Continuum solvation models are widely used to accurately estimate solvent effects on energy, structural and spectroscopic properties of complex molecular systems. The polarizable continuum model (PCM) is one of the most versatile among the continuum models because of the variety of properties that can be computed and the diversity of methods that can be used to describe the solute from molecula...

We present an overview of hybridizable discontinuous Galerkin methods for solving partial differential equations (PDEs) in continuum mechanics [1, 2, 3, 4]. The essential ingredients are a local Galerkin projection of the underlying PDEs at the element level onto spaces of polynomials of degree k to parametrize the numerical solution in terms of the numerical trace; a judicious choice of the nu...

The era of commodity computing brings a profound change in the use of numerical analysis of continuum mechanics problems in science and engineering. Teraflop-rate computing facility, until recently available only to chosen few is becoming commonplace in an industrial setting. Range and complexity of problems where numerical methods are applied is also expanding. Here, massive reduction in the c...

Understanding the kinematics of the tongue during normal speech will provide important information both for accurate modeling of the acoustics of the vocal tract and for clinical diagnosis and enhanced treatment of persons with abnormal speech due to tongue motion impediments. Measuring tongue motion can be done using magnetic resonance imaging (MRI) which cannot provide the temporal resolution...

Despite evidence that glial cell surfaces and components of the extracellular matrix (ECM) support neurite outgrowth in many culture systems, the relative contributions of these factors have rarely been compared directly. Specifically, it remains to be determined which components of peripheral nerve support growth of central nerve fibers. We have directly compared neurite outgrowth from embryon...

Abstract This contribution presents a theoretical and computational framework for two-scale shape optimisation of nonlinear elastic structures. Particularly, minimum compliance problems with composite (matrix-inclusion) microstructures subjected to static loads volume-type design constraints are focused. A homogenisation-based FE $$^2$$ ...

The charm contribution into the proton structure function in DIS at the HERA ep-collider Abstract In the framework of perturbative QCD and a model for the production of charmed hadrons the structure function F c 2 is calculated and compared with the experimental data of H1 and ZEUS Collaborations. We show that the spectator mechanism of the D *-meson production independent of a hadronic remnant...

The curvature of DIS structure functions like F p 2 (x,Q ), i.e., its second derivative with respect to the photon’s virtuality Q at fixed values of x, plays a decisive role in probing the range of validity of perturbative QCD evolutions of parton distributions in the small-x region. This has been observed recently [1, 2, 3, 4] and it was demonstrated that NLO(MS) evolutions imply a positive cu...

This paper presents the thermal vibration analysis of double-layer graphene sheet embedded in polymer elastic medium, using the plate theory and nonlocal continuum mechanics for small scale effects. The graphene is modeled based on continuum plate theory and the axial stress caused by the thermal effects is also considered. Nonlocal governing equations of motion for this double-layer graphene s...

The nonlinear bending behavior of sector graphene sheets is studied subjected to uniform transverse loads resting on a Winkler-Pasternak elastic foundation using the nonlocal elasticity theory. Considering the nonlocal differential constitutive relations of Eringen theory based on first order shear deformation theory and using the von-Karman strain field, the equilibrium partial differential eq...