Layne B. Frechette

Layne B. Frechette

Postdoctoral Researcher, Brandeis University

Publications

Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory

Published in Annual Review of Physical Chemistry, 2023

A memorial to Phillip L. Geissler from his former students and postdocs, providing an overview of his scientific career.

Recommended citation: Gregory R Bowman, Stephen J Cox, Christoph Dellago, Kateri H DuBay, Joel D Eaves, Daniel A Fletcher, Layne B Frechette, Michael Grünwald, Katherine Klymko, JiYeon Ku, Ahmad Omar, Eran Rabani, David R Reichman, Julia R Rogers, Andreana M Rosnik, Grant M Rotskoff, Anna R Schneider, Nadine Schwierz, David A Sivak, Suriyanarayanan Vaikuntanathan, Stephen Whitelam, and Asaph Widmer-Cooper. “Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory.” Annu. Rev. Phys. Chem., 74, 11.1–11.27 (2023). https://www.annualreviews.org/doi/abs/10.1146/annurev-physchem-101422-030127

Elastic forces drive nonequilibrium pattern formation in a model of nanocrystal ion exchange

Published in Proceedings of the National Academy of Sciences of the United States of America, 2021

We used kinetic Monte Carlo simulations of a model for lattice-mismatched solids demonstrated how nonequilibrium patterns such as stripes can arise in heterostructured nanocrystals produced by cation exchange of different-sized cations.

Recommended citation: L.B. Frechette, C. Dellago, and P.L. Geissler. “Elastic forces drive nonequilibrium pattern formation in a model of nanocrystal ion exchange.” Proc. Natl. Acad. Sci. U.S.A., 118, e2114551118 (2021). https://www.pnas.org/doi/10.1073/pnas.2114551118

Trade-offs between translational and orientational order in 2D superlattices of polygonal nanocrystals with differing edge count

Published in Nano Letters, 2021

We used Monte Carlo simulations of hard polygons to explain how shape impacts translational and orientational order in nanocrystal assemblies.

Recommended citation: J.C. Ondry, L.B. Frechette, P.L. Geissler, and A.P. Alivisatos. “Trade-offs between translational and orientational order in 2D superlattices of polygonal nanocrystals with differing edge count.” Nano Lett., 22, 389-395 (2021). https://pubs.acs.org/doi/abs/10.1021/acs.nanolett.1c04058

Origin of mean-field behavior in an elastic Ising model

Published in Physical Review B, 2020

We derived an effective Hamiltonian for a commonly-used model of spin-crossover compounds in particlar and lattice-mismatched solids generally. In doing so, we showed how the effective interactions that arise from integrating out mechanical degrees of freedom yield classical (mean-field) critical behavior. We then demonstrated that simple mean-field theories based on these effective interactions predict a range of thermodynamic and kinetic properties that closely agree with Monte Carlo simulations of the model.

Recommended citation: L.B. Frechette, C. Dellago, and P.L. Geissler. “Origin of mean-field behavior in an elastic Ising model,” Phys. Rev. B 102, 024102 (2020). https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.024102

Consequences of lattice mismatch for phase equilibrium in heterostructured solids

Published in Physical Review Letters, 2019

We used Monte Carlo simulations, mean field theory, and a novel extension of the double-tangent construction to map the phase behavior of model lattice-mismatched solids.

Recommended citation: L.B. Frechette, C. Dellago, and P.L. Geissler. “Consequences of lattice mismatch for phase equilibrium in heterostructured solids,” Phys. Rev. Lett. 123, 135701 (2019). https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.123.135701

Unraveling kinetically-driven mechanisms of gold nanocrystal shape transformations using graphene liquid cell electron microscopy

Published in Nano Letters, 2018

We extended our kinetic Monte Carlo simulations from previous work to explore the mechanisms nanocrystal etching over a range of nonequilibrium conditions.

Recommended citation: M.R. Hauwiller, L.B. Frechette, M.R. Jones, J.C. Ondry, G.M. Rotskoff, P. Geissler, and A.P. Alivisatos. “Unraveling kinetically-driven mechanisms of gold nanocrystal shape transformations using graphene liquid cell electron microscopy,” Nano Lett. 18, 5731-5737 (2018). https://pubs.acs.org/doi/abs/10.1021/acs.nanolett.8b02337

Single-particle mapping of nonequilibrium nanocrystal transformations

Published in Science, 2016

We used kinetic Monte Carlo simulations to reveal the microscopic mechanisms of nanocrystal etching.

Recommended citation: X. Ye, M.R. Jones, L.B. Frechette, Q. Chen, A.S. Powers, P. Ericus, G. Dunn, G.M. Rotskoff, S.C. Nguyen, V.P. Adiga, A. Zettl, E. Rabani, P.L. Geissler, A.P. Alivisatos, “Single-particle mapping of nonequilibrium nanocrystal transformations,” Science 354, 874-877 (2016) https://www.science.org/doi/abs/10.1126/science.aah4434

Erratum:“The inherent dynamics of a molecular liquid: Geodesic pathways through the potential energy landscape of a liquid of linear molecules”[J. Chem. Phys. 140, 174503 (2014)]

Published in Journal of Chemical Physics, 2014

We corrected an error in the computation of geodesic pathways in a previous paper which improved their quantitative accuracy.

Recommended citation: L. Frechette, D. Jacobson, and R.M. Stratt, “Erratum: “The inherent dynamics of a molecular liquid: Geodesic pathways through the potential energy landscape of a liquid of linear molecules” [J. Chem. Phys. 140, 174503 (2014)],” J. Chem. Phys. 141, 209902 (2014). https://aip.scitation.org/doi/full/10.1063/1.4902974