Related papers: The Amorphous-Crystal Interface in Silicon: a Tigh…
So far the problem of interface behavior upon phase transition has not yet acquired a satisfactory mathematical formulation due to a variety of the physical phenomena involved. Analytical solutions exist only for elementary problems…
Silicon dioxide and silicon (SiO$_{2}$/Si) interface plays a very important role in semiconductor industry. However, at nanoscale, its interfacial thermal properties haven't been well understood so far. In this paper, we systematically…
Friction dissipates a substantial portion of global energy, motivating the pursuit of superlubricity, a state of near-zero friction, in real-world systems. Conventional approaches rely on crystalline lattice mismatch to suppress periodic…
Using molecular dynamics simulations we study the thermodynamic behavior of a single-component covalent material described by the recently proposed Environment-Dependent Interatomic Potential (EDIP). The parameterization of EDIP for silicon…
Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic…
Interfaces such as grain boundaries in polycrystalline as well as heterointerfaces in multiphase solids are ubiquitous in materials science and engineering. Far from being featureless dividing surfaces between neighboring crystals,…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
The multidimensional topography of the collective potential energy function of a so-called strong glass former (silica) is analyzed by means of classical molecular dynamics calculations. Features qualitatively similar to those of fragile…
The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible…
We consider the equilibrium statistical properties of interfaces submitted to competing interactions; a long-range repulsive Coulomb interaction inherent to the charged interface and a short-range, anisotropic, attractive one due to either…
Topological crystalline insulators are phases of matter where the crystalline symmetries solely protect the topology. In this work, we explore the effect of many-body interactions in a subclass of topological crystalline insulators, namely…
Cross-sectional transmission electron microscopy (TEM) is used to characterize an amorphous layer observed at the interface in graphite and graphene films grown via thermal decomposition of C-face 4H-SiC. The amorphous layer does not to…
A rough interface seems to be one of the possible reasons for low channel mobility (conductivity) in SiC MOSFETs. To evaluate the mobility by interface roughness, we drew a boundary line between amorphous insulator and crystalline 4H-SiC in…
The $\alpha/\beta$ interface is central to the microstructure and mechanical properties of titanium alloys. We investigate the structure, thermodynamics and migration of the coherent and semicoherent Ti $\alpha/\beta$ interfaces as a…
Solid-phase epitaxial crystallization of amorphous Si layers on a crystalline Si substrate during B-ion irradiation is investigated over the temperature range 293 - 573 K. Regrowth occurs at all measured temperatures, with activation energy…
An overview on recent developments in thermal interfaces is given with a focus on a novel thermal interface technology that allows the formation of 2-3 times thinner bondlines with strongly improved thermal properties at lower assembly…
We study the dynamical behavior of a one dimensional interface interacting with a sticky unpenetrable substrate or wall. The interface is subject to two effects going in opposite directions. Contact between the interface and the substrate…
Several model fluids in contact with planar, spherical, and cylindrical walls are investigated for small number densities within density functional theory. The dependence of the solid-fluid interfacial tension on the curvature of spherical…
In this paper we discuss the application of current it ab initio computer simulation techniques to hydrogenated amorphous silicon (a-Si:H). We begin by discussing thermal fluctuation in the number of coordination defects in the material,…
We report a study on the interface between polar high-k materials and the Si(001)-(2X1) reconstructed surface with LaAlO3 taken as a prototype material. The construction of the interface is based on the prior growth of metal lines followed…