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Inelastic peridynamic model for molecular crystal particles

Computational Particle Mechanics

Silling, Stewart A.; Barr, Christopher M.; Cooper, Marcia A.; Lechman, Jeremy B.; Bufford, Daniel C.

The peridynamic theory of solid mechanics is applied to modeling the deformation and fracture of micrometer-sized particles made of organic crystalline material. A new peridynamic material model is proposed to reproduce the elastic–plastic response, creep, and fracture that are observed in experiments. The model is implemented in a three-dimensional, meshless Lagrangian simulation code. In the small deformation, elastic regime, the model agrees well with classical Hertzian contact analysis for a sphere compressed between rigid plates. Under higher load, material and geometrical nonlinearity is predicted, leading to fracture. The material parameters for the energetic material CL-20 are evaluated from nanoindentation test data on the cyclic compression and failure of micrometer-sized grains.

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Rethinking scaling laws in the high-cycle fatigue response of nanostructured and coarse-grained metals

International Journal of Fatigue

Heckman, Nathan H.; Padilla, Henry A.; Michael, Joseph R.; Barr, Christopher M.; Clark, Blythe C.; Hattar, Khalid M.; Boyce, Brad B.

The high-cycle fatigue life of nanocrystalline and ultrafine-grained Ni-Fe was examined for five distinct grain sizes ranging from approximately 50–600 nm. The fatigue properties were strongly dependent on grain size, with the endurance limit changing by a factor of 4 over this narrow range of grain size. The dataset suggests a breakdown in fatigue improvement for the smallest grain sizes <100 nm, likely associated with a transition to grain coarsening as a dominant rate-limiting mechanism. The dataset also is used to explore fatigue prediction from monotonic tensile properties, suggesting that a characteristic flow strength is more meaningful than the widely-utilized ultimate tensile strength.

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In Situ Transmission Electron Microscopy for Ultrahigh Temperature Mechanical Testing of ZrO2

Nano Letters

Grosso, Robson L.; Muccillo, Eliana N.S.; Muche, Dereck N.F.; Jawaharram, Gowtham S.; Barr, Christopher M.; Monterrosa, Anthony M.; Castro, Ricardo H.R.; Hattar, Khalid M.; Dillon, Shen J.

This work demonstrates a novel approach to ultrahigherature mechanical testing using a combination of in situ nanomechanical testing and localized laser heating. The methodology is applied to characterizing and testing initially nanograined 10 mol % Sc2O3-stabilized ZrO2 up to its melting temperature. The results suggest that the lowerature strength of nanograined, d < 50 nm, oxides is not influenced by creep. Tensile fracture of ZrO2 bicrystals produce a weakerature dependence suggesting that grain boundary energy dominates brittle fracture of grain boundaries even at high homologous temperatures; for example, T = 2050 °C or T ≈ 77% Tmelt. The maximum temperature for mechanical testing in this work is primarily limited by the instability of the sample, due to evaporation or melting, enabling a host of new opportunities for testing materials in the ultrahigherature regime.

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New nanoscale toughening mechanisms mitigate embrittlement in binary nanocrystalline alloys

Nanoscale

Heckman, Nathan H.; Foiles, Stephen M.; O'Brien, Christopher J.; Chandross, M.; Barr, Christopher M.; Argibay, Nicolas A.; Hattar, Khalid M.; Lu, Ping L.; Adams, David P.; Boyce, Brad B.

Nanocrystalline metals offer significant improvements in structural performance over conventional alloys. However, their performance is limited by grain boundary instability and limited ductility. Solute segregation has been proposed as a stabilization mechanism, however the solute atoms can embrittle grain boundaries and further degrade the toughness. In the present study, we confirm the embrittling effect of solute segregation in Pt-Au alloys. However, more importantly, we show that inhomogeneous chemical segregation to the grain boundary can lead to a new toughening mechanism termed compositional crack arrest. Energy dissipation is facilitated by the formation of nanocrack networks formed when cracks arrested at regions of the grain boundaries that were starved in the embrittling element. This mechanism, in concert with triple junction crack arrest, provides pathways to optimize both thermal stability and energy dissipation. A combination of in situ tensile deformation experiments and molecular dynamics simulations elucidate both the embrittling and toughening processes that can occur as a function of solute content.

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Results 1–25 of 52
Results 1–25 of 52