We develop and use simulation tools to optimize the design of enhanced materials and devices from the nanoscale (at the molecular level). Below are some highlights from our interest areas.
Development of Adaptive (Multifunctional) Fibers and Polymer Materials
Adaptive (multifunctional) fibers are used to create materials that can change their shape, size, and function depending on the conditions. Applications are filtration, energy, military, and medicine.
- MA Pasquinelli,* SS Tallury, B Pourdeyhimi, and RJ Spontak, “Molecular design of shape memory polymer fibers that are thermally responsive,” The Fiber Society International Conference, Raleigh, NC (28-30 October 2015).
- SS Tallury, RJ Spontak, and MA Pasquinelli, “Dissipative Particle Dynamics of Triblock Copolymer Melts: A Midblock Conformational Study at Moderate Segregation,” Journal of Chemical Physics, 141, 244911 (2014). DOI: 10.1063/1.4904388
- SS Tallury, KP Mineart, S Woloszczuk, DN Williams, RB Thompson, MA Pasquinelli, M Banaszak, and RJ Spontak, “Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development,” The Journal of Chemical Physics, 141, 121103 (2014). DOI: 10.1063/1.4896612
- S Tallury, R Spontak, and M Pasquinelli, “Characteristics of Interfaces in ABA Triblock Copolymer/Homopolymer Systems from Simulations and Theory,” Polymer Preprints, 53(2), 47 (2012). PDF
- SS Tallury, MA Pasquinelli, B Pourdeyhimi, RJ Spontak, S Basu, “Quasistatic and Continuous Dynamic Mechanical Behavior of Bicomponent Fibers”, Agilent Application Note (2012). Learn more.
- SS Tallury, MA Pasquinelli, B Pourdeyhimi, and R Spontak, “Bicomponent Fibers Capable of Thermally Induced Shape Recovery After Low-Temperature Strain Fixing”. PCT/US2013/063575
- (Provisional) SS Tallury, MA Pasquinelli, B Pourdeyhimi, and R Spontak, <Confidential>. 12 January 2013.