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Nuwan Dewapriya's blog

Exploring the effects of temperature, transverse pressure, and strain rate on axial tensile behavior of perfect UHMWPE crystals using molecular dynamics

Submitted by Nuwan Dewapriya on

Our latest paper, " Exploring the Effects of Temperature, Transverse Pressure, and Strain Rate on Axial Tensile Behavior of Perfect UHMWPE Crystals Using Molecular Dynamics," is accessible freely for 50 days from this link: https://authors.elsevier.com/a/1kT-A4rCEkw1es

The key findings can be summarized as follows:

• Elevated temperatures significantly reduce the strength of UHMWPE crystals, with the reduction in strength being more pronounced than that in modulus. 

Developing Mode I Cohesive Traction Laws for Crystalline UHMWPE Interphases Using Molecular Dynamics Simulations

Submitted by Nuwan Dewapriya on

Our latest paper, "Developing Mode I Cohesive Traction Laws for Crystalline UHMWPE Interphases Using Molecular Dynamics Simulations," is now freely accessible for the next 50 days from this link: https://authors.elsevier.com/a/1k9Pk3In-v14Go

Strain Rate Effects on Axial Tensile Behavior of Crystalline Polyethylene: Insights from Molecular Dynamics Simulations

Submitted by Nuwan Dewapriya on

Our recent paper is accessible freely for 50 days from this link: https://authors.elsevier.com/a/1iaz87NHxQgzz

 


Key findings of this paper include a 7-fold strength increase in crystals with chain ends at higher strain rates, a shift in failure mode from chain end sliding to chain scission, and the influence of molecular weight on the failure mode.

Uncovering stress fields and defects distributions in graphene using deep neural networks

Submitted by Nuwan Dewapriya on

 

In our latest article, “Uncovering stress fields and defects distributions in graphene using deep neural networks”: https://doi.org/10.1007/s10704-023-00704-z , we showed that conditional generative adversarial networks (cGANs) could transform complex deformation fields into stress fields by eliminating the need to evaluate elasticity distributions and develop complex nonlinear constitutive relations.

Molecular dynamics study on the shock induced spallation of polyethylene

Submitted by Nuwan Dewapriya on

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.

Shock response of polymers

Submitted by Nuwan Dewapriya on

Our latest article “Quantum and classical molecular dynamics simulations of shocked polyurea and polyurethane” is available freely for 50 days from this URL: https://authors.elsevier.com/a/1eJem3In-urdzV

 

 

Highlights of the article are as follows:

• Quantum molecular dynamics were used to compute shock Hugoniot data up to 75 GPa.

• The shock response of polyurea and polyurethane are remarkably similar.

Thank You Reviewers

Submitted by Nuwan Dewapriya on

I have noticed several online postings criticizing reviewers but haven’t seen a post appreciating them. Talking more about bad reviewers can give a wrong impression to the young researchers that the majority of the reviewers are bad. Therefore, I thought of sharing my experience.

We have published over 20 papers, and of course, got several rejections. However, I haven’t encountered an unreasonable reviewer yet. A reviewer can occasionally miss a point in a manuscript, but the reviewers repeatedly asked us fair questions and provided meaningful comments.

Molecular‑level investigation on the spallation of polyurea

Submitted by Nuwan Dewapriya on

 

 

 

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

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.