Atomistic simulations of mechanical properties and fracture of graphene: A review
Material properties and fracture characteristics are among the most prominent parameters
that should be considered for a wide range of graphene applications. This article reviews …
that should be considered for a wide range of graphene applications. This article reviews …
Molecular dynamics simulations of the effect of temperature and strain rate on mechanical properties of graphene–epoxy nanocomposites
In this study, the mechanical properties of graphene–epoxy nanocomposites were
investigated using experimental tests, molecular dynamics (MD) simulation and Halpin_Tsai …
investigated using experimental tests, molecular dynamics (MD) simulation and Halpin_Tsai …
Recent progress in flexible sensors based on 2D materials
With the rapid development of the internet of things (IoT) and wearable electronics, the role
of flexible sensors is becoming increasingly irreplaceable, due to their ability to process and …
of flexible sensors is becoming increasingly irreplaceable, due to their ability to process and …
On the mechanical properties and thermal stability of a recently synthesized monolayer amorphous carbon
Recently, the first synthesis of a freestanding monolayer amorphous carbon (MAC) was
reported. MAC is a pure carbon structure composed of randomly distributed five, six, seven …
reported. MAC is a pure carbon structure composed of randomly distributed five, six, seven …
Engineered defects to modulate fracture strength of single layer MoS2: An atomistic study
We use classical molecular dynamics (MD) simulations to investigate the mechanical
properties of pre-cracked, nano-porous single layer MoS 2 (SLMoS 2) and the effect of …
properties of pre-cracked, nano-porous single layer MoS 2 (SLMoS 2) and the effect of …
Hybrid machine-learning-assisted quantification of the compound internal and external uncertainties of graphene: towards inclusive analysis and design
Molecular dynamics (MD) simulations have emerged to be a vital tool for the analysis of
nanoscale materials like graphene. However, the reliability of the results derived from MD …
nanoscale materials like graphene. However, the reliability of the results derived from MD …
In Situ Tensile Testing of Nanometer-Thick Two-Dimensional Transition-Metal Carbide Films: Implications for MXenes Acting as Nanoscale Reinforcement Agents
In-plane mechanical behavior of stacks formed by titanium carbide MXenes (Ti2CT x,
Ti3C2T x) was investigated in a microscale uniaxial tensile experiment with the in situ …
Ti3C2T x) was investigated in a microscale uniaxial tensile experiment with the in situ …
Comparative study on predicting Young's modulus of graphene sheets using nano-scale continuum mechanics approach
In this research, nano-scale continuum modeling is employed to predict Young's modulus of
graphene sheet. The lattice nano-structure of a graphene sheet is replaced with a discrete …
graphene sheet. The lattice nano-structure of a graphene sheet is replaced with a discrete …
Mechanical and electronic properties of graphitic carbon nitride (g-C3N4) under biaxial strain
Using the first-principles density functional theory calculations, we investigate the
mechanical and electronic properties of biaxially strained graphitic carbon nitride (gC 3 N 4) …
mechanical and electronic properties of biaxially strained graphitic carbon nitride (gC 3 N 4) …
A critical study of the parameters governing molecular dynamics simulations of nanostructured materials
Molecular dynamics (MD) simulations have been used extensively over the past two
decades to determine the mechanical and physical properties of nanomaterials. However …
decades to determine the mechanical and physical properties of nanomaterials. However …