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The Marginally Rigid State is a candidate paradigm for what makes granular material a state of matter distinct from both liquid and solid. Coordination number is identified as a discriminating characteristic, and for rough-surfaced…

Statistical Mechanics · Physics 2007-05-23 R. C. Ball , R. Blumenfeld

Grain growth in nanocrystalline Al was studied by means of molecular dynamics simulations. The novelty of this study results from the utilization of an algorithm to resolve per-grain kinetics and orientation change from molecular dynamics…

Materials Science · Physics 2016-12-30 Paul W. Hoffrogge , Luis A. Barrales-Mora

We present a new model of surface transport in premelted films that is applicable to a wide range of materials close to their melting point. We illustrate its use by applying it to the evolution of a grain boundary groove in a high vapour…

Fluid Dynamics · Physics 2012-01-13 Robert W. Style , M. Grae Worster

The ballistic deposition on a one dimensional substrate of grains with one degree of freedom, called spin, is studied with respect to relaxation processes during deposition. The "spin" represents the grain anisotropy, e.g. its longest axis…

Statistical Mechanics · Physics 2012-10-03 Kamil Trojan , Marcel Ausloos

Nanocrystalline metals typically have high fatigue strengths, but low resistance to crack propagation. Amorphous intergranular films are disordered grain boundary complexions that have been shown to delay crack nucleation and slow crack…

We present the formulation for finding the distribution of eigenstrains, i.e. the sources of residual stress, from a set of measurements of residual elastic strain (e.g. by diffraction), or residual stress, or stress redistribution, or…

Materials Science · Physics 2007-05-23 Alexander M. Korsunsky , Gabriel M. Regino , David Nowell

Local chemical ordering strongly influences the behavior of complex concentrated alloys, yet its characterization remains challenging due to the nanoscale dimensions and scattered spatial distribution of the ordered domains. Here, we study…

Materials Science · Physics 2026-02-10 Ian Geiger , Yuan Tian , Ying Han , Yutong Bi , Xiaoqing Pan , Penghui Cao , Timothy J. Rupert

Faceted grain boundaries exhibit unusual segregation and migration tendencies. To gain a deeper understanding of how solute atoms interact with faceted interfacial structures during migration, this study probes the migration behavior of a…

Materials Science · Physics 2020-11-20 Megan J. McCarthy , Timothy J. Rupert

We examine the interaction between precipitates and grain boundaries, which undergo shear-coupled motion. The elastic problem, emerging from grain boundary perturbations and an elastic mismatch strain induced by the precipitates, is…

Materials Science · Physics 2019-08-14 Marc Weikamp , Robert Spatschek

We report the reduction in residual stress of AlN thin films and also the crystal structure, surface morphology and nanomechanical properties of magnetron sputtered as a function of substrate temperature (Ts, 35 - 600 ?C). The residual…

Materials Science · Physics 2017-07-25 Padmalochan Panda , R. Ramaseshan , N Ravi , G. Mangamma , Feby Jose , S. Dash , K. Suzuki , H. Suematsu

Interfacial segregation can stabilize grain structures and even lead to grain boundary complexion transitions. However, understanding of the complexity of such phenomena in polycrystalline materials is limited, as most studies focus on…

Materials Science · Physics 2021-07-02 P Garg , Z Pan , V Turlo , TJ Rupert

Grain boundary tracer diffusion of Ni, Fe and Cr was studied in a Ni-base 602CA coarse-grained alloy. A co-existence of several short-circuit contributions was distinguished at higher temperatures in Harrison's B-type regime (773-873 K),…

A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a…

Materials Science · Physics 2016-05-10 R. Bjørk , H. L. Frandsen , N. Pryds

We investigate the diffusion of a grain boundary in a crystalline material. We consider in particular the case of a regularly spaced low-angle grain boundary schematized as an array of dislocations that interact with each other through…

Statistical Mechanics · Physics 2007-12-22 F. Leoni , S. Zapperi

We consider the grain growth and stagnation in polycrystalline microstructures. From the phase field crystal modelling of the coarsening dynamics, we identify a transition from a grain-growth stagnation upon deep quenching below the melting…

Materials Science · Physics 2013-09-20 Mathias Bjerre , Jens Magelund Tarp , Luiza Angheluta , Joachim Mathiesen

It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the…

A systematic investigation is presented of grain boundaries and grain boundary networks in two dimensional flexible membranes with crystalline order. An isolated grain boundary undergoes a buckling transition at a critical value of the…

Condensed Matter · Physics 2009-10-22 Carlo Carraro , David R. Nelson

Components manufactured via Wire + Arc Additive Manufacturing are usually characterised by large columnar grains. This can be mitigated by introducing in-process cold-rolling; in fact, the associated local plastic deformation leads to a…

Applied Physics · Physics 2019-03-27 G. Marinelli , F. Martina , S. Ganguly , S. Williams

We extend our earlier shear-transformation-zone (STZ) theory of amorphous plasticity to include the effects of thermally assisted molecular rearrangements. This version of our theory is a substantial revision and generalization of…

Materials Science · Physics 2009-11-10 M. L. Falk , J. S. Langer , L. Pechenik

Damage nucleation from repeated dislocation absorption at a grain boundary is simulated with molecular dynamics. At the grain boundary-dislocation intersection site, atomic shuffling events determine how the free volume brought by the…

Materials Science · Physics 2014-08-26 Zhiliang Pan , Timothy J. Rupert