Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Strengthening and Weakening by Dislocations in Monolayer MoS2   Dislocations govern the properties of any crystals. Yet, how dislocation of
pentagonheptagon (5|7) in grain boundaries (GBs) affects the mechanical
properties of two-dimensional MoS2 crystals remains poorly known. Using
atomistic simulations and continuum disclination dipole model, we show that,
depending on the tilt angle and 5|7 dislocation arrangement, MoS2 GB strength
can be enhanced or reduced with tilt angle. For zigzag-tilt GBs primarily
composed of Mo5|7+S5|7 dislocations, GB strength monotonically increases as the
square of tilt angle. For armchair-tilt GBs with Mo5|7 or S5|7 dislocations,
however, the trend of GB strength breaks down as 5|7 dislocations are
non-evenly spaced. Moreover, mechanical failure initiates at the bond shared by
5|7 rings, in contrast to graphene where failure occurs at the bond shared by
6|7 rings. This work provides new insights into mechanical design of synthetic
transition metal dichalcogenide crystals via dislocation engineering.

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The categories of this paper are: adap-org
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The categories of this paper are: q-fin
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The categories of this paper are: nucl-ex
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The categories of this paper are: quant-ph
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The categories of this paper are: plasm-ph
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The categories of this paper are: nucl-th
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The categories of this paper are: hep-th
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The categories of this paper are: math
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The categories of this paper are: q-alg
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The categories of this paper are: math-ph
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The categories of this paper are: mtrl-th
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The categories of this paper are: atom-ph
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The categories of this paper are: comp-gas
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The categories of this paper are: nlin
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The categories of this paper are: bayes-an
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The categories of this paper are: dg-ga