1. Molecular Dynamics Studies
2. Dissipative Particle Dynamics
3. Coarse Grain MD
4. Finite Element Studies
5. Multi-scale Modeling
6. Videos
2. Dissipative Particle Dynamics
3. Coarse Grain MD
4. Finite Element Studies
5. Multi-scale Modeling
6. Videos
1. Molecular Dynamics Studies
(a) Mechanical properties of infected Hemoglobin
The mechanical behavior and properties of hemoglobin under various pathological states is investigated in this research. Hemoglobin, a major constituent in red blood cells shows anisotropic elastic material properties and irreversible compressive properties. The work also sheds light onto the weak internal structural instabilities through a tetrahedron model. The articles related to this research is in press.
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(b) Passive Flow of Liquids at Nanoscale
Using molecular dynamics simulations, the origin and characterization of passive flow at nano-scales is investigated. By creating a differential thermal region on a platinum plate, a continuous evaporation and condensation cycle was achieved with high heat flux. The research content is published in Langmuir (click here for link) and it shows a high potential for passive flow as an efficient cooling technology.
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(c) Water Droplet - Substrate Heating, Evaporation
We developed a heat transfer algorithm which can simulate the heating of water droplets and thin films on top of platinum in molecular dynamics simulations. With this algorithm, we can study a wide range of heat transfer problems at Nanoscale. Details of this algorithm is explained in the article in Physical Chemistry Letters (click here).
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(d) Contact Angle Estimation Algorithm
We have developed a new methodology to accurately reconstruct the vapor-liquid interface of molecular systems and also to estimate the contact angle of droplets and bubbles. More details can be found from our peer reviewed conference paper (click here) and also from our invited publication in Heat Transfer Engineering Journal (click here)
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(e) Evaporation of Argon using Platinum
Using our heat transfer algorithm, thin argon liquid films are heated using platinum plates. Saturation from 90 K to 130 K is shown first, followed by graphical representation of heating algorithm and finally shows simultaneous evaporation and condensation. The complete details and results of these studies are on my PhD thesis.
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