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molecular dynamics

Molecular dynamics study on the shock induced spallation of polyethylene

Submitted by Nuwan Dewapriya on
research
molecular dynamics
Spallation
Shock Hugoniot
polymers

Our latest article in the Journal of Applied Physics is freely available for 14 days: https://aip.scitation.org/doi/10.1063/5.0072249

 We conducted molecular dynamics simulations of plate impact tests of polyethylene to obtain molecular-level insights on two common approximations associated with the interpretation of shock pressure and spall strength. Our results revealed

(1) The free surface approximation can slightly underpredict the shock pressure in the polymer.

Molecular‑level investigation on the spallation of polyurea

Submitted by Nuwan Dewapriya on
research
molecular dynamics
Shock Hugoniot
Spallation
polymers

 

 

 

Our paper "Molecular‑level investigation on the spallation of polyurea" is freely available from this link: https://rdcu.be/cqkbG

We used molecular dynamics (MD) simulations to investigate the nanoscale mechanism associated with the spallation of polyurea, which allowed us to test some assumptions commonly made in the interpretation of similar experiments on the macroscale. 

LAMMPS tutorials on the simulations of shock wave propagation and ballistic impact

Submitted by Nuwan Dewapriya on
research
Ballistic Impact Response
Ultrahigh Strain Rates
Shock Wave Propagation
molecular dynamics
Spallation

We are currently investigating the shock response of materials using molecular dynamics (MD). This project showed us that the preparation of properly equilibrated MD models can be very challenging even for someone with a strong background in molecular modeling. Therefore, we thought of sharing some of our recent MD models with the research community. We would like to share the LAMMPS input and data files required to run MD simulation of shock wave propagation and ballistic impacts. The two MD models are shown above.

Energy absorption mechanisms of nanoscopic multilayer structures under ballistic impact loading

Submitted by Nuwan Dewapriya on
research
Ultrahigh Strain Rates
Adiabatic Shock Heating
Shock Wave Propagation
Shock Hugoniot
Spallation
molecular dynamics

 

Our latest article on the ballistic performance of polymer/metal nanostructures is freely available for 50 days from today: https://authors.elsevier.com/a/1cy9c3In-urcWx

Atomic-Scale Investigation on the Mechanical Behavior of Ultrathin Multilayers Under Shock Loading

Submitted by Nuwan Dewapriya on
research
Ballistic Impact Response
Ultrahigh Strain Rates
Adiabatic Shock Heating
Shock Wave Propagation
Shock Hugoniot
Spallation
Ballistic Limit Velocity
molecular dynamics
DFT

Recent advances in microprojectile impact tests have opened a new route to explore the behaviors of nanomaterials under extreme dynamic conditions. For example, impact tests have revealed that the specific penetration energies of ultrathin polymer films are remarkably high compared to the energies of conventional protective materials. The current experimental techniques are, however, unable to elucidate some of the complex atomistic mechanisms associated with the penetration process, which can only be realized through atomistic simulations.

PhD Position in Multiscale Brain Injury Modelling at KTH-Stockholm

Submitted by Xiaogai Li on
job
biomechancs
multiscale modeling
molecular dynamics
finite element analysis

One PhD Student position in Multiscale brain injury modeling for 4-5 years; expected from March 1, 2021 or according to agreement at KTH Royal Institute of Technology in Stockholm, Sweden.

Eligibility: have basic studies at the MSc level in medical engineering, bio mechanics, engineering physics, mechanical engineering, or the like; Requirements for English equivalent to English B/6.

Characterizing fracture stress of defective graphene samples using shallow and deep artificial neural networks

Submitted by Nuwan Dewapriya on
research
machine learning
molecular dynamics
graphene
fracture
defects

Abstract: Advanced machine learning methods could be useful to obtain novel insights into some challenging nanomechanical problems. In this work, we employed artificial neural networks to predict the fracture stress of defective graphene samples. First, shallow neural networks were used to predict the fracture stress, which depends on the temperature, vacancy concentration, strain rate, and loading direction.

Call for Abstract Submission to SES2020 Symposium "Distinct Element Method Mechanics Across Scales And Domains"

Submitted by Igor Berinskii on
conference
DEM
distinct element method
MD
molecular dynamics
coarse-grain modeling

Dear colleagues,

We encourage you to submit your abstract to our mini-symposium "Distinct Element Method Mechanics Across Scales And Domains" in the frames of Society of Engineering Science (SES) 57th Annual Technical Meeting. The abstract submission deadline is March 17th, 2020. You can find us under Track 5: Frontiers in Mechanics of Materials. 

 

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