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2 years ago

K. Tokar

K. Tokar

INTRODUCTION METHODS

INTRODUCTION METHODS RESULTS DISCUSSION CONCLUSIONUnit cell parameters of Wadsleyite II – pressure dependenceLattice parameters3 rd – order Birch­Murnaghan EOSK = 160.1 GPa K' = 4.3Comparison of lattice constants(Smyth et al. (2005))Wadsl. II a [Å] b [Å] c [Å]Wadsl. II H 2O wt% K (GPa) K'10.56 GPa a)5.583 28.426 8.056anhydrous a)­ 167±10 ­10.00 GPa b) 5.654 28.322 8.105hydrous a)2.1 151±6 6±2.50.00 GPa b) 5.749 28.791 8.2892.8 145.6±2.8 6.1±0.7a) exper. Smyth et al.,Phys.Chem.Mineral 31,691 (2005)b) calc. Tokár et al.,J.Phys.: Condens. Matter 22,145402 (2010)Comparison of bulk modulithis study b)­ 160.1 4.36

INTRODUCTION METHODS RESULTS DISCUSSION CONCLUSIONLattice stability of the Wadsleyite II at high pressure (calculation)uExternal pressure: P=(0­20 GPa)210 phonon vibration modesSynthesis at ~17.5­18.5 GPaPhonon dispersion curves: No soft phonon behaviorConclusion:Crystal of wadsleyite II has mechanically stable structure7

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