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It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint…
We present a robust computational framework for advective-diffusive-reactive systems that satisfies maximum principles, the non-negative constraint, and element-wise species balance property. The proposed methodology is valid on general…
In this study, we propose a unified, general framework for the direct discontinuous Galerkin methods. In the new framework, the antiderivative of the nonlinear diffusion matrix is not needed. This allows a simple definition of the numerical…
This paper deals with the formulation and numerical implementation of a fully coupled continuum model for deformation-diffusion in linearized elastic solids. The mathematical model takes into account the effect of the deformation on the…
In this paper, we propose and analyze a numerically stable and convergent scheme for a convection-diffusion-reaction equation in the convection-dominated regime. Discontinuous Galerkin (DG) methods are considered since standard finite…
We propose a new formula for the nonlinear viscous numerical flux and extend the direct discontinuous Galerkin method with interface correction (DDGIC) of Liu and Yan (H. Liu, J. Yan, The direct discontinuous Galerkin (DDG) method for…
We consider the tensorial diffusion equation, and address the discrete maximum-minimum principle of mixed finite element formulations. In particular, we address non-negative solutions (which is a special case of the maximum-minimum…
We develop a cut Discontinuous Galerkin method (cutDGM) for a diffusion-reaction equation in a bulk domain which is coupled to a corresponding equation on the boundary of the bulk domain. The bulk domain is embedded into a structured,…
Predictive simulations are crucial for the success of many subsurface applications, and it is highly desirable to obtain accurate non-negative solutions for transport equations in these numerical simulations. In this paper, we propose a…
The tempered fractional diffusion equation could be recognized as the generalization of the classic fractional diffusion equation that the truncation effects are included in the bounded domains. This paper focuses on designing the high…
In this paper, we consider anisotropic diffusion with decay, and the diffusivity coefficient to be a second-order symmetric and positive definite tensor. It is well-known that this particular equation is a second-order elliptic equation,…
As an extension of our previous work in Sun et.al (2018) [41], we develop a discontinuous Galerkin method for solving cross-diffusion systems with a formal gradient flow structure. These systems are associated with non-increasing entropy…
In this paper, a new variational formulation based on discontinuous Galerkin technique for a reaction-diffusion problem is introduced, and the discontinuous Galerkin technique of this work is different from the general discontinuous…
The task of deducing three-dimensional molecular configurations from their two-dimensional graph representations holds paramount importance in the fields of computational chemistry and pharmaceutical development. The rapid advancement of…
Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a…
Aerial manipulators undergo rapid, configuration-dependent changes in inertial coupling forces and aerodynamic forces, making accurate dynamics modeling a core challenge for reliable control. Analytical models lose fidelity under these…
In this article we propose a unified framework in order to study reaction-diffusion systems containing self- and cross-diffusion using a free energy approach. This framework naturally leads to the formulation of an energy law, and to a…
This paper presents a modeling framework---mathematical model and computational framework---to study the response of a plastic material due to the presence and transport of a chemical species in the host material. Such a modeling framework…
In this second part of our two-part paper, we extend to multiple spatial dimensions the one-dimensional, fully conservative, positivity-preserving, and entropy-bounded discontinuous Galerkin scheme developed in the first part for the…
Diffusion processes are instrumental to describe the movement of a continuous quantity in a generic network of interacting agents. Here, we present a probabilistic framework for diffusion in networks and propose to classify agent…