1,272 research outputs found
GEMPIC: Geometric ElectroMagnetic Particle-In-Cell Methods
We present a novel framework for Finite Element Particle-in-Cell methods
based on the discretization of the underlying Hamiltonian structure of the
Vlasov-Maxwell system. We derive a semi-discrete Poisson bracket, which retains
the defining properties of a bracket, anti-symmetry and the Jacobi identity, as
well as conservation of its Casimir invariants, implying that the semi-discrete
system is still a Hamiltonian system. In order to obtain a fully discrete
Poisson integrator, the semi-discrete bracket is used in conjunction with
Hamiltonian splitting methods for integration in time. Techniques from Finite
Element Exterior Calculus ensure conservation of the divergence of the magnetic
field and Gauss' law as well as stability of the field solver. The resulting
methods are gauge invariant, feature exact charge conservation and show
excellent long-time energy and momentum behaviour. Due to the generality of our
framework, these conservation properties are guaranteed independently of a
particular choice of the Finite Element basis, as long as the corresponding
Finite Element spaces satisfy certain compatibility conditions.Comment: 57 Page
Three real-space discretization techniques in electronic structure calculations
A characteristic feature of the state-of-the-art of real-space methods in
electronic structure calculations is the diversity of the techniques used in
the discretization of the relevant partial differential equations. In this
context, the main approaches include finite-difference methods, various types
of finite-elements and wavelets. This paper reports on the results of several
code development projects that approach problems related to the electronic
structure using these three different discretization methods. We review the
ideas behind these methods, give examples of their applications, and discuss
their similarities and differences.Comment: 39 pages, 10 figures, accepted to a special issue of "physica status
solidi (b) - basic solid state physics" devoted to the CECAM workshop "State
of the art developments and perspectives of real-space electronic structure
techniques in condensed matter and molecular physics". v2: Minor stylistic
and typographical changes, partly inspired by referee comment
Discrete conservation properties for shallow water flows using mixed mimetic spectral elements
A mixed mimetic spectral element method is applied to solve the rotating
shallow water equations. The mixed method uses the recently developed spectral
element histopolation functions, which exactly satisfy the fundamental theorem
of calculus with respect to the standard Lagrange basis functions in one
dimension. These are used to construct tensor product solution spaces which
satisfy the generalized Stokes theorem, as well as the annihilation of the
gradient operator by the curl and the curl by the divergence. This allows for
the exact conservation of first order moments (mass, vorticity), as well as
quadratic moments (energy, potential enstrophy), subject to the truncation
error of the time stepping scheme. The continuity equation is solved in the
strong form, such that mass conservation holds point wise, while the momentum
equation is solved in the weak form such that vorticity is globally conserved.
While mass, vorticity and energy conservation hold for any quadrature rule,
potential enstrophy conservation is dependent on exact spatial integration. The
method possesses a weak form statement of geostrophic balance due to the
compatible nature of the solution spaces and arbitrarily high order spatial
error convergence
Compatible finite element spaces for geophysical fluid dynamics
Compatible finite elements provide a framework for preserving important structures in equations of geophysical uid dynamics, and are becoming important in their use for building atmosphere and ocean models. We survey the application of compatible finite element spaces to geophysical uid dynamics, including the application to the nonlinear rotating shallow water equations, and the three-dimensional compressible Euler equations. We summarise analytic results about dispersion relations and conservation properties, and present new results on approximation properties in three dimensions on the sphere, and on hydrostatic balance properties
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