Microscopic Dynamics of Supercooled Liquids from First Principles

Liesbeth M. C. Janssen and David R. Reichman
Phys. Rev. Lett. 115, 205701 – Published 9 November 2015
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Abstract

The transition from a liquid to a glass remains one of the most poorly understood phenomena in condensed matter physics, and still no fully microscopic theory exists that can describe the dynamics of supercooled liquids in a quantitative manner over all relevant time scales. Here, we present a theoretical framework that yields near-quantitative accuracy for the time-dependent correlation functions of a glass-forming system over a broad density range. Our approach requires only simple static structural information as input and is based entirely on first principles. Owing to its ab initio nature, the framework offers a unique platform to study the relation between structure and dynamics in glass-forming matter, and paves the way towards a systematically correctable and ultimately fully quantitative theory of microscopic glassy dynamics.

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  • Received 14 July 2015

DOI:https://doi.org/10.1103/PhysRevLett.115.205701

© 2015 American Physical Society

Authors & Affiliations

Liesbeth M. C. Janssen* and David R. Reichman

  • Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA

  • *Present address: Institute for Theoretical Physics II, Heinrich-Heine University Düsseldorf, Universitätsstraße 1, D-40225, Germany. ljanssen@thphy.uni-duesseldorf.de
  • drr2103@columbia.edu

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Issue

Vol. 115, Iss. 20 — 13 November 2015

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