About this Abstract |
Meeting |
MS&T24: Materials Science & Technology
|
Symposium
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Controlled Synthesis, Processing, and Applications of Structural and Functional Nanomaterials
|
Presentation Title |
Atomistic Simulation Insights into the Structural and Thermodynamic Properties of CuZr Metallic Glass Nanoparticles |
Author(s) |
Xuezhen Ren, Suyue Yuan, Emily Gurniak, Paulo Branicio |
On-Site Speaker (Planned) |
Paulo Branicio |
Abstract Scope |
Metallic glass nanoparticles (MG NPs) display unique size-dependent characteristics that are not fully understood. This study investigates Cu<sub>64</sub>Zr<sub>36</sub>MG NPs with diameters ranging from 1 to 20 nm, synthesized via molecular dynamics simulations by rapid cooling from the liquid state at 10<sup>9</sup> K/s. The investigation reveals that the NPs are enveloped in a copper-rich outer layer, whose thickness correlates positively with particle size. Additionally, the study assesses the melting behavior of these MG NPs by applying varying heating rates, from 10<sup>11</sup> to 10<sup>13</sup> K/s, to determine their melting points. Notably, nanoparticles below 10 nm exhibit a marked reduction in solidus temperature. Furthermore, a higher proportion of Cu full icosahedra motifs is found within smaller nanoparticles, which correlates with increased strength and hardness. These results advance the understanding of MG NPs and guide the development of novel heterogeneous metallic nanoglass materials, exploiting the distinctive size-dependent properties of MG NPs. |