Amalie L. Frischknecht

Scientist, Center for Integrated Nanotechnologies
Science Thrust:Theory and Simulation of Nanoscale Phenomena

Phone: 505-284-8585
Fax: 505-844-9781

P.O. Box 5800, MS 1411
Sandia National Laboratories
Albuquerque, NM 87185


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Education and Training

Undergraduate:  Pomona College, B.A. Physics, 1992
Graduate: University of California, Santa Barbara, Ph.D. Physics, 1998


My research has focused on understanding the structure, phase behavior, and self-assembly of complex fluids.  My current work includes studies of ionomers, polymer nanocomposites, and patterned polymer brushes.  I use a variety of techniques, including polymer self-consistent field theory, liquid state theory (PRISM), and molecular dynamics simulations, but my main focus is on the application of classical density functional theory (DFT) to the statistical mechanics of complex fluids, in particular to chain molecules.  Other interests include the modeling of biopolymers near interfaces and/or nanoparticles, and the use of classical DFT to study charged systems.

Selected Publications

  • D. S. Bolintineanu, M. J. Stevens, and A. L. Frischknecht, Atomistic simulations predict a surprising variety of morphologies in precise ionomers, ACS Macro Lett. 2, 206 (2013).
  • A. D. Price, S. M. Hur, G. H. Fredrickson, A. L. Frischknecht, and D. L. Huber, Exploring lateral microphase separation in mixed polymer brushes by experiment and self-consistent field theory simulations, Macromolecules 45, 510 (2012).
  • M. J. A. Hore, A. L. Frischknecht, and R. J. Composto, Nanorod assemblies in polymer films and their dispersion-dependent optical properties, ACS Macro Lett. 1, 115 (2012).
  • L. M. Hall, M. E. Seitz, K. I. Winey, K. L. Opper, K. B. Wagener, M. J. Stevens, and A. L. Frischknecht, Ionic aggregate structure in ionomer melts: effect of molecular architecture on aggregates and the ionomer peak, J. Am. Chem. Soc. 134, 574 (2012).
  • A. L. Frischknecht, V. Padmanabhan, and M. E. Mackay, Surface-induced phase behavior of polymer/nanoparticle blends with attractions, J. Chem. Phys. 136, 164904 (2012).
  • V. Padmanabhan, A. L. Frischknecht, and M. E. Mackay, Effect of Chain Stiffness on Nanoparticle Segregation in Polymer/Nanoparticle Blends Near a Substrate, Macromol. Theor. Simul. 21, 98, (2012).

Selected User Projects

  • Using Polymer Brushes to Achieve Control over Spacing and Orientation of Nanorods in Polymer Composite Films: Experiments and Simulations, Russell Composto, University of Pennsylvania
  • Understanding Nano-Scale Aggregates in Precise Ionomers from Simulation and Experiment, Karen Winey, University of Pennsylvania
  • Field-Based Simulations of Directed Self-Assembly in a Mixed Brush System, Glenn Fredrickson, University of California, Santa Barbara