the potential energy surface pes of (h2)2 dimer has been investigated, using five simple rigid rotor models. these models are called: head to head, symmetric side to side, l , steplike and t model. all calculations were done at two levels of ab initio  methods: mp2(full) and qcisd (t,full) using cc-pvtz basis set at singlet state of spin multiplicity. the results of scanning pes were then fitte...

Reiter has recently reported a situation in which the dewetting of quasi-solid films is linked to plastic deformation--rather than viscous flow--resulting from capillary forces. Herein we propose that, in thin films of some glassy polymers--especially poly(methyl methacrylate) (PMMA)--prepared by spin-casting from solvent, structural relaxation might impart sufficient stress to cause plastic de...

Background: The interaction between the blood and the vessel wall is of great clinical interest in studying cardiovascular diseases, the major causes of death in developed countries.Objective: To understand the effects of incorporating fluid-structure interaction into the simulation of blood flow through an anatomically realistic model of abdominal aorta and renal arteries reconstructed from CT...

A theory of elastically rigid finite deformation plasticity emphasizing the role of material symmetry is developed. The fields describing lattice rotation, dislocation density, and plastic spin, irrelevant in the case of isotropy, are found to be central to the present framework. A plane strain characteristic theory for anisotropic plasticity is formulated wherein the solutions, as well as the ...

These are the type of controlled drug delivery systems, which release the drug in continuous manner by both dissolution controlled as well as diffusion controlled mechanisms. To control the release of the drugs, which are having different solubility properties, the drug is dispersed in swellable hydrophilic substances, an insoluble matrix of rigid non swellable hydrophobic materials or plastic ...

Peter Csermely* ADVANCES: The efficiency of alternating plastic-like and rigid-like states in the adaptation to changing environments was shown in a large variety of complex systems. However, this extensive knowledge remained fragmented, and the generality of the phenomenon has not been described yet. Here plasticity-rigidity cycles are described as a general, powerful, systemlevel adaptive mec...