iMechanica - Stone-Thrower-Wales defects
https://imechanica.org/taxonomy/term/7717
enComparing the effects of dispersed STW defects & double vacancies on the thermal conductivity of graphene nanoribbons
https://imechanica.org/node/13070
<div class="field field-name-taxonomy-vocabulary-6 field-type-taxonomy-term-reference field-label-hidden"><div class="field-items"><div class="field-item even"><a href="/taxonomy/term/76">research</a></div></div></div><div class="field field-name-taxonomy-vocabulary-8 field-type-taxonomy-term-reference field-label-hidden"><div class="field-items"><div class="field-item even"><a href="/taxonomy/term/93">molecular dynamics</a></div><div class="field-item odd"><a href="/taxonomy/term/671">graphene</a></div><div class="field-item even"><a href="/taxonomy/term/4216">large scale molecular dynamics</a></div><div class="field-item odd"><a href="/taxonomy/term/6116">graphene nano-ribbon</a></div><div class="field-item even"><a href="/taxonomy/term/6375">graphene sheet</a></div><div class="field-item odd"><a href="/taxonomy/term/6436">Molecular Dynamics (MD)</a></div><div class="field-item even"><a href="/taxonomy/term/6895">molecular dynamics simulation</a></div><div class="field-item odd"><a href="/taxonomy/term/7331">Reverse non-equilibrium molecular dynamics</a></div><div class="field-item even"><a href="/taxonomy/term/7333">Thermal conductivity</a></div><div class="field-item odd"><a href="/taxonomy/term/7717">Stone-Thrower-Wales defects</a></div></div></div><div class="field field-name-body field-type-text-with-summary field-label-hidden"><div class="field-items"><div class="field-item even"><p>
<a href="http://iopscience.iop.org/0957-4484/23/38/385702/">http://iopscience.iop.org/0957-4484/23/38/385702/</a>
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Classical molecular dynamics with the AIREBO potential is used to investigate and compare the thermal conductivity of both zigzag and armchair graphene nanoribbons possessing various densities of Stone–Thrower–Wales (STW) and double vacancy defects, within a temperature range of 100–600 K. Our results indicate that the presence of both kinds of defects can decrease the thermal conductivity by more than 80% as defect densities are increased to 10% coverage, with the decrease at high defect densities being significantly higher in zigzag compared with armchair nanoribbons. Variations of thermal conductivity in armchair nanoribbons were similar for both kinds of defects, whereas double vacancies in the zigzag nanoribbons led to more significant decreases in thermal conductivity than STW defects. The same trends are observed across the entire temperature range tested.
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</div></div></div>Wed, 05 Sep 2012 06:24:05 +0000Jingjie Yeo13070 at https://imechanica.orghttps://imechanica.org/node/13070#commentshttps://imechanica.org/crss/node/13070A molecular dynamics study of the thermal conductivity of graphene nanoribbons containing dispersed Stone–Thrower–Wales defects
https://imechanica.org/node/12779
<div class="field field-name-taxonomy-vocabulary-6 field-type-taxonomy-term-reference field-label-hidden"><div class="field-items"><div class="field-item even"><a href="/taxonomy/term/76">research</a></div></div></div><div class="field field-name-taxonomy-vocabulary-8 field-type-taxonomy-term-reference field-label-hidden"><div class="field-items"><div class="field-item even"><a href="/taxonomy/term/93">molecular dynamics</a></div><div class="field-item odd"><a href="/taxonomy/term/671">graphene</a></div><div class="field-item even"><a href="/taxonomy/term/7331">Reverse non-equilibrium molecular dynamics</a></div><div class="field-item odd"><a href="/taxonomy/term/7333">Thermal conductivity</a></div><div class="field-item even"><a href="/taxonomy/term/7717">Stone-Thrower-Wales defects</a></div></div></div><div class="field field-name-body field-type-text-with-summary field-label-hidden"><div class="field-items"><div class="field-item even"><p align="justify">
<a href="http://dx.doi.org/10.1016/j.carbon.2012.06.017"><em><strong>http://dx.doi.org/10.1016/j.carbon.2012.06.017</strong></em></a>
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<span>Classical molecular dynamics with the AIREBO potential is used to investigate the thermal conductivity of both zigzag and armchair graphene nanoribbons possessing different densities of Stone–Thrower–Wales (STW) defects. Our results indicate that the presence of the defects can decrease thermal conductivity by more than 50%. The larger the defect density, the lower the conductivity, with the decrease significantly higher in zigzag than in armchair nanoribbons for all defect densities. The effect of STW defects in the temperature range 100–600 K was also determined. Our results showed the same trends in thermal conductivity decreases at all temperatures. However, for higher defect densities there was less variation in thermal conductivity at different temperatures.</span>
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</div></div></div>Sun, 15 Jul 2012 02:46:04 +0000Jingjie Yeo12779 at https://imechanica.orghttps://imechanica.org/node/12779#commentshttps://imechanica.org/crss/node/12779Error | iMechanica