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SUMMARY:CMSP Seminar (Atomistic Simulation Seminar Series): From Structure
  to Dynamics: Phase Transitions and Emergent Properties  at Moiré Interfa
 ces
DTSTART;VALUE=DATE-TIME:20260708T090000Z
DTEND;VALUE=DATE-TIME:20260708T100000Z
DTSTAMP;VALUE=DATE-TIME:20260705T162832Z
UID:indico-event-11398@ictp.it
DESCRIPTION:\n	Jin Wang\n	(ICTP)\n	 \n\nAbstract:\n\n	Moiré interfaces\,
  formed by twisting or lattice mismatch between crystalline surfaces\, pro
 vide a unique platform where structural degrees of freedom are significant
 ly amplified. While their electronic properties have been extensively expl
 ored\, the role of structural transitions and their impact on mechanical a
 nd non-equilibrium behaviors remain less understood.\n	A systematic atomis
 tic framework is presented to classify and understand three types of struc
 tural phase transitions in moiré systems\, each governed by a distinct de
 gree of freedom. These transitions are investigated using a combination of
  large-scale molecular dynamics and quasi-static simulations based on empi
 rical potentials\, complemented by density functional theory\, non-equilib
 rium transport calculations\, and Landau-type mean-field theories\, enabli
 ng a consistent description across multiple scales.\n	First\, releasing th
 e normal degree of freedom--typically frozen by substrate support--leads f
 reestanding 2D material bilayers to undergo a universal moiré buckling tr
 ansition [1-2]. The transition and its spatial periodicity are driven by i
 ntrinsic stress fields within the moiré superlattice\, resulting in a var
 iety of emergent mechanical and electronic responses. Second\, an Aubry-ty
 pe transition emerges among incommensurate 2D bilayers [3]\, leading to pi
 nning and marking the breakdown of superlubric sliding [4]. Here too we es
 tablish a unified phase diagram in terms of twist angle\, in-plane elastic
 ity\, and interfacial interactions. Third\, a distinct load-induced Aubry-
 type transition arises in twisted grain boundaries of 3D metals such as go
 ld [5-6]\, where it produces first-order locking\, accompanied by abrupt c
 hanges in friction\, thermal transport\, and electronic conduction.\n	Thes
 e results exemplify a unified picture in which structural degrees of freed
 om serve as key control parameters linking interfacial structure\, dissipa
 tion\, and transport\, also interesting for designing low-dissipation and 
 reconfigurable nanoscale systems.\n	 \n	[1] Jin Wang\, and Erio Tosatti. 
 Universal Moiré Buckling of Freestanding 2D Bilayers. PNAS 121\, e2418390
 121 (2024).\n	[2] Jin Wang\, et al.\, Bending Stiffness Collapse\, Bucklin
 g\, Topological Bands of Freestanding Twisted Bilayer Graphene. Phys. Rev.
  B 108\, L081407 (2023).\n	[3] Jin Wang\, and Erio Tosatti. Aubry Pinning 
 Transition of Twisted Two-Dimensional Material Bilayers. Phys. Rev. B 112\
 , 155406 (2025).\n	[4] Jin Wang\, Ali Khosravi\, Andrea Vanossi and Erio T
 osatti. Colloquium: Sliding and pinning in structurally lubric 2D material
  interfaces\, Rev. Mod. Phys. 96\, 01100214 (2024).\n	 \n\n	Zoom registra
 tion link:https://zoom.us/meeting/register/j8uF4BHvS4mlGY467fB5Iw\n	 \n\n
 //indico.ictp.it/event/11398/
LOCATION:Lagrange Lecture Hall (Leonardo Building\, terrace level) and via
  Zoom
URL://indico.ictp.it/event/11398/
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