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We have performed first-principles calculations of graphene edge stresses, which display two interesting quantum manifestations absent from the classical interpretation: the armchair edge stress oscillates with a nanoribbon width, and the zigzag edge stress is noticeably reduced by spin polarization. Such quantum stress effects in turn manifest in(More)
Recently developed three-layer-mesh bridging domain method (TBDM) enhanced the conventional bridging domain method (BDM) by (1) mitigating the temperature cooling effect on the atoms in the bridging domain, and (2) employing a mesh-independent physics-based discrimination between thermal and mechanical atomic motions. In this paper, we present the new(More)
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