相关论文: Anomalous Strength Characteristics of Tilt Grain B…

Graphene's exceptional mechanical properties, including its highest-known stiffness (1 TPa) and strength (100 GPa) have been exploited for various structural applications. However, graphene is also known to be quite brittle, with…

We present the results of first-principles calculations of selected structural and thermodynamic properties of a set of grain boundaries (GBs) in zirconium, spanning a range of misorientation angles and boundary planes. We performed…

Cohesive laws are stress-strain curves used in finite element calculations to describe the debonding of interfaces such as grain boundaries. It would be convenient to describe grain boundary cohesive laws as a function of the parameters…

In this work we have investigated the mechanical properties and fracture patterns of some graphene nanowiggles (GNWs). Graphene nanoribbons are finite graphene segments with a large aspect ratio, while GNWs are nonaligned periodic…

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…

We have systematically investigated the grain boundary (GB) angle dependence of transport properties for NdFeAs(O,F) fabricated on [001]-tilt symmetric MgO bicrystal substrates. In our previous study, NdFeAs(O,F) bicrystal films showed a…

We identify a finite wavenumber instability of a 90$^{\circ}$ tilt grain boundary in three dimensional lamellar phases which is absent in two dimensional configurations. Both a stability analysis of the slowly varying amplitude or envelope…

As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…

We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the environment by means of density functional theory.…

Grain boundaries often exhibit ordered atomic structures. Increasing amounts of evidence have been provided by transmission electron microscopy and atomistic computer simulations that different stable and metastable grain boundary…

We study numerically and analytically the coarsening of stripe phases in two spatial dimensions, and show that transient configurations do not achieve long ranged orientational order but rather evolve into glassy configurations with very…

In two-dimensional van der Waals (vdWs) materials, the relative twist angle between adjacent layers not only controls their electronic properties, but also determines their stacking energy. This effect makes it much easier to realize…

Graphene-based papers attract particular interests recently owing to their outstanding properties, the key of which is their layer-by-layer hierarchical structures similar to the biomaterials such as bone, teeth and nacre, combining…

Grain boundaries in ultrafine grained (UFG) materials processed by severe plastic deformation (SPD) are often called "non-equilibrium" grain boundaries. Such boundaries are characterized by excess grain boundary energy, presence of long…

We present systematic thermal conductivity measurements of suspended thin graphite ribbons, 234-527 nm thick, using a four-probe 3-omega method. Unlike recent reports of phonon hydrodynamics and exceptionally high thermal conductivity in…

We present a systematic trend study of the symmetric tilt grain boundaries about the <110> axis in molybdenum. Our results show that multiple structural phases, some incorporating vacancies, compete for the boundary ground state. We find…

Orientation effects on the resistivity of copper grain boundaries are studied systematically with two different atomistic tight binding methods. A methodology is developed to model the resistivity of grain boundaries using the Embedded Atom…

We utilize classical molecular dynamics to study the the quality (Q)-factors of monolayer CVD-grown graphene nanoresonators. In particular, we focus on the effects of intrinsic grain boundaries of different orientations, which result from…

Using an optimized bridge geometry we have been able to make accurate measurements of the properties of YBa2Cu3O7-delta grain boundaries above Tc. The results show a strong dependence of the change of resistance with temperature on grain…

The grain boundary (GB) energy is a quantity of fundamental importance for understanding several key properties of graphene. Here we present a comprehensive theoretical and numerical study of the entire space of symmetric and asymmetric…