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SUMMARY:CECAM Workshop: Metastability and multiscale effects in interfacia
 l phenomena
DTSTART:20230313T133000
DTEND:20230315T153000
DTSTAMP:20260407T014845Z
UID:06f6863c194cf2ad795da3be4473a201a3efa4672a5eb422f20ca70d
CATEGORIES:Conferences - Seminars
DESCRIPTION:Serafim Kalliadasis (Imperial College) James Lutsko (Universit
 e Libre de Bruxelles) Erik Santiso (North Carolina State University)\nYou 
 can apply to participate and find all the relevant information (speakers\,
  abstracts\, program\,...) on the event website: https://www.cecam.org/wo
 rkshop-details/38\n\nDESCRIPTION:\nTransitions between metastable states s
 eparated by energy barriers are key to many processes of practical interes
 t in chemistry\, engineering\, materials science and physics. First-order 
 phase transitions between solid\, liquid and gaseous states are amongst th
 e most obvious examples and are critical in such wide-ranging phenomena as
  the production of pharmaceuticals [1\,2]\, the function of the malaria pa
 rasite [3]\, and cloud and polar cap formation [4\,5]. The wetting of both
  smooth and textured surfaces\, the diffusion of adatoms on surfaces and t
 he role of bubble cavitation in damage to marine propellers [6] are just a
  few of the engineering applications.\nThe common thread running through t
 hese diverse problems is their multiscale nature which creates unique chal
 lenges for experiment\, simulation and theory. Experimentally\, the early 
 stages of these processes - nucleation\, wetting\, etc. - typically occur 
 at the nanoscale and isolating them is difficult. Recent advances such as 
 the use of cryo-TEM in ref. [2] are beginning to give insight at this fund
 amental level. In contrast\, atomistic and ab initio simulations give dire
 ct insight to the nanoscale but the problem for them is that the system si
 zes and timescales are small\, compared to experimental (macroscopic) cond
 itions. This is the case for instance with chemical reactions (typically i
 nvolving a transition from a higher to a lower energy state separated by a
  barrier) and associated calculation of the pathways and rates.\nTo overco
 me these limitations\, a collection of rare-event techniques have been dev
 eloped over the last 25 years such as the nudged elastic band and string m
 ethods among others to study such transitions. At the same time\, attentio
 n in individual applications has focused on issues such as the definition 
 of unbiased collective variables. Theoretically\, the challenge has been t
 hat mesoscale approaches (such as the Landau theory of phase transitions) 
 lack molecular-level detail while microscopic tools like classical density
  functional theory have not been sufficiently robust. However\, recent adv
 ances in the latter now allow for the molecular-level description of highl
 y inhomogeneous systems\, such as wetting of heterogeneous substrates [7] 
 so that\, in combination with other frameworks such as fluctuating hydrody
 namics\, a complete microscopic theory\, e.g. of crystal nucleation\, is f
 easible [8].\n \nReferences\n[1] R. Alberstein\, F. Tezcan\, Nature\, 55
 6\, 41-42 (2018)\n[2] A. Van Driessche\, N. Van Gerven\, P. Bomans\, R. Jo
 osten\, H. Friedrich\, D. Gil-Carton\, N. Sommerdijk\, M. Sleutel\, Nature
 \, 556\, 89-94 (2018)\n[3] K. Olafson\, T. Nguyen\, J. Rimer\, P. Vekilov
 \, Proc. Natl. Acad. Sci. USA.\, 114\, 7531-7536 (2017)\n[4] J. Carstens\
 , Advances in Colloid and Interface Science\, 10\, 285-314 (1979)\n[5] C.
  Knight\, Advances in Colloid and Interface Science\, 10\, 369-395 (1979)
 \n[6] Cavitation and Bubble Dynamics\, Brennen C. E.\, Oxford University P
 ress\, 1995\n[7] P. Yatsyshin\, A. Parry\, S. Kalliadasis\, J. Phys.: Cond
 ens. Matter\, 28\, 275001 (2016)\n[8] J. Lutsko\, Sci. Adv.\, 5\, (2019)
LOCATION:BCH 2103 https://plan.epfl.ch/?room==BCH%202103
STATUS:CONFIRMED
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