Calculations of Solid Properties Using Wien2k Package
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Phase transitions in crystalline materials

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Phase transitions in crystalline materials  Empty Phase transitions in crystalline materials

Post by Algerien1970 Sat 13 Jun - 18:46

Jun Li 


Department of Mechanical Science and Engineering 


University of Illinois Urbana Champaign



Abstract 

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-induced  to  shock-induced  transitions.  The  x-ray  diffraction 
measurements are consistent with a compression and shuffle mechanism and in good 
agreement with simulation results. 


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Date d'inscription : 2015-05-14

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