The back-bending phenomenon in 158Er

The results of a variation after angular momentum projection calculation with axial Nilsson-BCS-like intrinsic wave functions and a cranked Hartree-Fock-Bogoliubov calculation for the back-bending region in ¹⁵⁸Er are reported. The moment-of-inertia values in the former are closer to the experimental results.     

An angular momentum expansion of energy and structure of high spin states

A new angular momentum expansion of level energies of ground-state band of even-even nuclei has been obtained which is found to converge rapidly even for the most back-bending nuclei. Attempts have been made to interpret the parameters and calculate them microscopically. It is found that nuclear structure in the forward bending region is quite different compared to that in the back-bending region.     

Excitation energy and angular momentum dependence of nuclear level densities and spin cut-off factor in SPA and SPA + RPA approaches

We investigate the excitation energy (E^*) and angular momentum (J) dependence of nuclear level density and spin cut-off factor (σ) within microscopic approaches based on SPA and its extension SPA + RPA representation of the grand partition function for quadrupole-quadrupole interaction model Hamiltonian. For ¹¹⁰Sn, we find that excitation energy dependence of the total level density obtained within these approaches is significantly different. On the other hand, these approaches yield similar behaviour for J-dependence of the level density at fixed values of E^*. Values of σ_{SPA + RPA} at low E^* are found to be slightly smaller than σ_SPA but they tend to become almost the same at higher E^* (> 30 MeV). We also find that Bethe's formula for fixed-J level density based on the spin cut-off approximation can be used to compute (E^*, J) near the yrast line provided one uses an appropriate value of the spin cut-off factor.     

Iterative methods for solving proximal split minimization problems

In this paper, we propose two iterative algorithms for finding the minimum-norm solution of a split minimization problem. We prove strong convergence of the sequences generated by the proposed algorithms. The iterative schemes are proposed in such a way that the selection of the step-sizes does not need any prior information about the operator norm. We further give some examples to numerically verify the efficiency and implementation of our new methods and compare the two algorithms presented. Our results act as supplements to several recent important results in this area.     

Systems of quasi-variational relations with applications

In this paper, we introduce a system of quasi-variational relations (in short, SQVR) and present several examples which show that it is a very general and unified model of several problems. We establish the existence of solutions of SQVP, in general, and several other problems, in particular. As an application of our results, we derive maximal element theorems and a collectively fixed point theorem for a family of multivalued maps. As further applications, we study Ky Fan type inequality / inclusion problem for vector valued bifunctions which includes constrained Nash equilibrium problem as a special case. We also present a common fixed point theorem for a family of multivalued maps. The results of this paper improve and generalize several known results on (system of) quasi-equilibrium problems, (system of) quasi-variational inclusions, constrained Nash equilibrium problem, collectively fixed point theorem and KKM type theorems for a family of multivalued maps. Our results also contain several results which appeared in recent literature.     

Holographic Dark Energy in Higher Derivative Gravity with Varying Gravitational Constant

In this paper we investigate the holographic dark energy scenario in higher derivative gravity with a varying gravitational constant. We introduce a kind of energy density from higher derivative gravity which has role of the same as holographic dark energy. We obtain the exact differential equation , which determine the evolution of the dark energy density based on varying gravitational constant G. We also find out a cosmological application of our work by evaluating a relation for the equation of state of dark energy for low redshifts containing varying G correction.     

An Iterative method for nonlinear variational inequalities arising in elastoplasticity ∗

In this paper, we study an iterative method, which includes the Ka?anov method as a particular case, for solving nonlinear variational inequalities of the second kind. A convergence result is also proved under suitable assumptions. We apply our iterative method to solve an elastoplasticity problem.     

Insights into the binding mechanism of 2,5-substituted 4-pyrone derivatives as therapeutic agents for fused dimeric interactions: A computational study using QTAIM,dynamics and docking simulations of protein–ligand complexes

The study is focused on examining 2,5-Substituted 4-Pyrone based compounds through quantum chemical and topological analysis techniques, evaluating the properties of these compounds, including their geometrical structure, intermolecular interactions and assess their possible applications. Additionally, the molecular stability, charge delocalization and UV-Visible data was investigated and compared with the calculated energy and oscillator strength using the TD-DFT approach. The researchers observed that charge transfer occurred within the molecule, indicated by the HOMO and LUMO energies. It was also found that the compound exhibited planarity and higher chemical reactivity. The calculated Mulliken charges and molecular electrostatic potential were used to interpret the Fukui index data that help predict reactive sites and understand the reactivity patterns of specific atoms in a compound. The study is aimed to understand the role of NCI in the molecule under investigation using electron localization functions and localized orbit locator methods. Molecular docking and ADMET studies were conducting involving a detailed MD simulation of a protein-ligand complex using the OPLS3e force field and the SPC water model. These findings could prove to be beneficial in developing new therapeutic agents with various pharmacological effects and potential toxicities.     

Size-dependent buckling analysis of functionally graded third-order shear deformable microbeams including thermal environment effect

Presented herein is the prediction of buckling behavior of size-dependent microbeams made of functionally graded materials (FGMs) including thermal environment effect. To this purpose, strain gradient elasticity theory is incorporated into the classical third-order shear deformation beam theory to develop a non-classical beam model which contains three additional internal material length scale parameters to consider the effects of size dependencies. The higher-order governing differential equations are derived on the basis of Hamilton’s principle. Afterward, the size-dependent differential equations and related boundary conditions are discretized along with commonly used end supports by employing generalized differential quadrature (GDQ) method. A parametric study is carried out to demonstrate the influences of the dimensionless length scale parameter, material property gradient index, temperature change, length-to-thickness aspect ratio and end supports on the buckling characteristics of FGM microbeams. It is revealed that temperature change plays more important role in the buckling behavior of FGM microbeams with higher values of dimensionless length scale parameter.