TY  - JOUR
A1  - Zhao, Jun-Hua
A1  - Guo, Wanlin
A1  - Rabczuk, Timon
T1  - An analytical molecular mechanics model for the elastic properties of crystalline polyethylene
JF  - Journal of Applied Physics
N2  - We present an analytical model to relate the elastic properties of crystalline polyethylene based on a molecular mechanics approach. Along the polymer chains direction, the united-atom (UA) CH2-CH2 bond stretching, angle bending potentials are replaced with equivalent Euler-Bernoulli beams. Between any two polymer chains, the explicit formulae are derived for the van der Waals interaction represented by the linear springs of different stiffness. Then, the nine independent elastic constants are evaluated systematically using the formulae. The analytical model is finally validated by present united-atom molecular dynamics (MD) simulations and against available all-atom molecular dynamics results in the literature. The established analytical model provides an efficient route for mechanical characterization of crystalline polymers and related materials.
KW  - Angewandte Mathematik
KW  - Strukturmechanik
Y1  - 2012
U6  - http://dx.doi.org/10.1063/1.4745035
ER  - 
TY  - JOUR
A1  - Jiang, Jin-Wu
A1  - Zhao, Jun-Hua
A1  - Rabczuk, Timon
T1  - Size-Sensitive Young’s Modulus of Kinked Silicon Nanowires
JF  - Nanotechnology
N2  - We perform both classical molecular dynamics simulations and beam model calculations to investigate the Young's modulus of kinked silicon nanowires (KSiNWs). The Young's modulus is found to be highly sensitive to the arm length of the kink and is essentially inversely proportional to the arm length. The mechanism underlying the size dependence is found to be the interplay between the kink angle potential and the arm length potential, where we obtain an analytic relationship between the Young's modulus and the arm length of the KSiNW. Our results provide insight into the application of this novel building block in nanomechanical devices.
KW  - Angewandte Mathematik
KW  - Strukturmechanik
Y1  - 2013
U6  - http://dx.doi.org/10.1088/0957-4484/24/18/185702
ER  - 
TY  - JOUR
A1  - Zhang, Yancheng
A1  - Zhao, Jun-Hua
A1  - Jia, Yue
A1  - Mabrouki, Tarek
A1  - Gong, Yadong
A1  - Wei, Ning
A1  - Rabczuk, Timon
T1  - An analytical solution on the interface debonding for large diameter carbon nanotube-reinforced composite with functionally graded variation interphase
JF  - Composite Structures
N2  - An analytical solution on the interface debonding for large diameter carbon nanotube-reinforced composite with functionally graded variation interphase
KW  - Angewandte Mathematik
KW  - Strukturmechanik
Y1  - 2013
SP  - 261
EP  - 269
ER  - 
TY  - JOUR
A1  - Vu-Bac, N.
A1  - Lahmer, Tom
A1  - Keitel, Holger
A1  - Zhao, Jun-Hua
A1  - Zhuang, Xiaoying
A1  - Rabczuk, Timon
T1  - Stochastic predictions of bulk properties of amorphous polyethylene based on molecular dynamics simulations
JF  - Mechanics of Materials
N2  - Stochastic predictions of bulk properties of amorphous polyethylene based on molecular dynamics simulations
KW  - Angewandte Mathematik
KW  - Stochastik
KW  - Strukturmechanik
Y1  - 2014
SP  - 70
EP  - 84
ER  - 
TY  - JOUR
A1  - Zhang, Yancheng
A1  - Wei, Ning
A1  - Zhao, Jun-Hua
A1  - Gong, Yadong
A1  - Rabczuk, Timon
T1  - Quasi-analytical solution for the stable system of the multi-layer folded graphene wrinkles
JF  - Journal of Applied Physics
N2  - Quasi-analytical solution for the stable system of the multi-layer folded graphene wrinkles
KW  - Angewandte Mathematik
KW  - Strukturmechanik
Y1  - 2013
ER  -