This paper presents Density Functional Theory and Non-Equilibrium Green’s Function based First Principles calculations to explore the sensing property of Adenine and Thymine based hetero-junction chins for Ammonia and Phosphine gas molecules. This modeling and simulation technique plays an important and crucial role in the fast growing semiconductor based nanotechnology field. The hetero-juncti...

Anatomy related heterogeneous discontinuities in material properties strongly influence human soft tissue behavior under mechanical load. We present a parametric model of the aortic root, which defines multi-material surface regions for advanced tissue property control and supports patient-specific model refinement. Our results strongly indicate improvements for in-silico clinical application e...

The variational asymptotic method for unit cell homogenization is used to find the sensitivity of the effective properties of periodically heterogeneous materials, within a periodic base-cell. The sensitivities are found by the direct differentiation of the variational asymptotic method for unit cell homogenization (VAMUCH) and by the method of adjoint variables. This sensitivity theory is impl...

A heterogeneous model consists of a solid model and a number of spatially distributed material attributes. Much progress has been made in developing methods for construction, design, and editing of such models. We consider the problem of optimization of a heterogeneous model, and show that its representation by a continuous function defined over a constructively represented domain naturally lea...