Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Modeling solvent evaporation during thin film formation in phase separating polymer mixtures... Bulk and Surface Morphologies of ABC Miktoarm Star Terpolymers Composed of PDMS, PI, and PMMA Arms... Building with ions: towards direct write of platinum nanostructures using in situ liquid cell helium ion microscopy Non-Transition-Metal Catalytic System for N2 Reduction to NH 3 : A Density Functional Theory Study of Al-Doped Graphene... Molecular Dynamics Investigation of the Relaxation Mechanism of Entangled Polymers after a Large Step Deformation... Chemical nature of ferroelastic twin domains in CH3NH3PbI3 perovskite Molecular Dynamics Investigation of the Relaxation Mechanism of Entangled Polymers after a Large Step Deformation Theoretical investigations of electrical transport properties in CoSb3 skutterudites under hydrostatic loadings... Structure-induced switching of interpolymer adhesion at a solid–polymer melt interface... A physical catalyst for the electrolysis of nitrogen to ammonia Influence of Chain Rigidity and Dielectric Constant on the Glass Transition Temperature in Polymerized Ionic Liquids... Relevance of the Nuclear Quantum Effects on the Proton/Deuteron Transmission through Hexagonal Boron Nitride and Graphene Mon... Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials... Ionic liquids-mediated interactions between nanorods... Ionic liquids-mediated interactions between nanorods... Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design... Interlayer bond polarizability model for stacking-dependent low-frequency Raman scattering in layered materials... Development and Modeling of a Novel Self-Assembly Process for Polymer and Polymeric Composite Nanoparticles... O-Functionalized CNT Mediated CO Hydro-Deoxygenation and Chain Growth... Building with ions: towards direct write of platinum nanostructures using in situ liquid cell helium ion microscopy... PdSe2: Pentagonal 2D Layers with High Air Stability for Electronics... Effects of counterion size and backbone rigidity on dynamics of ionic polymer melts and glasses... Building with ions: towards direct write of platinum nanostructures using in situ liquid cell helium ion microscopy... Attraction between Opposing Planar Dipolar Polymer Brushes... Multi-mode humidity sensing with water-soluble copper phthalocyanine for increased sensitivity and dynamic range... Pagination First page « First Previous page ‹‹ … Page 7 Current page 8 Page 9 … Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID Organizations Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory & Computation Section Nanomaterials Theory Institute Group Data NanoAnalytics Group