1. STUDYING THE UNDERLYING MECHANISMS OF NANOPARTICLE ASSEMBLY AND ATTACHMENT: INSIGHTS FROM MONTE CARLO AND MOLECULAR DYNAMICS SIMULATIONS Restricted (Penn State Only) Author: Jahanmahin, Omid Title: STUDYING THE UNDERLYING MECHANISMS OF NANOPARTICLE ASSEMBLY AND ATTACHMENT: INSIGHTS FROM MONTE CARLO AND MOLECULAR DYNAMICS SIMULATIONS Graduate Program: Chemical Engineering (PHD) Keywords: Directed self-assemblysemiconductorinsulatorMonte Carlo simulationCOMSOL simulationsurface element integrationDielectrophoresis (DEP)Oriented Attachment (OA)Atomic-scale investigationsRare event samplingUmbrella samplingMD simulationIn silico studiesReactive force field (ReaxFF)Gold nanowire (NW) self-assemblyNanoparticle assemblySurface element integration (SEI)SemiconductorInsulatorDielectric particles File: Login to Download Committee Members: Kristen Fichthorn, Chair & Dissertation AdvisorChristine Keating, Outside Unit & Field MemberDarrell Velegol, Major Field MemberSeong Kim, Professor in Charge/Director of Graduate StudiesThemis Matsoukas, Major Field Member
