Molecular dynamics (MD) simulations have been carried out to investigate the defect’s effect on the mechanical properties of single-crystal copper nanowire with different surface defects, under torsion deformation. The torsional rigidity is found insensitive to the surface defects and the critical angle appears an obvious decrease due to the surface defects, the largest decrease is found for th...

We present a physical model that explains the dependence of UV cross section ClOOCl on temperature in actinic wavelength region measured before by J.J. Lin, A.F. Chen and Y.T. Lee [Chemistry — An Asian Journal, 6, 1664–1678 (2011)]. It was unclear why there are frequency regions which decreases with increasing others it increases. This interesting behaviour is now shown to be due non-rigidity m...

Torsional and rotational spectroscopic properties of pyruvic acid are determined using highly correlated ab initio methods combining two different theoretical approaches: Second order perturbation theory a variational procedure in three-dimensions. Four equilibrium geometries acid, Tc, Tt, Ct, CC, outcome from search with CCSD(T)-F12. All them can be classified the Cs point group. The calculati...

In this paper we consider the so-called procedure of Continuous Steiner Symmetrization , introduced by Brock in [F. Brock, Math. Nachr. 172 (1995) 25–48 and F. Proc. Indian Acad. Sci. 110 (2000) 157–204]. It transforms every open set Ω ⊂⊂ ℝ d into ball keeping volume fixed letting first eigenvalue torsional rigidity respectively decrease increase. While does not provide, general, a γ -continuou...

<abstract><p>We consider the sharp Sobolev-Poincaré constant for embedding of $ W^{1, 2}_0(\Omega) into L^q(\Omega) $. We show that such a exhibits an unexpected dual variational formulation, in range 1 < q 2 Namely, this can be written as convex minimization problem, under divergence–type constraint. This is particularly useful order to prove lower bounds. The result general...