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Full-Text Articles in Engineering
Coel: A Web-Based Chemistry Simulation Framework, Peter Banda, Drew Blount, Christof Teuscher
Coel: A Web-Based Chemistry Simulation Framework, Peter Banda, Drew Blount, Christof Teuscher
Computer Science Faculty Publications and Presentations
The chemical reaction network (CRN) is a widely used formalism to describe macroscopic behavior of chemical systems. Available tools for CRN modelling and simulation require local access, installation, and often involve local file storage, which is susceptible to loss, lacks searchable structure, and does not support concurrency. Furthermore, simulations are often single-threaded, and user interfaces are non-trivial to use. Therefore there are significant hurdles to conducting efficient and collaborative chemical research. In this paper, we introduce a new enterprise chemistry simulation framework, COEL, which addresses these issues. COEL is the first web-based framework of its kind. A visually pleasing and …
A Class Of Discontinuous Petrov–Galerkin Methods. Part Iii: Adaptivity, Leszek Demkowicz, Jay Gopalakrishnan, Antti H. Niemi
A Class Of Discontinuous Petrov–Galerkin Methods. Part Iii: Adaptivity, Leszek Demkowicz, Jay Gopalakrishnan, Antti H. Niemi
Mathematics and Statistics Faculty Publications and Presentations
We continue our theoretical and numerical study on the Discontinuous Petrov–Galerkin method with optimal test functions in context of 1D and 2D convection-dominated diffusion problems and hp-adaptivity. With a proper choice of the norm for the test space, we prove robustness (uniform stability with respect to the diffusion parameter) and mesh-independence of the energy norm of the FE error for the 1D problem. With hp-adaptivity and a proper scaling of the norms for the test functions, we establish new limits for solving convection-dominated diffusion problems numerically: for 1D and for 2D problems. The adaptive process is fully automatic and starts …
Polynomial Extension Operators. Part Iii, Leszek Demkowicz, Jay Gopalakrishnan, Joachim Schöberl
Polynomial Extension Operators. Part Iii, Leszek Demkowicz, Jay Gopalakrishnan, Joachim Schöberl
Mathematics and Statistics Faculty Publications and Presentations
In this concluding part of a series of papers on tetrahedral polynomial extension operators, the existence of a polynomial extension operator in the Sobolev space H(div) is proven constructively. Specifically, on any tetrahedron K, given a function w on the boundary ∂K that is a polynomial on each face, the extension operator applied to w gives a vector function whose components are polynomials of at most the same degree in the tetrahedron. The vector function is an extension in the sense that the trace of its normal component on the boundary ∂K coincides with w. Furthermore, the extension operator is …