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Simulation of crack growth in Ni-based single crystals

Submitted by S. Beretta on

In a cooperative research between PoliMi and UIUC we have analyzed the crack growth in Ni-based single crystals:

http://www.sciencedirect.com/science/article/pii/S0142112316000840

 Crack growth experiments analyzed with DIC had shown relatively low closure levels respect to polycrystals. Crystal plasticity simulations with WARP3D have been able to simulate closure levels consistent with the experimental ones.

Calculation of Elastic Modulus of Graphene in LAMMPS

Submitted by almuhib on

Hello everyone, I want to calculate elastic constants (C11, C22, C12, and C66) for a single layer graphene sheet by MD simulation in LAMMPS. I am using the following equation:

 

 E = (C11*C22-C12*C21)/C22 and poisson ratio = C12/C22 from this paper:

 http://www.sciencedirect.com/science/article/pii/S0261306909003082

Calculation of Elastic Modulus of Graphene in LAMMPS

Submitted by almuhib on
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Hello everyone, I want to calculate elastic constants (C11, C22, C12, and C66) for a single layer graphene sheet by MD simulation in LAMMPS. I am using the following equation:

 

E = (C11*C22-C12*C21)/C22 and poisson ratio = C12/C22 from this paper:

 http://www.sciencedirect.com/science/article/pii/S0261306909003082

Adsorption and Conformational Evolution of Alpha-Helical BSA Segments on Graphene: A Molecular Dynamics Study

Submitted by Jingjie Yeo on

http://dx.doi.org/10.1142/S1758825116500216 Molecular dynamics (MD) simulations are performed to investigate the adsorption mechanics and conformational dynamics of single and multiple bovine serum albumin (BSA) peptide segments on single-layer graphene through analysis of parameters such as the root-mean-square displacements, number of hydrogen bonds, helical content, inter- action energies, and motions of mass center of the peptides.

Negative Poisson's Ratio in Single-Layer Graphene Ribbons

Submitted by Harold S. Park on

The Poisson's ratio characterizes the resultant strain in the lateral direction for a material under longitudinal deformation.  Though negative Poisson's ratios (NPR) are theoretically possible within continuum elasticity, they are most frequently observed in engineered materials and structures, as they are not intrinsic to many materials.  In this work, we report NPR in single-layer graphene ribbons, which results from the compressive edge stress induced warping of the edges.

Failure Mechanics of a Wrinkling Thin Film Anode on a Substrate under Cyclic Charging and Discharging

Submitted by Zheng Jia on

Zheng Jia, Teng Li, Failure Mechanics of a Wrinkling Thin Film Anode on a Substrate under Cyclic Charging and Discharging, Extreme Mechanics Letters, accepted, 2016 (DOI:doi:10.1016/j.eml.2016.03.006)