相关论文: A Novel Analysis Framework for Microstructural Cha…
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 cyclically strained at different temperatures, while a…
In this study, the effect of ferrite grain size on the mechanical properties and dislocation behavior of dual-phase (DP) steel is investigated using dislocation-based crystal plasticity finite element analysis. DP steel, composed of a soft…
The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…
A model consisting of random interacting anti-ferromagnetic (AF) grains coupled to a ferromagnetic (FM) layer is developed to study the exchange bias phenomenon. This simple model is able to describe several exchange bias behavior observed…
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,…
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO$_2$) as an example. Low free energy phases at various pressures and temperatures are…
Ultrafine-grained aluminum alloys offer interesting multifunctional properties with a combination of high strength, low electrical resistivity, and low density. However, due to thermally induced grain coarsening, they typically suffer from…
The recent advancements in electronics manufacturing has necessitated the demand for miniaturization of electronic components. In particular, the product sizes for passive components have evolved from 1005 (1.0x0.5mm) which is roughly the…
A framework based on FFT is proposed for micromechanical fatigue modeling of polycrystals as alternative to the Finite Element method (FEM). The variational FFT approach is used with a crystal plasticity model for the cyclic behavior of the…
A simulation-based study of variability of remnant polarization $\left (P_r \right)$ in a multi-granular 3-D ultra-thin ferroelectric (FE) capacitor is presented in this paper. The Poisson Voronoi Tessellation Diagram (PVD) is used for the…
Electric fields and currents, which are used in innovative materials processing and electrochemical energy conversion, can often alter microstructures in unexpected ways. However, little is known about the underlying mechanisms. Using…
Predicting microstructure evolution during thermomechanical treatment is essential for determining the final mechanical properties of a material, yet conventional simulations based on Partial Differential Equations (PDEs) remain…
Specimen- and grain-size effects on nanoscale plastic deformation mechanisms and mechanical properties of polycrystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars are studied by molecular dynamics simulations. Through…
We present a comprehensive first principles study of doped hafnia in order to understand the formation of the ferroelectric orthorhombic [001] grains. Assuming that tetragonal grains are present during the early stages of growth, matching…
We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…
The effect of grain size on the flow strength of FCC polycrystals was analyzed by means of computational homogenization. The mechanical behavior of each grain was dictated by a dislocation-based crystal plasticity model in the context of…
We report a study on a series of lanthanum doped barium stannate-titanate (LBTS) ceramics towards correlating their microstructure with ferroelectric properties. The samples were prepared by solid state reaction technique and the XRD…
Electric Scanning Probe Microscopies are used to characterize the surface behavior of ferroelectric materials. The effects of local charge density on the chemistry and physics of ferroelectric surfaces are investigated. The kinetics and…
Dielectric response e*(f,T) and polar phonon spectra of coarse grain (grain size ~ 4 mkm) and fine grain (grain size ~ 150 nm) ceramics of PbMg_(1/3)Nb_(2/3)O3-35%PbTiO3 were investigated at temperatures 10 - 900 K. e*(f,T) in coarse-grain…
Nanocrystalline metals with average grain sizes of only a few nanometers have recently been observed to fail through the formation of shear bands. Here, we investigate this phenomenon in nanocrystalline Ni which has had its grain structure…