We study the influence of temperature and the values of basic energy parameters on the character of vibron self-trapped states in quasi-one-dimensional hydrogen-bonded molecular chains. Investigations have been carried out within the one-dimensional Holstein molecular crystal model employing the variational extension of the Lang-Firsov unitary transformation. It was found that, in the low-temperature regime, only partially dressed small-polaron states may exist. With the rise of temperature, the system enters the metastability region, where partially dressed (light and mobile) and fully dressed (heavy and practically immobile) small-polaron states may exist simultaneously.

No abstract

We present a study of the physical properties of the vibrational excitation in α-helicoidal macromolecular chains, caused by the interaction with acoustical and optical phonon modes. The influence of the temperature and the basic system parameters on the vibron dressing has been analyzed by employing the simple mean-field approach based on the variational extension of the Lang-Firsov unitary transformation. Applied approach predicts a region in system parameter space where one takes place an abrupt transition from partially dressed (light and mobile) to fully dressed (immobile) vibron states. We found that the boundary of this region depends on system temperature and type of bond among structural elements in the macromolecular chain.The authors are grateful to I. Bondarev, for valuable comments and discussion on possibility of coexistence two vibron states, mobile and immobile ones.

No abstract

We elaborate the recently introduced theory of flow stress, including yield strength, in polycrystalline materials under quasi-static plastic deformations, thereby extending the case of single-mode aggregates to multimodal ones in the framework of a two-phase model which is characterized by the presence of crystalline and grain-boundary phases. Both analytic and graphic forms of the generalized Hall-Petch relations are obtained for multimodal samples with BCC (αphase Fe), FCC (Cu, Al, Ni) and HCP (α-Ti, Zr) crystalline lattices at T=300K with different values of the grainboundary (second) phase. The case of dispersion hardening due to a natural incorporation into the model of a third phase including additional particles of doping materials is considered. The maximum of yield strength and the respective extremal grain size of samples are shifted by changing both the input from different grain modes and the values at the second and third phases. We study the influence of multimodality and dispersion hardening on the temperaturedimensional effect for yield strength within the range of 150-350K.