Atomic, Crystal, Elastic, Thermal, Nuclear, and Other Properties of Beryllium

Goldberg, A.

doi:10.2172/899094

Cited by 5 publications

(1 citation statement)

References 11 publications

(21 reference statements)

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“…The simulations approximate the elastic response of the material as isotropic with a shear modulus of 149 GPa and a Poissonʼs ratio of 0.045. The c/a ratio is 1.568, and the magnitude of the Burgers vector of type ⟨ ⟩ a is 0.228 nm [25]. This work considers dislocations with one of ten Burgers vectors: three ⟨ ⟩ a directions, six + ⟨ ⟩ c a directions, and one ⟨ ⟩ c direction.…”

Section: Dd Simulationsmentioning

confidence: 99%

A crystal plasticity model for slip in hexagonal close packed metals based on discrete dislocation simulations

Messner

Rhee

Arsenlis

et al. 2017

Modelling Simul. Mater. Sci. Eng.

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This work develops a method for calibrating a crystal plasticity model to the results of discrete dislocation (DD) simulations. The crystal model explicitly represents junction formation and annihilation mechanisms and applies these mechanisms to describe hardening in hexagonal close packed metals. The model treats these dislocation mechanisms separately from elastic interactions among populations of dislocations, which the model represents through a conventional strength-interaction matrix. This split between elastic interactions and junction formation mechanisms more accurately reproduces the DD data and results in a multi-scale model that better represents the lower scale physics. The fitting procedure employs concepts of machine learning—feature selection by regularized regression and cross-validation—to develop a robust, physically accurate crystal model. The work also presents a method for ensuring the final, calibrated crystal model respects the physical symmetries of the crystal system. Calibrating the crystal model requires fitting two linear operators: one describing elastic dislocation interactions and another describing junction formation and annihilation dislocation reactions. The structure of these operators in the final, calibrated model reflect the crystal symmetry and slip system geometry of the DD simulations.

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Section: Dd Simulationsmentioning

confidence: 99%