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Machine learning based prediction of the electronic structure of quasi-one-dimensional materials under strain

Submitted by Shashank Pathrudkar on

I am happy to share our recent work, that has been published in the Physical Review B journal. I would be happy to share the paper with anyone interested, let me know if you cannot access the paper otherwise.

 

PRB link: https://journals.aps.org/prb/pdf/10.1103/PhysRevB.105.195141

Arxiv Link: https://arxiv.org/abs/2202.00930

Droplets on lubricated surfaces: The slow dynamics of skirt formation

Submitted by Zhaohe Dai on

Dear iMechanicians,

I would like to share our recent work published in Phys. Rev. Fluids on the statics and dynamics of droplets on lubricated surfaces: 

Droplets on lubricated surfaces: The slow dynamics of skirt formation

Zhaohe Dai and Dominic Vella

Size effects and failure regimes in notched micro-cantilever beam fracture

Submitted by Parag Tandaiya on

Notched micro-cantilever beam fracture (MCF) experiments are increasingly being used to measure fracture toughness of materials at the micro-scale and draw conclusions about size-effects in them. In our recent paper published in Acta Materialia, 'Size effects and failure regimes in notched micro-cantilever beam fracture', we elucidate the failure regimes in MCF experiments and discuss the conditions for validity of MCF tests.

Planar equilibria of an elastic rod wrapped around a circular capstan

Submitted by Harmeet Singh on

We present a study on planar equilibria of a terminally loaded elastic rod wrapped around a rigid circular capstan. Both frictionless and frictional contact between the rod and the capstan are considered. We identify three cases of frictionless contact -- namely where the rod touches the capstan at one point, along a continuous arc, and at two points. We show that, in contrast to a fully flexible filament, an elastic rod of finite length wrapped around a capstan does not require friction to support unequal loads at its two ends.

Micromechanics-based phase field fracture modelling of CNT composites

Submitted by Leonel_Quinteros on

 

Dear iMechanicians,

 

 I hope you find the following article useful. We develop the first phase field fracture formulation for CNT-based composites. A mean-field homogenisation approach is combined with a micromechanical description of carbon nanotube's fracture and pull-out, including the agglomeration effect.

 Micromechanics-based phase field fracture modelling of CNT composites

Drug repurposing for SARS-CoV-2 : a multi-modal computational study

Submitted by Dibakar Datta on

  

   Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study   

   By J. Kashyap and D. Datta

   Part of special issue on 'Computational Materials Design' in Journal of Materials Science 

#SARS-Cov-2 #COVID19 #COVID #Coronavirus