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Quantum mode-coupling theory reveals how quantum effects influence specific heat in supercooled liquids. Changes in quantumness significantly alter specific heat, especially near the liquid-to-glass transition.

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Area of Science:

  • Condensed Matter Physics
  • Theoretical Chemistry
  • Statistical Mechanics

Background:

  • Supercooled liquids exhibit complex dynamics near the glass transition.
  • Quantum effects can play a significant role in liquid behavior, particularly at low temperatures or high densities.
  • Understanding the frequency-dependence of thermodynamic properties like specific heat is crucial for characterizing these states.

Purpose of the Study:

  • To compute the frequency-dependent specific heat of supercooled hard sphere liquids.
  • To investigate the influence of quantum effects on specific heat using quantum mode-coupling theory (QMCT).
  • To explore how different dynamical modes contribute to specific heat in classical versus quantum liquids near the transition.

Main Methods:

  • Utilized quantum mode-coupling theory (QMCT) to model the system.
  • Employed a recently proposed perturbative method to solve the mode-coupling equations, enabling study of the moderate quantum regime.
  • Applied Zwanzig's formulation to calculate the frequency-dependent specific heat from QMCT dynamical information.

Main Results:

  • Specific heat exhibits strong dependence on the degree of quantumness in the supercooled liquid.
  • This variation in specific heat becomes more pronounced with increasing liquid density.
  • Distinct dynamical modes were identified as contributors to specific heat in classical and quantum liquids near the transition point.

Conclusions:

  • Quantum effects significantly modify the frequency-dependent specific heat of supercooled hard sphere liquids.
  • The interplay between quantum mechanics and liquid dynamics is critical near the liquid-to-glass transition.
  • The findings provide insights into the fundamental differences in relaxation dynamics between classical and quantum supercooled liquids.