RT Journal Article ID 2a192003523e06e8 A1 Mrozek, Adam T1 BASIC MECHANICAL PROPERTIES OF 2H AND 1T SINGLE-LAYER MOLYBDENUM DISULFIDE POLYMORPHS. A SHORT COMPARISON OF VARIOUS ATOMIC POTENTIALS JF International Journal for Multiscale Computational Engineering JO JMC YR 2019 FD 2019-07-12 VO 17 IS 3 SP 339 OP 359 K1 single-layered molybdenum disulfide K1 2H and 1T phases K1 2D materials K1 molecular dynamics K1 atomic potentials K1 mechanical properties K1 stress-strain relations AB So-called two-dimensional (2D) materials play important roles in recent research and industrial applications due to their interesting mechanical, electronic, and optoelectronic properties. The single-layer MoS2 (SLMoS2) is one of them. The basic properties such as elastic constants, Young's moduli, and the stress–strain relations of the 2H and 1T SLMoS2 phases were obtained using energy minimization and molecular dynamics with Stillinger-Weber, REBO, and ReaxFF potentials. Comparison and discussion of the achieved results is presented. PB Begell House LK https://www.dl.begellhouse.com/journals/61fd1b191cf7e96f,1f2eb33d0844859f,2a192003523e06e8.html