High Performance Computing With A Conservative Spectral Boltzmann Solver

We present new results building on the conservative deterministic spectral method for the space inhomogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. We extend this method to second order accuracy in space and time, and explore how to leverage the structure of the collisional formulation for high performance computing environments. The locality in space of the collisional term provides a straightforward memory decomposition, and we perform some initial scaling tests on high performance computing resources. We also use the improved computational power of this method to investigate a boundary-layer generated shock problem that cannot be described by classical hydrodynamics.Mathematic

Mean Field Approach to the Giant Wormhole Problem

We introduce a gaussian probability density for the space-time distribution of wormholes, thus taking effectively into account wormhole interaction. Using a mean-field approximation for the free energy, we show that giant wormholes are probabilistically suppressed in a homogenous isotropic ``large'' universe.Comment: 10 pages, Late

A Conservative Discontinuous Galerkin Scheme With O(N-2) Operations In Computing Boltzmann Collision Weight Matrix

In the present work, we propose a deterministic numerical solver for the homogeneous Boltzmann equation based on Discontinuous Galerkin (DG) methods. The weak form of the collision operator is approximated by a quadratic form in linear algebra setting. We employ the property of >shifting symmetry> in the weight matrix to reduce the computing complexity from theoretical O(N-3) down to O(N-2), with N the total number of freedom for d-dimensional velocity space. In addition, the sparsity is also explored to further reduce the storage complexity. To apply lower order polynomials and resolve loss of conserved quantities, we invoke the conservation routine at every time step to enforce the conservation of desired moments (mass, momentum and/or energy), with only linear complexity. Due to the locality of the DG schemes, the whole computing process is well parallelized using hybrid OpetiMP and MPI. The current work only considers integrable angular cross-sections under elastic and/or inelastic interaction laws. Numerical results on 2-D and 3-D problems are shown.Mathematic

Conservative Deterministic Spectral Boltzmann Solver Near The Grazing Collisions Limit

We present new results building on the conservative deterministic spectral method for the space homogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. Within this framework we have extended the formulation to the case of more general case of collision operators with anisotropic scattering mechanisms, which requires a new formulation of the convolution weights. We also derive the grazing collisions limit for the method, and show that it is consistent with the Fokker-Planck-Landau equations as the grazing collisions parameter goes to zero.Mathematic

A Fast Conservative Spectral Solver For The Nonlinear Boltzmann Collision Operator

We present a conservative spectral method for the fully nonlinear Boltzmann collision operator based on the weighted convolution structure in Fourier space developed by Gamba and Tharkabhushnanam.. This method can simulate a broad class of collisions, including both elastic and inelastic collisions as well as angularly dependent cross sections in which grazing collisions play a major role. The extension presented in this paper consists of factorizing the convolution weight on quadrature points by exploiting the symmetric nature of the particle interaction law, which reduces the computational cost and memory requirements of the method to O(M(2)N(4)logN) from the O(N-6) complexity of the original spectral method, where N is the number of velocity grid points in each velocity dimension and M is the number of quadrature points in the factorization, which can be taken to be much smaller than N. We present preliminary numerical results.Mathematic

A discontinuous Galerkin method for the Vlasov-Poisson system

A discontinuous Galerkin method for approximating the Vlasov-Poisson system of equations describing the time evolution of a collisionless plasma is proposed. The method is mass conservative and, in the case that piecewise constant functions are used as a basis, the method preserves the positivity of the electron distribution function and weakly enforces continuity of the electric field through mesh interfaces and boundary conditions. The performance of the method is investigated by computing several examples and error estimates associated system's approximation are stated. In particular, computed results are benchmarked against established theoretical results for linear advection and the phenomenon of linear Landau damping for both the Maxwell and Lorentz distributions. Moreover, two nonlinear problems are considered: nonlinear Landau damping and a version of the two-stream instability are computed. For the latter, fine scale details of the resulting long-time BGK-like state are presented. Conservation laws are examined and various comparisons to theory are made. The results obtained demonstrate that the discontinuous Galerkin method is a viable option for integrating the Vlasov-Poisson system.Comment: To appear in Journal for Computational Physics, 2011. 63 pages, 86 figure

Analytical Strategies for Fingerprinting of Antioxidants, Nutritional Substances, and Bioactive Compounds in Foodstuffs Based on High Performance Liquid Chromatography-Mass Spectrometry: An Overview

New technology development and globalisation have led to extreme changes in the agri-food sector in recent years that need an important food supply chain characterisation from plant materials to commercial productions. Many analytical strategies are commonly utilised in the agri-food industry, often using complementary technologies with different purposes. Chromatography on-line coupled to mass spectrometry (MS) is one of the most selective and sensitive analytical methodologies. The purpose of this overview is to present the most recent MS-based techniques applied to food analysis. An entire section is dedicated to the recent applications of high-resolution MS. Covered topics include liquid (LC)– and gas chromatography (GC)–MS analysis of natural bioactive substances, including carbohydrates, flavonoids and related compounds, lipids, phenolic compounds, vitamins, and other different molecules in foodstuffs from the perspectives of food composition, food authenticity and food adulteration. The results represent an important contribution to the utilisation of GC–MS and LC–MS in the field of natural bioactive compound identification and quantification