Related papers: Grain boundary effects on electronic transport in …
Interface-dominated materials such as nanocrystalline thin films have emerged as an enthralling class of materials able to engineer functional properties of transition metal oxides widely used in energy and information technologies. In…
Electron transport in thin metallic wires and films is strongly influenced by the quality of their surface. Weak localization and magnetoconductivity are also sensitive to the electron scattering at the edges of the sample. We study weak…
Graphene grain boundaries are known to affect phonon transport and thermal conductivity, suggesting that they may be used to engineer the phononic properties of graphene. Here, the effect of two buckled grain boundaries on long-wavelength…
We develop a theory of superconductivity in ultrasmall (nm-scale) metallic grains having a discrete electronic eigenspectrum with a mean level spacing of order of the bulk gap. The theory is based on calculating the eigenspectrum using a…
We present a novel phase-field approach for investigating solute segregation in a moving grain boundary. In our model, the correct choice of various parameters can control the solute-grain boundary interaction potential, resulting in…
We perform a MonteCarlo simulation in order to study the connection between the morphology and the transport properties of grain boundaries (GBs) in graphene. We explore the configurational space of GBs to generate ensembles of realistic…
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…
Grain-boundary (GB) dynamics control the stability, mechanical, and functional response of nanocrystalline materials, but direct experimental access to their slow non-equilibrium motion has been limited. Here we establish X-ray photon…
A detailed theoretical and numerical investigation of the infinitesimal single-crystal gradient plasticity and grain-boundary theory of Gurtin (2008) "A theory of grain boundaries that accounts automatically for grain misorientation and…
Mg alloys are promising lightweight structural materials due to their low density and excellent mechanical properties. However, their limited formability and ductility necessitate improvements in these properties, specifically through…
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…
A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness…
Topological defects can affect the physical properties of graphene in unexpected ways. Harnessing their influence may lead to enhanced control of both material strength and electrical properties. Here we present a new class of topological…
Grain boundaries are topological defects that often have a disordered character. Disorder implies that understanding general trends is more important than accurate investigations of individual grain boundaries. Here we present trends in the…
We propose a two dimensional frame-invariant phase field model of grain impingement and coarsening. One dimensional analytical solutions for a stable grain boundary in a bicrystal are obtained, and equilibrium energies are computed. We are…
Grain boundary roughness can affect electronic and mechanical properties of two-dimensional materials. This roughness depends crucially on the growth process by which the two-dimensional material is formed. To investigate the key mechanisms…
Interfacial segregation and chemical short-range ordering influence the behavior of grain boundaries in complex concentrated alloys. In this study, we use atomistic modeling of a NbMoTaW refractory complex concentrated alloy to provide…
The single electron Green's function of the one-dimensional Tomonaga-Luttinger model in the presence of open boundaries is calculated with bosonization methods. We show that the critical exponents of the local spectral density and of the…
It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the…
We study the influence of different edge types on the electronic density of states of graphene nanostructures. To this end we develop an exact expansion for the single particle Green's function of ballistic graphene structures in terms of…