Exploring the interfacial thermal resistance and mechanical properties of hybrid C3N–BC3
Küçük Resim Yok
Tarih
2022
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Applied Physics A
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Present study focuses on the interfacial thermal resistance (ITR) and mechanical properties of hybrid C3N–BC3 structure utilizing molecular dynamics (MD) simulation. According to the results, various vacancy atoms types (B, N and C) dramatically afect the ITR of hybrid C3N–BC3. As the vacancy defects are positioned throughout the entire or interface of hybrid C3N–BC3 structure, the ITR of hybrid C3N–BC3 rises. The infuence of C atom vacancy defect on the ITR of hybrid C3N–BC3 is higher compared to others. In addition, the vacancy defects located along the interface have more efect on the ITR than those located throughout the entire of hybrid C3N–BC3. Uniaxial tensile test results indicated that hybrid C3N– BC3 demonstrates high mechanical properties. The mechanical properties of hybrid C3N–BC3 are conducted for diferent temperatures and strain rates varying between 1–1200 K and 107 –109 s ?1, respectively. As temperature falls to 1 K and the strain rate rises to 109 s ?1, the mechanical properties of this hybrid structure gradually increase. At high temperature, the strain rate infuences on the mechanical properties of hybrid C3N–BC3 are more pronounced. Furthermore, the infuences of temperatures on the mechanical properties of hybrid C3N–BC3 increase at low strain rate. The mechanical properties of hybrid C3N–BC3 structure are examined with B, N and C atoms vacancy defects positioned throughout the entire of structure. When the concentrations of defects rise to 3%, the mechanical properties of defective hybrid C3N–BC3 decrease. C atom vacancy defect shows the most efect on the mechanical properties, while B atom vacancy defect indicates the least efect. Furthermore, the vacancy defects located throughout the interface have less efect on the mechanical properties than the ITR. Finally, the results of this study make aforementioned structure a splendid competitor for thermo-mechanical practice of 2D-based hybrid structures.
Açıklama
Anahtar Kelimeler
Molecular dynamics, Hybrid C3N–BC3, Interfacial thermal resistance, Mechanical properties
Kaynak
Applied Physics A
WoS Q Değeri
Q2
Scopus Q Değeri
Cilt
128
Sayı
638
Künye
Şentürk, A.E. (2022). Exploring the interfacial thermal resistance and mechanical properties of hybrid C3N–BC3. Applied Physics A, 128(638), p.1-11.
