Hadi Nafar Email & Phone Number

Bedford, Massachusetts, United States

• Developed a method for calculating the nonequilibrium entropy of polymeric materials via nonequilibrium molecular dynamics simulations at various coarse-graining levels.• Developed a computationally efficient thermodynamical method as a means to delineate and quantify phase transition and crystallization kinetics in atomistic simulations of polymers.• Studied flow-induced crystallization and microphase separation in entangled polyethylene melts, and solutions and developed a nonequilibrium phase diagram for the thermodynamic state space using NEMD.• Developed an optimized DPD model for simulating entangled linear polyethylene melts, comparable with MD simulations, for at most one-third of the computational cost of equivalent MD simulations.• Developed a scaling method to map dimensionless results of DPD simulations to real-unit results of equivalent MD simulations in transient and steady-state.

• Implemented the Kraynik-Reinelt (KR) periodic boundary conditions within the open-source LAMMPS MD simulator, enabling the program to simulate planar elongational flows for unrestricted times. • Found previously unknown phenomena of molecular rotation, in shear flows, and configurational microphase separation, in elongational flows of entangled polymer melts.• Evaluated popular versions of the tube theory for entangled polymers mechanistically, using NEMD and proposed a refined NEMD-guided version to incorporate entanglement network dynamics in the constitutive equation.• Teaching assistant for the Fluid Flow and Heat Transfer, and the Advanced Engineering Mathematics courses for two semesters.

Tehran, Iran

• Designed the solvent extraction and electrolysis units of a zinc bioleaching pilot plant. • Performed upstream process dynamic simulations for the zinc bioleaching pilot plant.• Designed and performed experiments for maximizing the zinc solvent-extraction process performance.

Isfahan, Iran

• Worked part-time for about one year in total, from 2006 till 2009, as a process engineer in the polyvinyl acetate production plant.• Optimized the process by working on the recipe and operating conditions of the process. Reduced production costs by minimizing the consumption of polyvinyl alcohol.

Isfahan, Iran

Doctor Of Philosophy (Ph.D.), Chemical Engineering, Minor In Computational Science

Nonequilibrium Dynamics of Entangled Polymeric Fluids

Master’S Degree, Chemical Engineering

Master Of Science (M.Sc.), Chemical Engineering, Major In Process Modeling, Simulation, And Control

Simulation and Control of Methyl Acetate Hydrolysis through Reactive Distillation Column

Bachelor'S Degree, Chemical Engineering, Major In Polymer Industry