Related papers: Grain-resolved kinetics and rotation during grain …
The unfolding of molecular complexes or biomolecules under the influence of external mechanical forces can routinely be simulated with atomistic resolution. To obtain a match of the characteristic time scales with those of experimental…
Polycrystalline materials can be viewed as composites of crystalline particles or grains separated from one another by thin amorphous grain boundary (GB) regions. While GB have been exhaustively investigated at low temperatures, where these…
Nanostructures have the immense potential to supplant the traditional metallic structure as they show enhanced mechanical properties through strain hardening. In this paper, the effect of grain size on the hardening mechanism of Al-Cu…
Elastoplastic properties of nanocrystalline metals are non-uniform on the scale of the grain size, and this non-uniformity affects macroscopic quantities as, in these systems, a significant part of the material is at or adjacent to a grain…
Accurate modeling of polycrystalline microstructure evolution under strong crystallographic heterogeneities remains a major challenge for full-field numerical methods at the mesoscopic scale. In this work, we present a high-fidelity…
Stochastic dynamics, such as molecular dynamics, are important in many scientific applications. However, summarizing and analyzing the results of such simulations is often challenging, due to the high dimension in which simulations are…
This study proposes a new analytical model for grain boundary pinning by second phase particles in two-dimensional polycrystals. This approach not only considers how particles impede grain growth, but also elucidates their role in…
High-throughput grain mapping with sub-nanometer spatial resolution is demonstrated using scanning nanobeam electron diffraction (also known as 4D scanning transmission electron microscopy, or 4D-STEM) combined with high-speed direct…
Thermomechanical processing such as annealing is one of the main methods to tailor the mechanical properties of materials, however, much is unknown about the reorganization of dislocation structures deep inside macroscopic crystals that…
Multiscale molecular modeling is widely applied in scientific research of molecular properties over large time and length scales. Two specific challenges are commonly present in multiscale modeling, provided that information between the…
Crystalline or polycrystalline systems governed by odd elastic responses are known to exhibit complex dynamical behaviors involving self-propelled dynamics of topological defects with spontaneous self-rotation of chiral crystallites.…
The evolution of occupied volume under progressive fragmentation of granular matter is studied using a purely geometric model. Rather than modelling disorder directly, properties are investigated by analysing highly ordered reference…
While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper…
High-energy synchrotron x-rays are used to track grain rotations and the micromechanical evolution of a hexagonal Ti-7Al microstructure as it is cyclically loaded below its macroscopic yield stress. The evolution of the grains through 200…
This study investigates the boundary migration mechanisms near the sample surface of recrystallizing grains in high-purity Al subjected to cryogenic rolling. Local strain and stress tensors were characterized during \textit{in situ}…
We develop a coarse grained (CG) approach for efficiently simulating calcium dynamics in the endoplasmic reticulum membrane based on a fine stochastic lattice gas model. By grouping neighboring microscopic sites together into CG cells and…
Angular resolved measurements of the exchange bias field and the coercive field are a powerful tool to distinguish between different competing magnetic anisotropies in polycrystalline exchange bias layer systems. No simple analytical model…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
Grain boundary energies in different elements are correlated. The proportional scaling constants relating the energies of crystallography-equivalent boundaries in any two f.c.c. elements are nearly constant, with the notable exception of…
Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom method (MEAM) potentials. The natural spontaneous homogenous…