Projects

UNDERGRADUATE WORK 

1. Mechanical and Tribological Properties of Polymer Composites (January 2017- December 2018) 

2. Pull out simulations on carbon nanotubes reinforced polymer composites (May 2016- December 2018)

3. Thermal properties of Single-Walled Carbon Nanotubes and their composites ( September 2016 - In Progress)

Description:

The goal of this project is to calculate the thermal properties of SWNTs and their composites as a function of the nanotube length, temperature, packing density, cell size and chirality using RNEMD (Reverse Non-equilibrium Molecular Dynamics Simulation) 

4.  Thermal and Mechanical properties of Multi-walled Carbon Nanotubes Polycarbonate system: A molecular dynamics approach

Raj Chawla

Accepted ( Abstract Id: 2562367)

Materials Research Society, Fall meeting 2016, Boston, Massachusetts

Invitation Letter (Link)

5. Variation in Young's modulus of Defective Single-Walled Carbon Nanotubes

Raj Chawla, Sumit Sharma

Accepted( Reference Id: ICYRAM2016-00023)

International Conference of Young Researchers on Advanced Materials 2016, IISC Bangalore ( Dec 11-15)

6. Mechanical properties of Single-Walled Carbon Nanotubes containing Vacancy Defects: A molecular dynamics study

Raj Chawla, Sumit Sharma

Accepted( Reference Id: ICYRAM2016-00023)

International Conference of Young Researchers on Advanced Materials, IISC Bangalore ( Dec 11-15)

7. Mechanical and Thermal properties of Functionalized Single-Walled Carbon Nanotubes

Raj Chawla, Sumit Sharma, Manish Dhawan

Accepted( Reference Id: CHE-PHY-118)

International Conference on Recent Advances in Fundamental and Applied Sciences 2016, LPU Jalandhar  ( Nov 25-26) 

8.  Effect of temperature on Young's modulus of Single-Walled Carbon Nanotubes and their composites

( January 2016 - May 2016)

Description:

The aim of this project is to study the Mechanical properties of SWCNT and their composites as a function of temperature for different chiralities and length using Molecular Dynamics Simulation.

9.  Atomistic Simulation of Single-Walled Carbon Nanotubes

Cognizance-2016, IIT Roorkee

Department of Metallurgical and Materials Science 

Ideaz-A (Presentation) (Certificate) (2nd Prize)

10.  Elastic modulus of pristine and defective Single-Walled Carbon Nanotubes

Association of Indian Universities, New Delhi 

Student's Research Convention ( North Zone)

Anveshan - 2015(December)

Poster(Link)

11.  Molecular dynamics simulation of Carbon nanotubes

(September 2015 - November 2015)

Description:

• • An MD simulation technique with COMPASS force field has been used to calculate the mechanical and structural properties of single and multi-walled carbon nanotubes. 

  • Three types of CNTs: Armchair (n,n), Zigzag (n,0) and chiral (n.m) has been studied.

  • Simulated results show Young's modulus increase with the decrease in NT diameter.

  • Radial distribution function (RDF) has been used to study the structural properties.