Related papers: Laguerre-Intersection Method for Implicit Solvatio…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
Recent work of Bornemann has uncovered hitherto hidden integrable structures relating to the asymptotic expansion of quantities at the soft edge of Gaussian and Laguerre random matrix ensembles. These quantities are spacing distributions…
In this paper, we propose a novel iterative multiscale framework for solving high-contrast contact problems of Signorini type. The method integrates the constrained energy minimizing generalized multiscale finite element method (CEM-GMsFEM)…
The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…
We present a collision model for particle-particle and particle-wall interactions in interface-resolved simulations of particle-laden flows. Three types of inter-particle interactions are taken into account: (1) long- and (2) short-range…
Locking is a common effect in finite element and isogeometric analysis. In the case of plates, transverse shear locking is most prominent, for shells several other types of locking exist. A common cure are mixed methods that introduce…
Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…
We present a unified framework to tie overlapping meshes in solid mechanics applications. This framework is a combination of the X-FEM method and the mortar method, which uses Lagrange multipliers to fulfill the tying constraints. As known,…
A level-set method is developed for numerically capturing the equilibrium solute-solvent interface that is defined by the recently proposed variational implicit solvent model (Dzubiella, Swanson, and McCammon, Phys. Rev. Lett. {\bf 104},…
We present a computationally efficient model that describes the interaction of intense, ultrashort infrared laser pulses with transparent materials in the strong ionization regime. The model is augmented with a detailed self-consistent…
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…
In this paper, we present a stable and efficient approach for constructing Laguerre pseudospectral differentiation matrices. The proposed method reformulates the off-diagonal entries and computes all required quantities simultaneously using…
The complexity of binary droplet collisions increases for the collision of immiscible liquids with the occurrence of triple lines and thin encapsulating films. The Volume of Fluid (VOF) method is extended with an efficient interface…
We introduce an Eulerian approach for problems involving one or more soft solids immersed in a fluid, which permits mechanical interactions between all phases. The reference map variable is exploited to simulate finite-deformation…
Strongly coupled immersed boundary (IB) methods solve the nonlinear fluid and structural equations of motion simultaneously for strongly enforcing the no-slip constraint on the body. Handling this constraint requires solving several large…
Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the…
In this paper, we propose a stabilised finite element method for the numerical solution of contact between a small deformation elastic membrane and a rigid obstacle. We limit ourselves to friction--free contact, but the formulation is…
Accurate frictional contact is critical in simulating the assembly of rod-like structures in the practical world, such as knots, hairs, flagella, and more. Due to their high geometric nonlinearity and elasticity, rod-on-rod contact remains…
This paper presents a novel intersection-based remapping method for isoparametric curvilinear meshes within the indirect arbitrary Lagrangian-Eulerian (ALE) framework, addressing the challenges of transferring physical quantities between…
This paper introduces a sharp interface method to simulate fluid-structure interaction (FSI) involving rigid bodies immersed in viscous incompressible fluids. The capabilities of this methodology are demonstrated for a range of benchmark…