Abstract DeBoer

Gary DeBoer, Professor of Chemistry, Department of Physics and Chemistry,

LeTourneau University, Longview, TX. GaryDeBoer@letu.edu



Steve W. Martin, Distinguished Professor, University Professor, Full Professor, Department of Materials Science & Engineering, Iowa State University, Ames, IA. swmartin@iastate.edu

Richard LeSar, Lynn Gleason Professor of Interdiscipinary Engineering, Materials Science and Engineering, Iowa State University, Ames, IA. lesar@iastate.edu 

Cristian Balbuena, Universidad Nacional del Sur, Departmento de Quimica INQUISUR,

Bahia Blanca, Argentina. pelo_84@hotmail.com



Molecular Dynamics Simulation of Lithium Metasilicate Glasses and Liquids



Improvements in energy storage are needed to take advantage of alternative energy sources such as wind and solar and to better enable electric vehicles.  The development of solid state lithium-ion batteries to replace the current liquid organic based lithium-ion batteries may offer a ten-fold increase in energy density, exceeding that of current liquid petroleum based fuels.  Modeling glass structure and ion mobility in glass electrolytes is needed to aid the development of the next generation of solid state lithium-ion batteries.  The speaker will focus on the use of LAMMPS, as a molecular dynamics approach, providing an overview of the methodology and presentation of initial results and future goals in modeling the Li2SiO3 system.  The use of LAMMPS to study ionic mobility and glass structures appears to be a promising tool in the effort to make a more perfect lithium-ion battery.