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Modeling Spectra of Solid Methane By Linda Henneberg Mentor: Dr. Kris Andersen Northern Arizona University SpaceGrant Symposium April 2009
Outline Why is modeling methane important? Getting to know solid methane Methods and procedure Data and results Future work
Why is this important? Only way to gather information about astronomical objects. Image from:
Methane Image from: e:Methane-3D-balls.png CH 4 Bond angle is o H H H HC
Phase II Image from: I. Nakahata, et al. (1999) Jmol:
Methods Generalized gradient approximation (PBE) 6x6x6 k-point grid Latin for “first principles” 400 eV cutoff energy
Data and Analysis a = 4.65 ang
Future Work Find the lattice constant for phase II methane Analyze the vibrational spectra – Compare to experiments and observations Repeat the process for nitrogen
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