Related papers: Parameterizing Intersecting Surfaces via Invariant…
We analyze geometrical structures necessary to represent bulk and surface interactions of standard and substructural nature in complex bodies. Our attention is mainly focused on the influence of diffuse interfaces on sharp discontinuity…
We use a Convolutional Recurrent Neural Network approach to learn morphological evolution driven by surface diffusion. To this aim we first produce a training set using phase field simulations. Intentionally, we insert in such a set only…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
A model for studying the ultrametricity of the energy landscape in a disordered heteropolymer is presented. It is treated as a simplified model of a protein molecule in which amino acid residues are modeled as point masses. Pairwise…
Metasurfaces represent one of the most vibrant fields of modern science and technology. A metasurface is a complex electromagnetic structure, that is typically deeply subwavelength in thickness, electrically large in transverse size and…
A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. By rigorous asymptotic analysis we show that the sharp-interface limit of this model recovers the continuum model equations for the…
We developed a micromagnetic method for modeling magnetic systems with periodic boundary conditions along an arbitrary number of dimensions. The main feature is an adaptation of the Ewald summation technique for evaluation of long-range…
Solid-liquid interfaces are at the heart of many modern-day technologies and provide a challenge to many materials simulation methods. A realistic first-principles computational study of such systems entails the inclusion of solvent…
The present manuscript summarizes the modern view on the problem of the graphene-metal interaction. Presently, the close-packed surfaces of d metals are used as templates for the preparation of highly-ordered graphene layers. Different…
Surface reconstruction is a fundamental problem in 3D graphics. In this paper, we propose a learning-based approach for implicit surface reconstruction from raw point clouds without normals. Our method is inspired by Gauss Lemma in…
Symbolic Regression (SR) enables the discovery of interpretable mathematical relationships from experimental and simulation data. These relationships are often coined descriptors which are defined as a fundamental materials property that is…
Polymer-surface interactions are crucial to many biological processes and industrial applications. Here we propose a machine-learning method to connect a model polymer's sequence with its adhesion to decorated surfaces. We simulate the…
Over the past twenty years, the field of plasmonics has been revolutionized with the isolation and utilization of two--dimensional materials, particularly graphene. Consequently there is significant interest in rapid, robust, and highly…
In crystal growth, surfactants are additive molecules used in dilute amount or as dense, permeable layers to control surface morphologies. Here, we investigate the properties of a strikingly different surfactant: a two-dimensional and…
Interfacial energy plays an important role in equilibrium morphologies of nanosized microstructures of solid materials due to the high interface-to-volume ratio, and can no longer be neglected as it does in conventional mechanics analysis.…
We devise a supersymmetry-based method for the construction of zero-energy states in graphene. Our method is applied to a two-dimensional massless Dirac equation with a hyperbolic scalar potential. We determine supersymmetric partners of…
Deep implicit surfaces excel at modeling generic shapes but do not always capture the regularities present in manufactured objects, which is something simple geometric primitives are particularly good at. In this paper, we propose a…
On the basis of first-principles calculations, we report that a novel interfacial atomic structure occurs between graphene and the surface of silicon carbide, destroying the Dirac point of graphene and opening a substantial energy gap…
For a $d$-dimensional hypersurface of class $C^3$ without boundary, we reformulate the surface Stokes equations as a nonsymmetric indefinite elliptic problem governed by two Laplacians. We then use this elliptic reformulation as a basis for…
Surface parametrization is a crucial part in various fields, having applications in computer graphic, medical imaging, scientific computing and computational engineering. The majority of surface parametrization approaches are performed on…