1. APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION Open Access Author: Kamat, Amar Title: APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION Graduate Program: Mechanical Engineering Keywords: laser induced incandescencesootreaxffmolecular dynamicsaccommodation coefficients File: Download Kamat_Thesis_Feb7.pdf Committee Members: Prof Adri Van Duin, Thesis Advisor/Co-AdvisorAdrianus C Van Duin, Thesis Advisor/Co-Advisor
2. APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS Open Access Author: Singhai, Shashank Title: APPLICATION OF THE REAXFF MOLECULAR SIMULATION METHOD FOR INVESTIGATING HYPERGOLICITY OF ENERGETIC IONIC LIQUIDS Graduate Program: Mechanical Engineering Keywords: ionic liquidenergetichypergolicsimulationReaxffmolecular dynamicscombustion File: Download S_Singhai-MSThesis-Fall2010.pdf Committee Members: Prof Adri Van Duin, Thesis Advisor/Co-AdvisorAdrianus C Van Duin, Thesis Advisor/Co-Advisor
3. Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst Open Access Author: Joshi, Kaushik Title: Development and application of Reaxff reactive force field for hydrocarbon cracking on an aluminosilicate zeolite catalyst Graduate Program: Mechanical Engineering Keywords: molecular dynamicsreactive force fieldhydrocarbon cracking File: Download Kaushik_Thesis.pdf Committee Members: Adrianus C Van Duin, Dissertation Advisor/Co-AdvisorRichard A Yetter, Committee MemberMd Amanul Haque, Committee MemberMichael John Janik, Committee Member
