Plasticity-induced restructuring of a nanocrystalline grain boundary network

  title={Plasticity-induced restructuring of a nanocrystalline grain boundary network},
  author={Jason F. Panzarino and T. Rupert},
  journal={arXiv: Materials Science},
The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately, current experimental techniques are unable to track such evolution, due to limits on both spatial and temporal resolution. In this work, molecular dynamics simulations are used to study grain boundary restructuring in nanocrystalline Al during both monotonic… Expand
Grain-Size-Dependent Grain Boundary Deformation during Yielding in Nanocrystalline Materials Using Atomistic Simulations
While the advantageous mechanical properties of nanocrystalline (NC) materials have stimulated numerous studies over the past decade, fewer studies have looked at the onset of yielding andExpand
Interplay Between Grain Boundary Migration , Grain Rotation and Intra-granular Plasticity in Nanocrystalline Materials
Nanocrystalline materials have been engineered in recent decades for the potential to achieve superior mechanical properties such as strength, ductility and toughness. When grain sizes are reduced toExpand
Influence of grain boundary structure and topology on the plastic deformation of nanocrystalline aluminum as studied by atomistic simulations
Abstract Nanocrystalline materials, with grain sizes below 100 nm, have been the subject of many research studies in the recent past. At these reduced grain sizes, grain boundaries (GBs) play a veryExpand
Coupled model for grain rotation, dislocation plasticity and grain boundary sliding in fine-grained solids
Abstract Based on a new model coupling both direct and inverse grain rotation processes, we discuss interrelations between the dislocation mechanism of plasticity and the grain boundary sliding inExpand
Pronounced grain boundary network evolution in nanocrystalline Cu subjected to large cyclic strains
The grain boundary network of nanocrystalline Cu foils was modified by the systematic application of cyclic loadings and elevated temperatures having a range of magnitudes. Most broadly, the changesExpand
A phase field model of grain boundary migration and grain rotation under elasto–plastic anisotropies
Abstract We propose a phase field framework to model both grain rotation and grain boundary migration in a mechanically loaded elasto–plastic solid. We develop this framework on the grounds of theExpand
Grain boundaries dependence of plastic deformation in nanocrystalline Cu film investigated by phase field and molecular dynamics methods
Abstract The phase filed model was used to create the nanocrystalline (NC) Cu film with more natural grain boundaries (GBs) for molecular dynamics (MD) simulation. The results obtained by using theseExpand
Grain size effects on indentation-induced defect evolution and plastic deformation mechanism of ploycrystalline materials
Abstract Using molecular dynamics (MD) simulations, the defect evolution and plastic deformation mechanism of single-crystalline and polycrystalline copper under spherical nanoindentation areExpand
A synergetic grain growth mechanism uniting nanograin rotation and grain boundary migration in nanocrystalline materials
Abstract A theoretical model has been developed to analyze the energetic characteristic of a cooperative grain growth process in nanocrystalline materials. We proposed that the process can beExpand
Influence of grain boundary activites on elastic and plastic deformation of nanocrystalline Cu as studied by phase filed and atomistic simulaiton
Abstract When the grain size is below a critical value, the deformation mechanism of nanocrystalline (NC) metal shifts from dislocation- to grain boundaries (GBs)-mediated activities. However, GBExpand


Quantitative tracking of grain structure evolution in a nanocrystalline metal during cyclic loading
Molecular dynamics simulations were used to quantify mechanically induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclicallyExpand
Analysis of grain boundary networks and their evolution during grain boundary engineering
Abstract The goal of grain boundary engineering is to increase the fraction of so-called special grain boundaries, while decreasing the contiguity of the remaining random boundaries which areExpand
Nanocrystalline grain boundary engineering: Increasing $\Sigma$3 boundary fraction in pure Ni with thermomechanical treatments
Grain boundary networks should play a dominant role in determining the mechanical properties of nanocrystalline metals. However, these networks are difficult to characterize and their response toExpand
Strain localization in a nanocrystalline metal: Atomic mechanisms and the effect of testing conditions
Molecular dynamics simulations are used to investigate strain localization in a model nanocrystalline metal. The atomic mechanisms of such catastrophic failure are first studied for two grain sizesExpand
Mechanisms of grain growth in nanocrystalline fcc metals by molecular-dynamics simulation.
To elucidate the mechanisms of grain growth in nanocrystalline fcc metals, we have performed fully three-dimensional molecular-dynamics simulations with a columnar grain structure and an averageExpand
Non-equilibrium grain boundary structure and inelastic deformation using atomistic simulations
Grain boundary influence on material properties becomes increasingly significant as grain size is reduced to the nanoscale. Nanostructured materials produced by severe plastic deformation techniquesExpand
On non-equilibrium grain boundaries and their effect on thermal and mechanical behaviour: a molecular dynamics computer simulation
Molecular dynamics simulation is used to study the tensile mechanical properties of face-centred cubic Ni nanocrystalline materials with mean grain size of 12 nm. Three samples are considered: oneExpand
Grain rotation mediated by grain boundary dislocations in nanocrystalline platinum
At atomic-scale images, it is demonstrated directly that the evolution of the misorientation angle between neighbouring grains can be quantitatively accounted for by the change of the Frank–Bilby dislocation content in the grain boundary. Expand
Mechanically driven grain boundary relaxation: a mechanism for cyclic hardening in nanocrystalline Ni
Molecular dynamics simulations are used to show that cyclic mechanical loading can relax the non-equilibrium grain boundary (GB) structures of nanocrystalline metals by dissipating energy andExpand
Molecular dynamics simulations of rate-dependent grain growth during the surface indentation of nanocrystalline nickel
Abstract Molecular dynamics simulations are leveraged in this study to explore rate-dependent grain growth and deformation in nanocrystalline nickel due to surface indentation at room temperature. AExpand