Mechanical properties and enhancement mechanisms of titanium-graphene nanocomposites

Tang, Wanhong; Zhang, Jie; Wu, Jianyang; Shao, Jinyou; Ding, Peng; Hou, Guozhen; Chen, Xiaoming

doi:10.1007/s10409-020-00968-x

Cited by 17 publications

(1 citation statement)

References 49 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The modified embedded-atom method (MEAM) potential [ 33 ] was employed to describe the atomic interactions in titanium, while the interactions between carbon atoms were described by the optimized Tersoff potential [ 34 ]. The van der Waals interactions of interlayers were modeled with Lennard–Jones (LJ) function

and the corresponding parameters are shown as σ Ti−Gr = 0.36 nm and ε Ti−Gr = 0.006535 eV [ 35 ]. The time step was set as 0.5 fs.…”

Section: Methodsmentioning

confidence: 99%

Thermal Conductance of Graphene-Titanium Interface: A Molecular Simulation

Yan

Wang

et al. 2022

Molecules

View full text Add to dashboard Cite

Titanium is a commonly used material in aviation, aerospace, and military applications, due to the outstanding mechanical properties of titanium and its alloys. However, its relatively low thermal conductivity restricts its extended usage. The use of graphene as a filler shows great potential for the enhancement of thermal conductivity in titanium-based metal-matrix composites (MMCs). We used classical molecular dynamics (MD) simulation methods to explore the thermal conductance at the titanium–graphene (Ti/Gr) interface for its thermal boundary conductance, which plays an important role in the thermal properties of Ti-based MMCs. The effects of system size, layer number, temperature, and strain were considered. The results show that the thermal boundary conductance (TBC) decreases with an increasing layer number and reaches a plateau at n = 5. TBC falls under tensile strain and, in turn, it grows with compressive strain. The variation of TBC is explained qualitatively by the interfacial atomic vibration coupling factor. Our findings also provide insights into ways to optimize future thermal management based on Ti-based MMCs materials.

show abstract

and the corresponding parameters are shown as σ Ti−Gr = 0.36 nm and ε Ti−Gr = 0.006535 eV [ 35 ]. The time step was set as 0.5 fs.…”

Section: Methodsmentioning

confidence: 99%