相关论文: Method for determining optimal supercell represent…
Pure gauge lattice QCD at arbitrary D is considered. Exact integration over link variables in an arbitrary D-volume leads naturally to an appearance of a set of surfaces filling the volume and gives an exact expression for functional of…
The properties of the interface in a phase-separated solution of polymers with different degrees of polymerization and Kuhn segment lengths are calculated. The starting point is the planar interface, the profile of which is calculated in…
The interface of a cholesteric liquid crystal with an isotropic fluid can display a range of unusual properties, such as a layer of topological defects close to an undulated interface. These properties have been know for a long time and…
We use confocal microscopy to study an equilibrated crystal-liquid interface in a colloidal suspension. Capillary waves roughen the surface, but locally the intrinsic interface is sharply defined. We use local measurements of the structure…
Protein function is executed at the molecular surface, where shape and chemistry act together to govern interaction. Yet most comparison methods treat these aspects separately, privileging either global fold or local descriptors and missing…
The local variation in inter-atomic distances, or local lattice strain often influences significantly material properties of nanoparticles. Strain measurement with ~1% precision is provided by recent atomic-resolution electron microscopy.…
We create an artificial graphene system with tunable interactions and study the crossover from metallic to Mott insulating regimes, both in isolated and coupled two-dimensional honeycomb layers. The artificial graphene consists of a…
Interfaces in materials are often treated as massless geometric boundaries, and many kinetic models adopt an overdamped assumption. In this Letter, we show that grain boundaries exhibit inertial behavior under high-frequency oscillatory…
Crystal phase engineering gives access to new types of superlattices where, rather than different materials, different crystal phases of the same material are juxtaposed. Here, by means of atomistic nonequilibrium molecular dynamics…
A plethora of two-dimensional (2D) materials entered the physics and engineering scene in the last two decades. Their robust, membrane-like sheet permit -- mostly require -- deposition, giving rise to solid-solid dry interfaces whose bodily…
Graphene on $L1_0$-FePd(001), which has been experimentally studied in recent years, is a heterogeneous interface with a significant lattice symmetry mismatch between the honeycomb structure of graphene and tetragonal alloy surface. In this…
The new model of phonon transmission across the interface between two crystals is proposed featured by taking into account the mismatch of crystal lattices. It has been found that the mismatch of lattices results in phonon scattering at the…
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 formulate a theoretical model of the shear failure of a thin film tethered to a rigid substrate. The interface between film and substrate is modeled as a cohesive layer with randomly fluctuating shear strength/fracture energy. We…
We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by…
By stacking various two-dimensional (2D) atomic crystals [1] on top of each other, it is possible to create multilayer heterostructures and devices with designed electronic properties [2-5]. However, various adsorbates become trapped…
Pathways and structural dynamics of phase transformations impact performance of materials in energy and information storage technologies. Palladium hydride ($\mathrm{PdH}_x$) nanocrystals are an ideal model system for studying…
We compute properties of the interface of the 3-dimensional Ising model for a wide range of temperatures, covering the whole region from the low temperature domain through the roughening transition to the bulk critical point. The interface…
Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordinates of the atoms, which are generally used to describe…
We compute properties of the interface of the 3-dimensional Ising model for a wide range of temperatures and for interface extensions up to 64 by 64. The interface tension sigma is obtained by integrating the surface energy density over the…