skip to main content

Attention:

The NSF Public Access Repository (NSF-PAR) system and access will be unavailable from 11:00 PM ET on Friday, September 13 until 2:00 AM ET on Saturday, September 14 due to maintenance. We apologize for the inconvenience.


Title: Grain Boundary Migration in Polycrystals

Grain boundaries in polycrystalline materials migrate to reduce the total excess energy. It has recently been found that the factors governing migration rates of boundaries in bicrystals are insufficient to explain boundary migration in polycrystals. We first review our current understanding of the atomistic mechanisms of grain boundary migration based on simulations and high-resolution transmission electron microscopy observations. We then review our current understanding at the continuum scale based on simulations and observations using high-energy diffraction microscopy. We conclude that detailed comparisons of experimental observations with atomistic simulations of migration in polycrystals (rather than bicrystals) are required to better understand the mechanisms of grain boundary migration, that the driving force for grain boundary migration in polycrystals must include factors other than curvature, and that current simulations of grain growth are insufficient for reproducing experimental observations, possibly because of an inadequate representation of the driving force.

 
more » « less
Award ID(s):
2118945
NSF-PAR ID:
10473477
Author(s) / Creator(s):
; ; ; ; ; ;
Publisher / Repository:
https://www.annualreviews.org
Date Published:
Journal Name:
Annual Review of Materials Research
Volume:
53
Issue:
1
ISSN:
1531-7331
Page Range / eLocation ID:
347 to 369
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract

    To study discontinuous precipitation, which is an important method for strengthening materials, we observed the nucleation and growth of discontinuous precipitates in Cu–Ag alloys using electron backscatter diffraction and scanning transmission electron microscopy. We found that discontinuous precipitation always started with Ag precipitates, which nucleated on Cu grain boundaries. These precipitates then each took the shape of a large, abutted cone that shared a semi-coherent interface with one of the Cu grains, topped by a small spherical cap that shared an incoherent interface with the Cu grain on the opposite side of the boundary. This formation created a difference between the levels of interface energy on each side of boundary. We assume that this difference and boundary curvature together generates the driving force necessary to push grain boundary migration, thus triggering discontinuous precipitation. Because of grain boundary migration, Ag solute was consumed at one side of the grain, which causes a solute difference. The difference produces mainly driving force, pushing the boundaries to migrate forward.

     
    more » « less
  2. Abstract

    The role of anisotropic grain boundary energy in grain growth is investigated using textured microstructures that contain a high proportion of special grain boundaries. Textured and untextured Ca‐doped alumina was prepared by slip casting inside and outside a high magnetic field, respectively. At 1600°C, the textured microstructure exhibits faster growth than the untextured microstructure and its population of low‐angle boundaries increases. Atomic force microscopy (AFM) is employed to measure the geometry of thermal grooves to assess the relative grain boundary energy of these systems before and after growth. In the textured microstructure, the grain boundary energy distribution narrows and shifts to a lower average energy. Conversely, the energy distribution broadens for the untextured microstructure as it grows and exhibits abnormal grain growth. Further analysis of the boundary networks neighboring abnormal grains reveals an energy incentive that facilitates their growth. These results suggest that coarsening is not the only dominant grain growth mechanism and that the system can lower its energy effectively by replacing high energy boundaries with those of low energy. The faster growth of lower energy boundaries suggests that isotropic simulations do not adequately account for anisotropic grain growth mechanisms or anisotropic mobility.

     
    more » « less
  3. Refractory multi-principal element alloys exhibiting promising mechanical properties such as excellent strength retention at elevated temperatures have been attracting increasing attention. Although their inherent chemical complexity is considered a defining feature, a challenge arises in predicting local chemical ordering, particularly in grain boundary regions with an enhanced structural disorder. In this study, we use atomistic simulations of a large group of bicrystal models to sample a wide variety of interfacial sites (grain boundary) in NbMoTaW and explore emergent trends in interfacial segregation and the underlying structural and chemical driving factors. Sampling hundreds of bicrystals along the [001] symmetric tilt axis and analyzing more than one hundred and thirty thousand grain boundary sites with a variety of local atomic environments, we uncover segregation trends in NbMoTaW. While Nb is the dominant segregant, more notable are the segregation patterns that deviate from expected behavior and mark situations where local structural and chemical driving forces lead to interesting segregation events. For example, incomplete depletion of Ta in low-angle boundaries results from chemical pinning due to favorable local compositional environments associated with chemical short-range ordering. Finally, machine learning models capturing and comparing the structural and chemical features of interfacial sites are developed to weigh their relative importance and contributions to segregation tendency, revealing a significant increase in predictive capability when including local chemical information. Overall, this work, highlighting the complex interplay between the local grain boundary structure and chemical short-range ordering, suggests tunable segregation and chemical ordering by tailoring grain boundary structure in multi-principal element alloys. 
    more » « less
  4. Abstract

    Grain boundary solute segregation influences most bulk material properties, and understanding solute thermodynamics at grain boundaries is critical for engineering them. However, the vast grain boundary space in polycrystals is challenging to evaluate due to its size, especially for the intrinsically hard-to-compute segregation excess entropy. Here data science methods are used to generate a database of site-wise grain boundary segregation entropy spectra for 155 dilute binary alloys within the harmonic approximation. The spectral framework allows scale bridging between the calculated atomistic site-wise energy-entropy spectra and macroscopic segregation entropy estimates. The results affirm that macroscopic averaging is not sufficient: a spectral treatment of grain boundary segregation is needed to accurately model bulk temperature dependence of grain boundary solute segregation. The calculated spectral entropy database and thermodynamic framework can be applied for both understanding segregation experiments and alloy design exercises, paving the way to a finite-temperature grain boundary genome.

     
    more » « less
  5. Abstract

    By mapping grain orientations on parallel serial sections of a SrTiO3ceramic, it was possible to reconstruct three‐dimensional orientation maps containing more than 3000 grains. The grain boundaries were approximated by a continuous mesh of triangles and mean curvatures were determined for each triangle. The integral mean curvatures of grain faces were determined for all grains. Small grains with fewer than 16 neighbors mostly have positive mean curvatures while larger grains with more than 16 neighbors mostly have negative mean curvatures. It is also possible to correlate the mean curvature of individual triangles with the crystallographic characteristics of the grain boundary. The mean curvature is lowest for grain boundaries with (100) orientations and highest for grain boundaries with (111) orientations. This trend is inversely correlated to the relative areas of grain boundaries and directly correlated to the relative grain boundary energy. The direct correlation between the energy and curvature is consistent with the expected behavior of grain boundaries made up of singular orientations. Furthermore, because both the relative energy and curvature of grain boundaries with (100) orientations are minima in the distributions, these boundaries also have the lowest driving force for migration.

     
    more » « less