Related papers: Structure-preserving parametric finite element met…
In this paper, we study the geometry of reduced density matrices for states with symmetry-protected topological (SPT) order. We observe ruled surface structures on the boundary of the convex set of low dimension projections of the reduced…
Classical molecular-dynamics simulations have been carried out to investigate densification mechanisms in silicon dioxide thin films deposited on an amorphous silica surface, according to a simplified ion-beam assisted deposition (IBAD)…
A partially-wetting liquid can deform the underlying elastic substrate upon which it rests. This situation requires the development of theoretical models to describe the wetting forces imparted by the drop onto the solid substrate,…
Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose…
The accurate, reliable and efficient numerical approximation of multi-physics processes in heterogeneous porous media with varying media coefficients that include fluid flow and structure interactions is of fundamental importance in energy,…
We investigate connections between the continuum and atomistic descriptions of deformable crystals, using certain interesting results from number theory. The energy of a deformed crystal is calculated in the context of a lattice model with…
We study the evolution of solidification microstructures using a phase-field model computed on an adaptive, finite element grid. We discuss the details of our algorithm and show that it greatly reduces the computational cost of solving the…
Innovative numerical scheme studied in this work enables to overcome two main limitations of Building Performance Simulation (BPS) programs as high computational cost and the choice of a very fine numerical grid. The method, called…
We study the equilibrium of a liquid film on an attractive spherical substrate for an intermolecular interaction model exhibiting both fluid-fluid and fluid-wall long-range forces. We first reexamine the wetting properties of the model in…
Theoretical concepts in condensed matter physics are typically verified and also developed by exploiting computer simulations mostly in simple models. Predictions based on these usually isotropic models are often at odds with measurement…
This paper presents a novel post-processing methodology for extracting high-quality geometries from density-based topology optimization results. Current post-processing approaches often struggle to simultaneously achieve smooth boundaries,…
Pattern formation induced by wrinkling is a very common phenomenon exhibited in soft-matter substrates. In all these systems wrinkles develop in presence of compressively stressed thin films lying on compliant substrates. Here we…
This paper deals with the numerical study of a nonlinear, strongly anisotropic heat equation. The use of standard schemes in this situation leads to poor results, due to the high anisotropy. An Asymptotic-Preserving method is introduced in…
A more accurate, stable, finite-difference time-domain (FDTD) algorithm is developed for simulating Maxwell's equations with isotropic or anisotropic dielectric materials. This algorithm is in many cases more accurate than previous…
Faceted shapes, such as polyhedra, are commonly found in systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystal nucleation and growth, vacancy motion, and glassy dynamics are challenging…
We present a novel shape-approximating anisotropic re-meshing algorithm as a geometric generalization of the adaptive moving mesh method. Conventional moving mesh methods reduce the interpolation error of a mesh that discretizes a given…
We provide novel random surface density functional theory (RSDFT) formulation in the case of geometric heterogeneous surface of solid media which is essential for description of thermodynamic properties of confined fluids. The major…
We present some recent developments on shock capturing methods for nonlinear hyperbolic systems of balance laws, whose prototype is the Euler system of compressible fluid flows, and especially discuss {structure-preserving} techniques. The…
We demonstrate a method for filtering images defined on curved surfaces embedded in 3D. Applications are noise removal and the creation of artistic effects. Our approach relies on in-surface diffusion: we formulate Weickert's edge/coherence…
This paper presents a novel structure-preserving scheme for Euler equations, focusing on the numerical conservation of entropy and kinetic energy. Explicit flux functions engineered to conserve entropy are introduced within the…