RT Journal Article ID 0b1e9156560400f7 A1 Mrozek, Adam A1 Kus, Waclaw A1 Burczynski, Tadeusz T1 METHOD FOR DETERMINING STRUCTURES OF NEW CARBON-BASED 2D MATERIALS WITH PREDEFINED MECHANICAL PROPERTIES JF International Journal for Multiscale Computational Engineering JO JMC YR 2017 FD 2017-10-19 VO 15 IS 5 SP 379 OP 394 K1 2D atomic structures K1 graphenelike materials K1 hybrid algorithm K1 evolutionary algorithm K1 mechanical properties AB The following article presents the description and application of an algorithm for optimal searching for the new stable atomic arrangements of two-dimensional graphenelike carbon lattices with predefined mechanical properties. The proposed method combines the evolutionary algorithm and the conjugate-gradient optimization. The main goal of the optimization is to find stable arrangements of carbon atoms placed in the unit cell with imposed periodic boundary conditions, which reveal desired mechanical properties. Examples of the newly obtained models of the flat, carbon materials are presented. Their mechanical properties are additionally validated during the simulation of the tensile tests using molecular dynamics. PB Begell House LK https://www.dl.begellhouse.com/journals/61fd1b191cf7e96f,4a44b2ba14ea7133,0b1e9156560400f7.html