Driving forces of phase transitions in molecular materials

Phase transitions in crystalline materials

We reviewed structural phase transitions in crystalline materials, especially recent simulations and experiments on the shock-induced transitions in iron. They both confirmed a phase transition wave in the picosecond to nanosecond time scale, inferred previously from wave profile analyses. The nonequilibrium molecular dynamics simulation suggests modification of pair potentials from temperature...

Liquid Nanostructures: Phase Transitions, Forces and Friction

Grand canonical Monte Carlo calculations and molecular dynamics simulations are used to investigate binary mixtures confined between chemically patterned surfaces. For certain patterns and surface separations, a surfaceinduced phase consisting of liquid “bridges” joining like-patterned regions of the plates is observed. Furthermore, since these bridges involve liquid-liquid interfaces their sha...

NUMERICAL SIMULATIONS OF THE PHASE TRANSITIONS IN CLUSTERS

We have studied the phase transitions in atomic clusters by molecular dynamics simulation, assuming Lennard-Jones interatomic pair potential. Calculations are performed by DAP parallel computer. The results are analyzed by simulating their orientational distribution plots (dot-plot), and neutron diffraction patterns. It is shown that all the main features of the bulk phase transitions are e...

Phase transitions of elastic solid materials

synthesis of platinum nanostructures in two phase system

چکیده پلاتین، فلزی نجیب، پایدار و گران قیمت با خاصیت کاتالیزوری زیاد است که کاربرد های صنعتی فراوانی دارد. کمپلکس های پلاتین(ii) به عنوان دارو های ضد سرطان شناخته شدند و در شیمی درمانی بیماران سرطانی کاربرد دارند. خاصیت کاتالیزوری و عملکرد گزینشی پلاتین مستقیماً به اندازه و- شکل ماده ی پلاتینی بستگی دارد. بعضی از نانو ذرات فلزی در سطح مشترک مایع- مایع سنتز شده اند، اما نانو ساختار های پلاتین ب...