سقای‌ژیان, محمد

[ 1 ] - بررسی کوانتمی و توصیف توپولوژی رفتار مکانیکی فلزات مس، نقره و طلا

 Mechanical properties and stress-strain curves of Cu, Ag and Au single crystals are calculated using ab initio methods. Elastic and Plastic regions are scrutinized. Yield stress and slope of these curves can shed light on brittlenesss and ductility of these metals that prove Cu, despite its high ultimate tensile strength, is less ductile than Au and Ag. Analysis of topology of charge density a...