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public 01:34:49

Gregory Beylkin : Solving Equations using nonlinear approximations

  -   Applied Math and Analysis ( 91 Views )

The idea of using nonlinear approximations as a tool for solving equations is as natural as that of using bases and, in fact, was proposed in 1960 in the context of quantum chemistry. The usual approach to solving partial differential and integral equations is to select a basis (possibly a multiresolution basis) or a grid, project equations onto such basis and solve the resulting discrete equations. The nonlinear alternative is to look for the solution within a large lass of functions (larger than any basis) by constructing optimal or near optimal approximations at every step of an algorithm for solving the equations. While this approach can theoretically be very efficient, the difficulties of constructing optimal approximations prevented any significant use of it in practice. However, during the last 15 years, nonlinear approximations have been successfully used to approximate operator kernels via exponentials or Gaussians to any user-specified accuracy, thus enabling a number of multidimensional multiresolution algorithms. In a new development several years ago, we constructed a fast and accurate reduction algorithm for optimal approximation of functions via exponentials or Gaussians (or, in a dual form, by rational functions) than can be used for solving partial differential and integral equations equations. We present two examples of the resulting solvers: one for the viscous Burgers' equation and another for solving the Hartree-Fock equations of quantum chemistry. Burgers' equation is often used as a testbed for numerical methods: if the viscosity \vu; is small, its solutions develop sharp (moving) transition regions of width O (\vu) presenting significant challenges for numerical methods. Using nonlinear approximations for solving the Hartree-Fock equations is the first step to a wider use of the approach in quantum chemistry. We maintain a functional form for the spatial orbitals as a linear combinations of products of decaying exponentials and spherical harmonics entered at the nuclear cusps. While such representations are similar to the classial Slater-type orbitals, in the course of computation we optimize both the exponents and the coefficients in order to achieve an efficient representation of solutions and to obtain guaranteed error bounds.

public 01:24:58

Ken Kamrin : A hierarchy of continuum models for granular flow

  -   Applied Math and Analysis ( 91 Views )

Granular materials are common in everyday life but are historically difficult to model. This has direct ramifications owing to the prominent role granular media play in multiple industries and terrain dynamics. One can attempt to track every grain with discrete particle methods, but realistic systems are often too large for this approach and a continuum model is desired. However, granular media display unusual behaviors that complicate the continuum treatment: they can behave like solid, flow like liquid, or separate into a "gas", and the rheology of the flowing state displays remarkable subtleties that have been historically difficult to model. To address these challenges, in this talk we develop a family of continuum models and solvers, permitting quantitative modeling capabilities for a variety of applications, ranging from general problems to specific techniques for problems of intrusion, impact, driving, and locomotion in grains.

To calculate flows in general cases, a rather significant nonlocal effect is evident, which is well-described with our recent nonlocal model accounting for grain cooperativity within the flow rule. This model enables us to capture a number of seemingly disparate manifestations of particle size-effects in granular flows including: (i) the wide shear-band widths observed in many inhomogeneous flows, (ii) the apparent strengthening exhibited in thin layers of grains, and (iii) the fluidization observed due to far-away motion of a boundary. On the other hand, to model only intrusion forces on submerged objects, we will show, and explain why, many of the experimentally observed results can be captured from a much simpler tension-free frictional plasticity model. This approach gives way to some surprisingly simple general tools, including the granular Resistive Force Theory, and a broad set of scaling laws inherent to the problem of granular locomotion. These scalings are validated experimentally and in discrete particle simulations suggesting a new down-scaled paradigm for granular locomotive design, on earth and beyond, to be used much like scaling laws in fluid mechanics.