Search academic texts

Information × Registration Number 0221U102694, 0120U104922 , R & D reports Title Estimating the nature of unusual collective properties in disordered systems: Theory and ab initio simulations popup.stage_title Head Bryk Taras M., Доктор фізико-математичних наук Registration Date 08-02-2021 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description2  Upon the realization of the І stage of the project the Kob-Andersen model of a binary liquid with a composition 80-20 was studied for different mass ratio of components and estimated the dispersions of collective excitations and of heat waves. For an ionic melt NaCl was estimated the role of non-hydrodynamic collective modes in its dynamics based on a combination of analytical theory and ab initioo simulations. There were estimated thermal and other non-hydrodynamic processes in collective dynamics of supercritical Ne and of a quasi-one-dimensional fluid of hard disks. According to the second point of the calendar plan – for eight different pressures in the range 5-250 GPa were calculated atomistic structure (pair distribution functions) and autocorrelation functions of shear stress, that allowed to estimate the features of structure and dynamics in the region of molecular-to-atomic fluid transformation. Product Description popup.authors Ilenkov M.-I. A. Bryk Taras M. Hordijchuk Volodymyr V. Demchuk Taras V. Kopcha Maria I. Mryglod Ihor М. Trokhymchuk Andrii D. popup.nrat_date 2021-02-08 Close