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We study a variant of the variational model for the quasi-static growth of brittle fractures proposed by Francfort and Marigo. The main feature of our model is that, in the discrete-time formulation, in each step we do not consider absolute…
Justification of tight-binding model from Schroedinger formalism for various topologies of position-based semiconductor qubits is presented in this work. Simplistic tight-binding model allows for description of single-electron devices at…
The phase-field model for fracture, despite its popularity and ease of implementation comes with its set of computational challenges. They are the non-convex energy functional, variational inequality due to fracture irreversibility, the…
A data-driven surrogate framework to accelerate particle-resolved modelling of quasi-dilute suspensions of rigid, non-spherical particles in Stokes flow is introduced. A regularized-Stokeslet boundary element method (BEM) is implemented to…
Motivated by recent experiments, which give strong evidence for an excitonic insulating phase in $\rm TmSe_{0.45}Te_{0.55}$, we developed a scheme to quantitatively construct, for generic two-band models, the phase diagram of an excitonic…
A two-dimensional lattice system of non-interacting electrons in a homogeneous magnetic field with half a flux quantum per plaquette and a random potential is considered. For the large scale behavior a supersymmetric theory with collective…
Analytical relations for the mechanical response of single polymer chains are valuable for modeling purposes, on both the molecular and the continuum scale. These relations can be obtained using statistical thermodynamics and an idealized…
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…
The stability of a $\beta$-sheeted conformation and its transition into a random coil are studied with a 2D lattice biopolymer model. At low temperature and low external force, the polymer folds back and forth on itself and forms a…
Ultra-precision machining of metals, the breaking of nanowires under tensile stress and fracture of nanoscale materials are examples of technologically important processes which are both extremely difficult and costly to investigate…
This paper addresses the modeling of fracture in quasi-brittle materials using a phase-field approach to the description of crack topology. Within the computational mechanics community, several studies have treated the issue of modeling…
The Dynamical-gap formation in Weyl semimetals modulated by intense elliptically polarized light is addressed through the solution of the time-dependent Schr\"odinger equation for the Weyl Hamiltonian via the Floquet theorem. The…
The Kondo lattice mode, as one of the most fundamental models in condensed matter physics, has been employed to describe a wide range of quantum materials such as heavy fermions, transition metal dichalcogenides and two-dimensional Moire…
This work presents a new adaptive approach for the numerical simulation of a phase-field model for fractures in nearly incompressible solids. In order to cope with locking effects, we use a recently proposed mixed form where we have a…
A synergetic model describing the state of an ultrathin lubricant layer squeezed between two atomically smooth solid surfaces operating in the boundary friction mode has been developed further. To explain the presence of different operation…
We propose an elasticity theory for one and two dimensional arrays of globular proteins for which the free energy is affected by relative position and relative rotation between neighboring molecules. The kinematics of such assemblies is…
We perform a numerical study of the F-model with domain-wall boundary conditions. Various exact results are known for this particular case of the six-vertex model, including closed expressions for the partition function for any system size…
Multi-molecular excited states accompanied by an intra- and inter-molecular geometric relaxation are commonly encountered in optical and electrooptical studies and applications of organic semiconductors as, for example excimers or charge…
An elastic rod model for semi-flexible polymers is presented. Theory for a continuum rod is reviewed, and it is shown that a popular discretised model used in numerical simulations gives the correct continuum limit. Correlation functions…
This paper presents a model to simulate behavior of particle-laden slurry in a horizontal perforated wellbore with the goal of quantifying fluid and particle distribution between the perforations. There are two primary phenomena that…