"Higher-Energy Structures and Stability of Cu and Al Crystals Along Displacive Transformation Paths" . "Higher-Energy Structures and Stability of Cu and Al Crystals Along Displacive Transformation Paths"@en . . "RIV/00216305:26210/05:PU51482!RIV06-GA0-26210___" . . "Journal of Computer-Aided Materials Design" . . . . . "Elastic stability, displacive transformation paths, ab initio calculations, semi-empirical interatomic potentials"@en . "Stabilita z\u00E1kladn\u00EDho stavu a f\u00E1z\u00ED s vy\u0161\u0161\u00ED energi\u00ED Cu a Al, kter\u00E9 se nachaz\u00ED pod\u00E9l tetragon\u00E1ln\u00EDch (bcc-fcc), trigon\u00E1ln\u00EDch (bcc-sc-fcc) a hexagon\u00E1ln\u00EDch (bcc-hcp) transforma\u010Dn\u00EDch drah, je studov\u00E1na ab initio v\u00FDpo\u010Dty elektronov\u00E9 struktury (k\u00F3d VASP) a mnoho\u010D\u00E1sticov\u00FDmi semi-empirick\u00FDmi meziatomov\u00FDmi potenci\u00E1ly vyvinut\u00FDmi Mishinem a spol. Srovn\u00E1n\u00ED obou v\u00FDpo\u010Dt\u016F poskytuje prost\u0159edek k dal\u0161\u00ED anal\u00FDze \u00FA\u010Dinnosti potenci\u00E1l\u016F v atomistick\u00E9m modelov\u00E1n\u00ED slo\u017Eit\u011Bj\u0161\u00EDch konfigurac\u00ED, jako nap\u0159. rozs\u00E1hl\u00FDch defekt\u016F."@cs . "RIV/00216305:26210/05:PU51482" . "Struktury s vy\u0161\u0161\u00ED energi\u00ED a stabilita Cu a Al krystal\u016F pod\u00E9l transforma\u010Dn\u00EDch drah."@cs . "Higher-Energy Structures and Stability of Cu and Al Crystals Along Displacive Transformation Paths" . . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "4"^^ . "26210" . . "\u0160ob, Mojm\u00EDr" . "Boyer, Robert" . "2"^^ . "13"^^ . "0928-1045" . "Yip, Sidney" . "Stability of ground-state and higher-energy phases of Cu and Al encountered along the tetragonal (bcc-fcc), trigonal (bcc-simple cubic-fcc) and hexagonal (bcc-hcp) displacive transformation paths is studied by ab initio electronic structure calculations(ultra-soft pseudopotentials, VASP code) and by many-body semi-empirical interatomic potentials developed by Mishin et al. Comparison of these two calculations provides a means for further analysis of the efficacy of the potentials in atomistic modelingof more complicated configurations, such as extended defects." . "Struktury s vy\u0161\u0161\u00ED energi\u00ED a stabilita Cu a Al krystal\u016F pod\u00E9l transforma\u010Dn\u00EDch drah."@cs . . . "12" . . . "P(GA106/05/0274)" . . "161-173" . . "Higher-Energy Structures and Stability of Cu and Al Crystals Along Displacive Transformation Paths"@en . . "\u010Cern\u00FD, Miroslav" . "[F890B69818BB]" . "12" . "Stability of ground-state and higher-energy phases of Cu and Al encountered along the tetragonal (bcc-fcc), trigonal (bcc-simple cubic-fcc) and hexagonal (bcc-hcp) displacive transformation paths is studied by ab initio electronic structure calculations(ultra-soft pseudopotentials, VASP code) and by many-body semi-empirical interatomic potentials developed by Mishin et al. Comparison of these two calculations provides a means for further analysis of the efficacy of the potentials in atomistic modelingof more complicated configurations, such as extended defects."@en . . "523295" .