Grain boundaries are Brownian ratchets

C Qiu, M Punke, Y Tian, Y Han, S Wang, Y Su… - Science, 2024 - science.org
We demonstrate that grain boundaries (GBs) behave as Brownian ratchets, exhibiting
direction-dependent mobilities and unidirectional motion under oscillatory driving forces or …

Atomistic-Scale Simulations on Grain Boundary Migration Mechanisms Involved in Metals and Alloys: A Critical Review

NK Rawat, N Jain, AK Mishra, A Verma - Archives of Computational …, 2024 - Springer
The mechanical properties of a material are affected by the kinetics and thermodynamics of
the grain boundaries (GBs) present in their domain. Various research works, both …

Nanotwin stability in alloyed copper under ambient and cryo-temperature dependent deformation states

J Robinson, A Verma, ER Homer… - Materials Science and …, 2023 - Elsevier
Nanometer size grains, solid solution strengthening, low temperatures, and a high density of
nanotwins can provide significant strengthening to a material. Nevertheless, under loading …

Understanding grain boundaries–The role of crystallography, structural descriptors and machine learning

S Patala - Computational Materials Science, 2019 - Elsevier
Grain boundaries (GBs) influence a wide array of physical properties in polycrystalline
materials and play an important role in governing microstructural evolution under extreme …

A classical equation that accounts for observations of non-Arrhenius and cryogenic grain boundary migration

ER Homer, OK Johnson, D Britton… - npj Computational …, 2022 - nature.com
Observations of microstructural coarsening at cryogenic temperatures, as well as numerous
simulations of grain boundary motion that show faster migration at low temperature than at …

Solute influence in transitions from non-Arrhenius to stick-slip Arrhenius grain boundary migration

A Verma, OK Johnson, GB Thompson, S Ogata… - Acta Materialia, 2024 - Elsevier
Synthetic driving force based molecular dynamics simulations are used to evaluate the grain
boundary velocities for an incoherent Σ3 [111] 60°{11 8 5} GB in elemental nickel and its …

Simulated migration behavior of metastable Σ3 (11 8 5) incoherent twin grain boundaries

ER Homer, A Verma, D Britton… - IOP conference …, 2022 - iopscience.iop.org
Molecular dynamics simulations are used to examine the migration behavior of one
incoherent twin, a Σ3 (11 8 5)/(8 11 5) grain boundary. The boundary is known to exhibit non …

Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ= 5 grain boundary in Fe

DL Medlin, K Hattar, JA Zimmerman, F Abdeljawad… - Acta Materialia, 2017 - Elsevier
Grain boundaries often develop faceted morphologies in systems for which the interfacial
free energy depends on the boundary inclination. Although the mesoscale thermodynamic …

Anti-thermal mobility in the Σ3 [111] 60°{11 8 5} grain boundary in nickel: mechanism and computational considerations

J Humberson, EA Holm - Scripta Materialia, 2017 - Elsevier
Synthetic driving force molecular dynamics simulations were performed to examine anti-
thermal mobility in the incoherent Σ3 [111] 60°{11 8 5} grain boundary in a model FCC …

A taxonomy of grain boundary migration mechanisms via displacement texture characterization

I Chesser, B Runnels, E Holm - Acta Materialia, 2022 - Elsevier
Atomistic simulations provide the most detailed picture of grain boundary (GB) migration
currently available. Nevertheless, extracting unit mechanisms from atomistic simulation data …