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A non-reflecting wave equation through directional wave-field suppression and its finite difference implementation.

ABSTRACT: The acoustic wave equation describes wave propagation directly from basic physical laws, even in heterogeneous acoustic media. When numerically simulating waves with the wave equation, contrasts in the medium parameters automatically generate all scattering effects. For some applications - such as propagation analysis or certain wave-equation based imaging techniques - it is desirable to suppress these reflections, as we are only interested in the transmitted wave-field. To achieve this, a modification to the constitutive relations is proposed, yielding an extra term that suppresses waves with reference to a preferred direction. The scale-factor [Formula: see text] of this extra term can either be interpreted as a penetration depth or as a typical decay time. This modified theory is implemented using a staggered-grid, time-domain finite difference scheme, where the acoustic Poynting-vector is used to estimate the local propagation direction of the wave-field. The method was successfully used to suppress reflections in media with bone tissue (medical ultrasound) and geophysical subsurface structures, while introducing only minor perturbations to the transmitted wave-field and a small increase in computation time.

SUBMITTER: Schaeken T

PROVIDER: S-EPMC8748939 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:We consider the design of an effective and reliable adaptive finite element method (AFEM) for the nonlinear Poisson-Boltzmann equation (PBE). We first examine the two-term regularization technique for the continuous problem recently proposed by Chen, Holst, and Xu based on the removal of the singular electrostatic potential inside biomolecules; this technique made possible the development of the first complete solution and approximation theory for the Poisson-Boltzmann equation, the first provably convergent discretization, and also allowed for the development of a provably convergent AFEM. However, in practical implementation, this two-term regularization exhibits numerical instability. Therefore, we examine a variation of this regularization technique which can be shown to be less susceptible to such instability. We establish a priori estimates and other basic results for the continuous regularized problem, as well as for Galerkin finite element approximations. We show that the new approach produces regularized continuous and discrete problems with the same mathematical advantages of the original regularization. We then design an AFEM scheme for the new regularized problem, and show that the resulting AFEM scheme is accurate and reliable, by proving a contraction result for the error. This result, which is one of the first results of this type for nonlinear elliptic problems, is based on using continuous and discrete a priori L(∞) estimates to establish quasi-orthogonality. To provide a high-quality geometric model as input to the AFEM algorithm, we also describe a class of feature-preserving adaptive mesh generation algorithms designed specifically for constructing meshes of biomolecular structures, based on the intrinsic local structure tensor of the molecular surface. All of the algorithms described in the article are implemented in the Finite Element Toolkit (FETK), developed and maintained at UCSD. The stability advantages of the new regularization scheme are demonstrated with FETK through comparisons with the original regularization approach for a model problem. The convergence and accuracy of the overall AFEM algorithm is also illustrated by numerical approximation of electrostatic solvation energy for an insulin protein.

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A non-reflecting wave equation through directional wave-field suppression and its finite difference implementation.

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