【摘 要】
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The thermal stabilities of silver nanowires(AgNWs)with the radius ranging from 1.6 to 20 nm were investigated by molecular dynamics(MD)simulations during th
【机 构】
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Department of Mechanical and Electro-Mechanical Engineering,National Sun Yat-sen University,Taiwan,K
【出 处】
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The 6th International Conference on Nanoscience and Technolo
论文部分内容阅读
The thermal stabilities of silver nanowires(AgNWs)with the radius ranging from 1.6 to 20 nm were investigated by molecular dynamics(MD)simulations during the temperature elevation process from 0 to 1500 K.The penta-twinned structures of AgNWs were established on the basis of the experimental observation [1].For evaluating the reliability of potential functions(embedded-atom potentials and 2nn-modified embedded-atom potentials)on the thermal stability,two-phase method [2] was first used to get the melting point of bulk Ag,and the simulation results indicate the 2nn-modified embedded-atom(MEAM-2nn [3])potential is the best one to reflect the thermal behavior of bulk Ag.For mechanical properties,the predicted elastic constants(C11,C22,and C44)by the MEAM-2nn potential are also close to the corresponding experimental values.By using the MEAM-2nn potential,the size effect on the thermal properties of AgNWs was investigated.In the range of size-effect,the melting point of AgNWs dropped with the size of nanowires decreased.
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