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SUMMARY:IMX Seminar Series - Porous Materials
DTSTART:20221024T131500
DTEND:20221024T141500
DTSTAMP:20260528T031109Z
UID:7ece3161c4265c1e3f8e1d9db5745a2d64c1acaef55af8d6b758a99a
CATEGORIES:Conferences - Seminars
DESCRIPTION:Dr. Roland Pellenq\, CNRS Marseille\, France\nWe investigated 
 the formation and mechanical\, transport\, aging… properties of multi-sc
 ale materials such as clays\, cement\, geopolymer\, charcoals...\n\nConcer
 ning length-scales\, I will introduce the concept of Potential of Mean For
 ce\, PMF\,as a way to implement upscaling modeling from the nano-scale to 
 micron-scale. As regards to time scales\, I will introduce metadynamics co
 ncepts as a way to implement upscaling modelling from the time scale of th
 e elementary chemical reaction to geological time scales.\n\nA PMF is a fr
 ee energy function representing in an effective way the interactions betwe
 en objects (cement hydrates\, clay platelets\, etc.) at thermodynamics con
 ditions. The PMF is therefore the key piece of information allowing to coa
 rse-grained Physical Chemistry information in a meso-scale model formulati
 on. The use of PMF offers a huge computational advantage as it allows a st
 raight up-scaling to the meso-scale while keeping essential interactions i
 nformation that are the hallmark of Physical Chemistry processes. Such a c
 oarse-grained modeling integrates atomistic response into inter-particle p
 otentials that fully propagate molecular scale information all the way to 
 the meso-scale.\n\nConcerning time scales\, I will introduce the reactive 
 replica exchange molecular dynamics (RExMD) to investigate the geological 
 conversion of two important classes of gas-forming constituents of terrest
 rial organic matter (lignin and cellulose) into charcoal. This conversion 
 takes place over a time window of hundreds of millions of years and has so
  far remained a no man’s land to theoreticians. Using reactive molecular
  dynamics and the RExMD framework\,  I will show that one can now simulat
 e the full transformation of cellulose and lignin into charcoal and its as
 sociated fluid phase under prevailing geological conditions.\n\nBio: Rolan
 d Pellenq is Director of Research at CNRS\, the French Government Agency f
 or Scientific Research at the EPiDaPo George Washington / CNRS joint labor
 atory and a Visiting Professor in the department of Physics at Georgetown 
 University in Washington DC. Roland Pellenq is a computational materials s
 cientist with a strong interest in the physics and mechanics of micro- and
  nanoporous materials and confined fluids. After a Master in Plasma Physic
 s from Aix-Marseille University (France)\, He obtained a PhD in Chemical P
 hysics from Imperial College London (UK) in 1994 and received his Habilita
 tion degree in Physics from the University of Orléans (France) in 2000. R
 oland Pellenq's research is dedicated to the development of bottom-up simu
 lation approaches (starting at an atomistic level of description) for a la
 rge variety of critical problems in energy and environment\, ranging from 
 hydrogen and CH4 storage\, CO2 sequestration\, shale gas to fundamentals o
 f cement and concrete research and more recently on Urban Physics. R. Pell
 enq is the author or co-author of 250+ papers published in major peer revi
 ewed scientific journals. He was the founder and head of the MIT-CNRS join
 t laboratory "Multi-Scale Material Science for Energy and Environment" loc
 ated at MIT. (2012-2020). He now leads a research effort on Urban Physics 
 linking city texture as seen through the prism of Statistical Physics and 
 applied to environmental\, public health and climate challenges named COMP
 LEX-Cities.\n\nR. Pellenq received a number of research awards that includ
 e the  Prix Special du Jury\, Trophées de l’Innovation from Aix-Marsei
 lle University in 2019 \; the Research Medal of the European Geomechanics 
 association ALERT in 2018 \; The Appreciation award of the Engineering Mec
 hanical Institute (EMI) of the US for his outstanding service to the commu
 nity in the US and outside and dedication in 2017 \; the Young Researcher 
 Award at the French Festival des Sciences et des Technologies in 2003 and 
 the Young Researcher Award of the Division de Physique-Chimie of the Soci
 été Française de Physique in 2002.\n 
LOCATION:MXF 1 https://plan.epfl.ch/?room==MXF%201
STATUS:CONFIRMED
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