Publication
Plastic activity in nanoscratch molecular dynamics simulations of pure aluminum
Related publications (33)
A DNA Coarse-Grain Rigid Base Model and Parameter Estimation from Molecular Dynamics Simulations
Sequence dependent mechanics of DNA is believed to play a central role in the functioning of the cell through the expression of genetic information. Nucleosome positioning, gene regulation, DNA looping and packaging within the cell are only some of the pro ...
EPFL2012An Atomistic Simulation Method for Oxygen Impurities in Aluminium Based on Variable Charge Molecular Dynamics
Impurities are known to have a significant impact on materials properties. In particular, the presence of impurities can change mechanical properties and stabilize the microstructure by reducing grain growth and recrystallization processes. In the past ato ...
EPFL2010Investigation of the size of plastic zones in nano indentation and nano scratching
Jean-François Molinari, William Curtin, Till Junge
Friction and the associated wear are important but still poorly understood phenomena with strong impacts on our every day lives. Several mechanisms, such as plasticity, lattice vibration, and third-body interactions contribute to the dissipation of energy ...
2010Short range attractive colloids: Dynamics and energy landscape properties
We discuss the static and dynamical properties of a model of short range attractive colloidal systems. Our model is a binary mixture of particles interacting with a modified Lennard-Jones potential that we simulated by molecular dynamics. As previously fou ...
2008Molecular dynamics modelling of radiation defects in ferromagnetic alpha-iron
The need to perform large-scale molecular dynamics simulations of radiation defects in ferritic steels has stimulated the recent development of a 'magnetic' interatomic potential for body-centred cubic alpha-iron [1,2]. Here we describe the first applicati ...
2007Molecular dynamics simulation of radiation damage in bcc tungsten
Molecular dynamics (MD) simulations are performed to assess the primary damage due to high-energy neutron irradiation in bcc tungsten. For short-range interactions two different universal potentials are used, while for long-range interactions, two empirica ...
2007Investigating biological systems using first principles Car-Parrinello molecular dynamics simulations
Density functional theory (DFT)-based Car-Parrinello molecular dynamics (CPMD) simulations describe the time evolution of molecular systems without resorting to a predefined potential energy surface. CPMD and hybrid molecular mechanics/CPMD schemes have re ...
2007Multiscale modeling of two-dimensional contacts
A hybrid simulation method is introduced and used to study two-dimensional single-asperity and multi-asperity contacts both quasistatically and dynamically. The method combines an atomistic treatment of the interfacial region with a finite-element method d ...
American Physical Society2006