1. STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS Open Access Author: Rahnamoun, Ali Title: STUDY OF PERFORMANCE AND CHARACTERISTICS OF MATERIALS UNDER EXTREME ENVIRONMENT USING THE REAXFF REACTIVE MOLECULAR DYNAMICS SIMULATIONS Graduate Program: Mechanical Engineering Keywords: Molecular DynamicsReaxFFMaterial SimulationExtreme Environment File: Download thesis_revised_after_defense.pdf Committee Members: Adrianus C Van Duin, Dissertation Advisor/Co-Advisor
2. Theory of Thermodynamics and Kinetics of Benzene Adsorption on Ag(111) Open Access Author: Mubin, Shafat A Title: Theory of Thermodynamics and Kinetics of Benzene Adsorption on Ag(111) Graduate Program: Physics Keywords: BenzeneMonolayerDesorptionAccelerated MDBond-boost MethodForce-fieldOrder-disorderAg(111)TPDSubstrate-mediated InteractionMolecular DynamicsSurface Defects File: Download Mubin-Dissertation_13Dec16.pdf Committee Members: Kristen Ann Fichthorn, Dissertation Advisor/Co-AdvisorKristen Ann Fichthorn, Committee Chair/Co-ChairMilton Walter Cole, Committee MemberJorge Osvaldo Sofo, Committee MemberAdrianus C Van Duin, Outside Member