LL) radioactive waste repository in France. Understanding these processes and improving numerical models to reproduce them will aid in the design, optimization, and safety of the repository. Heat and gas fracturing are studied in two independent subtasks following a stepwise approach: laboratory tests/benchmark exercises, in-situ experiment, and finally, an application case. The in-situ heater experiment aimed to thermally induce a hydraulic fracture; temperature and pore pressure were monitored to detect any evidence of fracturing. The in-situ gas injection experiment aimed to study the effect of the stress orientation and gas injection kinetics on the gas fracturing process. The occurrence of fracturing was monitored by gas pressure measured in the injection interval. In both experiments, the excavation-induced fracture network around the heater/injection boreholes played an important role in the reduction of the compressive stress state, leading to both a tensile and shear failure response of the COx. During the first two years of the project, the research teams working on each task developed and/or proposed numerical approaches for reproducing the occurrence of fracturing in the in-situ experiments. The failure criteria were defined by reproducing the measurements from laboratory extension tests for the heat fracturing subtask. In the gas fracturing subtask, their approaches were used for simulating several benchmark exercises, and an inter-comparison between models was carried out. In both tasks, the developed approaches were compared with a simplified approach considering poro-elasticity for the mechanical behaviour of the COx. Most of the developed approaches are based on a continuous medium that takes into account variations in hydraulic properties due to mechanical degradation, such as plastic deformation or damage. Other approaches implicitly modelled weak planes or embedded discontinuities to reproduce fracture propagation. The potential for fracture initiation was also studied through of a discrete approach. In the second half of the project, the research teams mainly focused on interpretative modelling of two in-situ experiments and a blind prediction exercise to test their respective approaches. The models developed by the research teams were also applied at the repository scale to evaluate fracture initiation in a case study under vi unfavourable conditions, particularly in terms of spacing between High-Level Waste cells. The results showed that the poro-elasticity approach could be an efficient tool for understanding the main processes occurring in the COx. One example is the explicit representation of the excavation-induced fracture network around the boreholes, which yielded acceptable results compared to the measurement data. However, advanced approaches were needed to evaluate the potential increase of the excavation-induced fracture network extend and better understand fracture initiation. The stress analyses carried out by the teams revealed that hydraulic boundary conditions had a strong impact on fracture initiation in the heater experiment. Furthermore, in most cases, the results required higher pore pressure increments to reach fracturing than those measured in the experiment. This implies that the measurements may have been biased by the packer’s capacity to fully isolate the piezometric chambers, leading to lower pressures. On the contrary, there was no agreement on the fracturing mode, as some reported either shear or tensile fracturing, while others reported a combination of the two modes. In the case of gas fracturing, the research teams were limited to the comparison of a single point, which complicated their task. Nonetheless, the numerical results were able to reproduce the measurements and capture processes such as longitudinal gas flow through the excavation-induced fracture network, as suggested by some evidence in the observation piezometric chambers. The numerical models also agreed with the measurements in the sense of higher probability of developing along the injection borehole than radially towards the sound rock. The approaches developed by the research teams showed that they are capable of analysing and reproducing fracture initiation in the COx. However, areas of future work should focus on the fracture propagation and fracture aperture, which were out of the scope of this task. To this end, additional data must be gathered for the parameter characterisation and validation of the numerical models. Nonetheless, various approaches showed promising results as they were able to reproduce fracture development under certain conditions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Extending Interfaces in 3D to Achieve Superior Nanoscale Strength in Ti/Nb Nanolaminates

Tuning the atomic-level structure of nanolaminates enables high strength, increased deformability, and the ability to absorb and mitigate damage due to varied crystalline defects, including dislocations. Here, we present the enhanced strength of Ti/Nb nanolaminates containing thick 3D interfaces (3DIs), relative to their chemically abrupt 2D counterparts. We examine the effects of crystallographic alignment and compositional gradients on mechanical behavior via experiments and phase-field-dislocation dynamics (PFDD) modeling. Mechanical testing reveals that nanolaminates containing thicker 3DIs demonstrate a 28% hardness enhancement compared with sharp-interface nanolaminates. PFDD modeling shows that the critical resolved shear stress (CRSS) increases with the 3DI thickness. Gradual compositional transitions in 3DIs were confirmed via scanning transmission electron microscopy and high-resolution transmission electron microscopy, showing sharp crystallographic transitions and a heightened interface topography. The findings establish a positive function between the 3DI thickness and mechanical robustness for hexagonal-closest-packed-containing composites, emphasizing the role of defect–interface interactions in tailoring the mechanical performance and providing a foundation for future interfacial engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Anisotropic neutron star crust, solar system mountains, and gravitational waves

"Mountains" or non-axisymmetric deformations of rotating neutron stars (NS) efficiently radiate gravitational waves (GW). We consider analogies between NS mountains and surface features of solar system bodies. Both NS and moons such as Europa or Enceladus have thin crusts over deep oceans while Mercury has a thin crust over a large metallic core. Thin sheets may wrinkle in universal ways. Europa has linear features, Enceladus has "Tiger" stripes, and Mercury has lobate scarps. NS may have analogous features. The innermost inner core of the Earth is anisotropic with a shear modulus that depends on direction. If NS crust material is also anisotropic this will produce an ellipticity, when the crust is stressed, that grows with spin frequency. This yields a braking index (log derivative of spin down rate assuming only GW spin down) very different from n=5 and could explain the maximum spin observed for neutron stars and a possible minimum ellipticity of millisecond pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

An elastic failure model of indentation damage

A mechanistically consistent model for indentation damage based on elastic failure at tensile or shear overloads, is proposed. The model accommodates arbitrary crack orientation, stress relaxation, reduction and recovery of stiffness due to crack opening and closure, and interfacial friction due to backward sliding of closed cracks. This elastic failure model was implemented by an axisymmetric finite element program which was used to simulate progressive damage in a silicon nitride plate indented by a tungsten carbide sphere. The predicted damage patterns and the permanent impression matched those observed experimentally. The validation of this elastic failure model shows that the plastic deformation postulated by others is not necessary to replicate the indentation damage of brittle structural ceramics.

Liaw, B. M.↗
DOE OSTI2024

Real-time evolution of texture and temperature during friction stir processing of a magnesium alloy: An operando neutron diffraction study

The real-time development of texture and the evolution of temperature during friction stir processing (FSP) of a Mg alloy were investigated using an operando neutron diffraction measurement. A novel approach was applied in this study where the real-time, quasi-steady state measurements performed as a function of position during FSP are converted to a Lagrangian dataset that reveals the transient behavior as a function of time. The in-situ FSP was carried out under two different thermo-mechanical processing conditions represented by the Zener-Hollomon parameter, Z. Further, the results show that: (i) a shear texture develops from the initial strong basal texture with the peak temperature reaching about 774 K during a low-Z processing and (ii) a strong off-normal texture develops with a peak temperature of 616 K during a high-Z processing. Moreover, time-temperature-texture diagrams were established to reveal the real-time development of the texture during the processing for both the low Z and high Z processing conditions. The changes in texture will be discussed in terms of plastic deformation mechanisms active during various stages of the FSP under the two different processing conditions.

36 MATERIALS SCIENCE↗