Abstract

The authors extend the potential energy landscape formalism to the case of quantum liquids and how they approach their glass state.

Highlights

  • As a liquid is supercooled toward its glass state, the liquid’s dynamics slows down abruptly, with relaxation times increasing by ≈10–15 orders of magnitude in a small temperature range [1,2]

  • IV C, we show that the ring-polymers are collapsed at the inherent structures (IS)

  • We extended the potential energy landscape (PEL) formalism, originally proposed to study classical liquids and glasses, to the case of quantum liquids

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Summary

INTRODUCTION

As a liquid is supercooled toward its glass state, the liquid’s dynamics slows down abruptly, with relaxation times increasing by ≈10–15 orders of magnitude in a small temperature range [1,2]. The slowdown of most known supercooled liquids approaching the glass state can be explained using classical theories [e.g., mode coupling theory (MCT) [10]], quantum effects can play a relevant role in the case of light elements, including H2 and He [14,15]. Other studies on spin glasses and liquids indicate that the addition of quantum fluctuations can have a counterintuitive effect on the dynamics of the glass forming system where the quantum system exhibits a slower dynamics than its classical counterpart [24,25].

DEFINING A PEL FOR A QUANTUM SYSTEM
COMPUTER SIMULATIONS
RESULTS
Inherent structure energy and pressure
Gaussian potential energy landscape
Collapse of the ring-polymers at the IS
Effects of varying the beads number on the PEL properties
SUMMARY AND DISCUSSION
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