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ChE Seminar: Molecular Simulations of Mechanical Properties for Polymer Materials


Room 10, Behrakis

November 15, 2017 11:45 am to 1:00 pm
November 15, 2017 11:45 am to 1:00 pm

Molecular Simulations of Mechanical Properties for Polymer Materials

Dr. Jan Andzelm, ARL Fellow & Team Lead: Multi-scale Modeling & Characterization

Macromolecular Science & Technology Branch

US Army Research Laboratory, MD

ABSTRACT: One of key research strategies at the U.S. Army Research Laboratory (ARL): is the development of superior protection systems for individual warfighter and vehicles. The protective systems often use polymers due to their low weight, good strength and toughness which improves resistance to ballistic penetration.We will review fundamental research projects carried out at ARL and aimed at understanding and prediction of mechanical properties for polymers at high strain rates. We will briefly discuss examples from our work on mechanisms of tensile deformation at increasing strain rates for a polymer gel, thermoset polymer network, and also semicrystalline polymer. We are also modeling polymer composites under mechanical shock compression.Our latest project explores mechanical properties of emerging 2D polymers inspired by Kevlar(R) which is well known for its remarkable strength and stiffness facilitated by the hydrogen bonds formed between Kevlar chains. We proposed a new 2D polymer, “graphamid” with strong hydrogen bonds between 2D sheets of graphamid. Molecular and micromechanical calculations predictthat ensembles of graphamid molecules will form stiff, strong and tough films of unprecedented mechanical performance.

BIOGRAPHY: As the Team Leader of the Multiscale Modeling Team at ARL,Dr. Andzelminvestigating properties of materials important for Soldier protection. The team is developing and applying novel computational techniques at quantum mechanical, atomistic and mesoscale levels aimed at understanding and predicting structural, mechanical and electronic properties of macromolecules and composite materials.Dr. Andzelmreceived his PhD in quantum chemistry and held position of assistant professor in Poland before moving to Canada to work on emerging density functional (DFT) method for chemistry research. Later, he worked at Cray Research, Inc, developing DFT programs for chemistry and biochemistry applications. From 1991–2004, Dr. Andzelmdeveloped computational chemistry programs and conducting research in the field of materials science. He was awarded NIST and NIH grants for his research and received several industry awards.Dr. Andzelmhas co-authored over 130 scientific papers and book contributions that attracted more than 10500 citations. His research at ARL also led to two patents. Dr. Andzelmhas been awarded the U.S. Army Research & Development Achievement Award in 2009 and 2013, 2010 ARL Award for Science, the Best Paper Award at 27th Army Science Conference, and several ARL Director Research Initiative Awards. Dr. Andzelmwas selected as a U.S. Army Research Laboratory Fellow in 2010.