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SUMMARY:Keynote 7 - Molecular Rheology of Entangled Polymeric Fluids: New 
 Discoveries and Remaining Challenges
DTSTART;VALUE=DATE-TIME:20181211T105000Z
DTEND;VALUE=DATE-TIME:20181211T113000Z
DTSTAMP;VALUE=DATE-TIME:20260523T191809Z
UID:indico-contribution-489@lindico453.srv.lu.se
DESCRIPTION:Speakers: Bamin Khomami (Chemical & Biomolecular Engineering\,
  The University of Tennessee\, USA)\nQuantitative understanding of the inf
 luence of environmental variables on the dynamic evolution of microstructu
 re in polymeric fluids plays a central role in soft matter physics as well
  as the processing of a wide variety of soft materials. Atomistic simulati
 on via non-equilibrium molecular dynamics (NEMD) offer a viable alternativ
 e to experiment wherein the dynamics of individual macromolecules can be t
 racked independently\, thus allowing for relevant calculations of their si
 ngle-chain configurational properties as well as the individual chain cont
 ributions to bulk-average properties. Specifically\, large scale NEMD simu
 lation results of entangled polymeric fluids allow examination of the fund
 amental tenants of reputation/ tube based theories including calculation o
 f essential variables such as the tube orientation tensor\, tube stretch\,
  and disengagement and Rouse times.\nIn this presentation\, I will briefly
  review the progress made in fundamental understanding of non-equilibrium 
 dynamics of polymeric melts as well as the remaining challenges in develop
 ment of a unified approach for quantitative prediction of dynamics of this
  class of fluids in processing flows commonly used to produce structural a
 nd functional soft materials. Specifically\, I will discuss\, Non-Equilibr
 ium Molecular Dynamics Simulations (NEMD) results of linear monodisperse e
 ntangled macromolecular melts in shear and extensional flows that depict e
 xistence of new phenomena that challenges the fundamental tenants of reput
 ation/tube based theories and models used to describe fast flow of entangl
 ed polymeric fluids. In turn\, the intricate connection between single cha
 in dynamics and the macroscopic response of this class of fluids including
  the intriguing phenomena of shear banding and configurational microphase 
 separation in planar extensional flows will be discussed.\nAcknowledgments
 : Financial support was provided by the National Science Foundation under 
 Grant No. CBET-1602890.Computational resources for this project were provi
 ded by allocation of advanced computational resources by the National Inst
 itute for Computational Sciences (NICS) and the Oak Ridge National Laborat
 ory Joint Institute for Computational Sciences. This work also used the Ex
 treme Science and Engineering Discovery Environment (XSEDE)\, which is sup
 ported by National Science Foundation grant number ACI-1548562/TG-CTS15005
 4.\n\nhttps://lindico453.srv.lu.se/event/67/contributions/489/
LOCATION:Elite Hotel Ideon Tera
URL:https://lindico453.srv.lu.se/event/67/contributions/489/
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