BEGIN:VCALENDAR VERSION:2.0 CALSCALE:GREGORIAN PRODID:iCalendar-Ruby BEGIN:VEVENT CATEGORIES:Lectures & Presentations DESCRIPTION:NQPI Seminar | Atomistic simulation of disordered materials\, F eb. 9\n\nThe NQPI Seminar series features Distinguished Professor of Physic s David Drabold discussing "Atomistic simulation of disordered materials" o n Feb. 9 at 4:10 p.m. in Clippinger 194.\n\n \n\nAbstract: After a historic al review of the development of computer simulation and especially molecula r dynamics as a tool in condensed matter science\, I directly simulate the process of graphitization – the conversion of carbonaceous materials into a graphite-like phase from heating. I show that this often produces a new ca rbon solid -- layered amorphous graphene [1]\, and extend the calculation w ith open boundary conditions to unveil the creation of “Bucky Onions” – mul tishell fullerenes [2] and nanotubes[3]. With a nod to important emerging c oncepts\, I briefly describe a Machine Learning based simulation of an exot ic pressure-induced phase transition of amorphous silicon [4] in a 100\,000 -atom system with density functional accuracy. A remarkable rapid crystalli zation (into a simple hexagonal phase) occurs near 13 GPa. I show that larg e\, accurate and temporally extended simulations are required to even detec t key processes such as the observed crystallization. DTEND:20230209T221000Z DTSTAMP:20241005T072612Z DTSTART:20230209T211000Z GEO:39.322604;-82.099286 LOCATION:Clippinger Laboratories\, 194 SEQUENCE:0 SUMMARY:NQPI Seminar | Atomistic simulation of disordered materials\, Feb. 9 UID:tag:localist.com\,2008:EventInstance_42341370477547 URL:https://calendar.ohio.edu/event/nqpi_seminar_atomistic_simulation_of_di sordered_materials_feb_9 END:VEVENT END:VCALENDAR