Search results for "Boundary Condition"
showing 10 items of 235 documents
Self-Assembly of Polymeric Particles in Poiseuille Flow: A Hybrid Lattice Boltzmann/External Potential Dynamics Simulation Study
2017
We present a hybrid simulation method which allows one to study the dynamical evolution of self-assembling (co)polymer solutions in the presence of hydrodynamic interactions. The method combines an established dynamic density functional theory for polymers that accounts for the nonlocal character of chain dynamics at the level of the Rouse model, the external potential dynamics (EPD) model, with an established Navier–Stokes solver, the Lattice Boltzmann (LB) method. We apply the method to study the self-assembly of nanoparticles and vesicles in two-dimensional copolymer solutions in a typical microchannel Poiseuille flow profile. The simulations start from fully mixed systems which are sudd…
Partition function of the trigonometric SOS model with reflecting end
2010
We compute the partition function of the trigonometric SOS model with one reflecting end and domain wall type boundary conditions. We show that in this case, instead of a sum of determinants obtained by Rosengren for the SOS model on a square lattice without reflection, the partition function can be represented as a single Izergin determinant. This result is crucial for the study of the Bethe vectors of the spin chains with non-diagonal boundary terms.
Mass-flux-based outlet boundary conditions for the lattice Boltzmann method
2009
We present outlet boundary conditions for the lattice Boltzmann method. These boundary conditions are constructed with a mass-flux-based approach. Conceptually, the mass-flux-based approach provides a mathematical framework from which specific boundary conditions can be derived by enforcing given physical conditions. The object here is, in particular, to explain the mass-flux-based approach. Furthermore, we illustrate, transparently, how boundary conditions can be derived from the emerging mathematical framework. For this purpose, we derive and present explicitly three outlet boundary conditions. By construction, these boundary conditions have an apparent physical interpretation which is fu…
Surface free energy of the open XXZ spin-1/2 chain
2012
We study the boundary free energy of the XXZ spin-$\tf{1}{2}$ chain subject to diagonal boundary fields. We first show that the representation for its finite Trotter number approximant obtained by Bortz, Frahm and G\"{o}hmann is related to the partition function of the six-vertex model with reflecting ends. Building on the Tsuchiya determinant representation for the latter quantity we are able to take the infinite Trotter number limit. This yields a representation for the surface free energy which involves the solution of the non-linear integral equation that governs the thermodynamics of the XXZ spin-1/2 chain subject to periodic boundary conditions. We show that this integral representati…
Resonant Transitions Due to Changing Boundaries
2019
The problem of a particle confined in a box with moving walls is studied, focusing on the case of small perturbations which do not alter the shape of the boundary (\lq pantography\rq). The presence of resonant transitions involving the natural transition frequencies of the system and the Fourier transform of the velocity of the walls of the box is brought to the light. The special case of a pantographic change of a circular box is analyzed in dept, also bringing to light the fact that the movement of the boundary cannot affect the angular momentum of the particle.
A quantum particle in a box with moving walls
2013
We analyze the non-relativistic problem of a quantum particle that bounces back and forth between two moving walls. We recast this problem into the equivalent one of a quantum particle in a fixed box whose dynamics is governed by an appropriate time-dependent Schroedinger operator.
Nonlinear Nonhomogeneous Elliptic Problems
2019
We consider nonlinear elliptic equations driven by a nonhomogeneous differential operator plus an indefinite potential. The boundary condition is either Dirichlet or Robin (including as a special case the Neumann problem). First we present the corresponding regularity theory (up to the boundary). Then we develop the nonlinear maximum principle and present some important nonlinear strong comparison principles. Subsequently we see how these results together with variational methods, truncation and perturbation techniques, and Morse theory (critical groups) can be used to analyze different classes of elliptic equations. Special attention is given to (p, 2)-equations (these are equations driven…
Electronic structure trends of Möbius graphene nanoribbons from minimal-cell simulations
2014
Investigating topological effects in materials requires often the modeling of material systems as a whole. Such modeling restricts system sizes, and makes it hard to extract systematic trends. Here, we investigate the effect of M\"obius topology in the electronic structures of armchair graphene nanoribbons. Using density-functional tight-binding method and minimum-cell simulations through revised periodic boundary conditions, we extract electronic trends merely by changing cells' symmetry operations and respective quantum number samplings. It turns out that for a minimum cell calculation, once geometric and magnetic contributions are ignored, the effect of the global topology is unexpectedl…
Two-particle azimuthal correlations in photonuclear ultraperipheral Pb+Pb collisions at 5.02 TeV with ATLAS
2021
We thank CERN for the very successful operation of the LHC, as well as the support staff from our institutions without whom ATLAS could not be operated efficiently. We acknowledge the support of ANPCyT, Argentina, YerPhI, Armenia, ARC, Australia, BMWFW and FWF, Austria, ANAS, Azerbaijan, SSTC, Belarus, CNPq and FAPESP, Brazil, NSERC, NRC, and CFI, Canada, CERN and ANID, Chile, CAS, MOST, and NSFC, China, COLCIENCIAS, Colombia, MSMT CR, MPO CR, and VSC CR, Czech Republic, DNRF and DNSRC, Denmark, IN2P3-CNRS and CEA-DRF/IRFU, France, SRNSFG, Georgia, BMBF, HGF, and MPG, Germany, GSRT, Greece, RGC and Hong Kong SAR, China, ISF and Benoziyo Center, Israel, INFN, Italy, MEXT and JSPS, Japan, CNR…
Multiscale modeling of polycrystalline materials: A boundary element approach to material degradation and fracture
2015
Abstract In this work, a two-scale approach to degradation and failure in polycrystalline materials is proposed. The formulation involves the engineering component level (macro-scale) and the material grain level (micro-scale). The macro-continuum is modeled using a three-dimensional boundary element formulation in which the presence of damage is formulated through an initial stress approach to account for the local softening in the neighborhood of points experiencing degradation at the micro-scale. The microscopic degradation is explicitly modeled by associating Representative Volume Elements (RVEs) to relevant points of the macro continuum, for representing the polycrystalline microstruct…