Related papers: Stabilization of Ab Initio Molecular Dynamics Simu…
This study provides an abstract framework to analyze mixed formulations in viscoelasticity, in the classic saddle point form. Standard hypothesis for mixed methods are adapted to the Volterra type equations in order to obtain stability of…
The increasing application of cardiorespiratory simulations for diagnosis and surgical planning necessitates the development of computational methods significantly faster than the current technology. To achieve this objective, we leverage…
Turbulence in fluids, gases, and plasmas remains an open problem of both practical and fundamental importance. Its irreducible complexity usually cannot be tackled computationally in a brute-force style. Here, we combine Large Eddy…
In this thesis, we investigate a novel local projection based stabilized conforming virtual element method for the generalized Oseen problem using equal-order element pairs on general polygonal meshes. To ensure the stability, particularly…
Continuum robots offer high flexibility and multiple degrees of freedom, making them ideal for navigating narrow lumens. However, accurately modeling their behavior under large deformations and frequent environmental contacts remains…
We point out that two of Milne's fourth-order integrators are well-suited to bit-reversible simulations. The fourth-order method improves on the accuracy of Levesque and Verlet's algorithm and simplifies the definition of the velocity $v$…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
Lattice Boltzmann simulations have been very successful in simulating liquid-gas and other multi-phase fluid systems. However, the underlying second order analysis of the equation of motion has long been known to be insufficient to…
We introduce a method "DMT" for approximating density operators of 1D systems that, when combined with a standard framework for time evolution (TEBD), makes possible simulation of the dynamics of strongly thermalizing systems to arbitrary…
We propose and analyse an augmented mixed finite element method for the Oseen equations written in terms of velocity, vorticity, and pressure with non-constant viscosity and homogeneous Dirichlet boundary condition for the velocity. The…
We develop a unified continuum modeling framework for viscous fluids and hyperelastic solids using the Gibbs free energy as the thermodynamic potential. This framework naturally leads to a pressure primitive variable formulation for the…
We develop a semi-classical method to simulate the motion of atoms in a dissipative optical lattice. Our method treats the internal states of the atom quantum mechanically, including all nonadiabatic couplings, while position and momentum…
Kinetic approaches, i.e., methods based on the lattice Boltzmann equations, have long been recognized as an appealing alternative for solving incompressible Navier-Stokes equations in computational fluid dynamics. However, such approaches…
In this paper we introduce a finite element method for the Stokes equations with a massless immersed membrane. This membrane applies normal and tangential forces affecting the velocity and pressure of the fluid. Additionally, the points…
In this paper, we propose and analyze an abstract stabilized mixed finite element framework that can be applied to nonlinear incompressible elasticity problems. In the abstract stabilized framework, we prove that any mixed finite element…
In this work, the Immersed Boundary Method (IBM) with feedback forcing introduced by Goldstein et al. (1993) and often referred in the literature as the Virtual Boundary Method (VBM), is addressed. The VBM has been extensively applied both…
In this paper we consider stabilised finite element methods for hyperbolic transport equations without coercivity. Abstract conditions for the convergence of the methods are introduced and these conditions are shown to hold for three…
Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering, life and medical science. In the last decade, the approach…
The standard smoothed particle hydrodynamics (SPH) method suffers from tensile instability, resulting in particle clumping and void regions under negative pressure conditions. In this study, we extend the transport-velocity formulation of…
The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with the method of Wooten, Winer, and Weaire. The…