The mechanical behavior of graphene under in-plane shear is studied using molecular dynamics simulations.We show that the shear behavior of chiral graphene is dependent on the loading direction due to its structural a...The mechanical behavior of graphene under in-plane shear is studied using molecular dynamics simulations.We show that the shear behavior of chiral graphene is dependent on the loading direction due to its structural asymmetry.The maximum shear failure strain of graphene in one direction may be 1.7 times higher than that in the opposite direction.We discuss also the influence of the cut-off parameters on the calculations.Our findings are useful for the understanding of mechanical behavior of graphene and the potential applications of graphene in nanodevices.展开更多
Steady shear flows of dense athermal systems composed of soft disks are investigated via non-equilibrium molecular dynamics simulations, from which we sort out links among the structure, dynamics, and shear rheology. ...Steady shear flows of dense athermal systems composed of soft disks are investigated via non-equilibrium molecular dynamics simulations, from which we sort out links among the structure, dynamics, and shear rheology. The systems at rest are jammed packings of frictionless disks with a nonzero yield stress. Driven by low shear rates, the flows shear thin due to the presence of the nonzero yield stress, but transit to shear thickening above a crossover shear rate γc - At γc, we observe the strongest struc- tural anisotropy in the pair distribution function, which serves as the structural signature of the shear thinning-thickening tran- sition. We also observe dynamical signatures associated with the transition： At γc , scaling behaviors of both the mean squared displacement and relaxation time undergo apparent changes. By performing a simple energy analysis, we reveal an underlying condition for the shear thickening to occur： d（lnTg）/d（Inγ） 〉 2 with Tg the kinetic temperature. This condition is confirmed by simulations.展开更多
基金supports from the Graduate Student Program of Shanghai University (Grant No.SHUCX101079)supported by the National Natural Science Foundation of China (Grant No.11172160)+2 种基金Fok Ying Tung Education Foundation (Grant No.121005)Shanghai Shuguang Program (Grant No. 08SG39),Shanghai Rising Star Program (Grant No. 09QH1401000)Shanghai Leading Academic Discipline Project (Grant No. S30106)
文摘The mechanical behavior of graphene under in-plane shear is studied using molecular dynamics simulations.We show that the shear behavior of chiral graphene is dependent on the loading direction due to its structural asymmetry.The maximum shear failure strain of graphene in one direction may be 1.7 times higher than that in the opposite direction.We discuss also the influence of the cut-off parameters on the calculations.Our findings are useful for the understanding of mechanical behavior of graphene and the potential applications of graphene in nanodevices.
基金supported by the National Natural Science Foundation of China(21325418,11074228)the National Basic Research Program of China(2012CB821500)+1 种基金the CAS 100-Talent Program(2030020004)the Fundamental Research Funds for the Central Universities(2340000034,2340000060,2030020023)
文摘Steady shear flows of dense athermal systems composed of soft disks are investigated via non-equilibrium molecular dynamics simulations, from which we sort out links among the structure, dynamics, and shear rheology. The systems at rest are jammed packings of frictionless disks with a nonzero yield stress. Driven by low shear rates, the flows shear thin due to the presence of the nonzero yield stress, but transit to shear thickening above a crossover shear rate γc - At γc, we observe the strongest struc- tural anisotropy in the pair distribution function, which serves as the structural signature of the shear thinning-thickening tran- sition. We also observe dynamical signatures associated with the transition： At γc , scaling behaviors of both the mean squared displacement and relaxation time undergo apparent changes. By performing a simple energy analysis, we reveal an underlying condition for the shear thickening to occur： d（lnTg）/d（Inγ） 〉 2 with Tg the kinetic temperature. This condition is confirmed by simulations.
