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Related Concept Videos

Thermodynamic Potentials01:26

Thermodynamic Potentials

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Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
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Maxwell's thermodynamic relations are very useful in solving problems in thermodynamics. Each of Maxwell's relations relates a partial differential between quantities that can be hard to measure experimentally to a partial differential between quantities that can be easily measured. These relations are a set of equations derivable from the symmetry of the second derivatives and the thermodynamic potentials.
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A thermodynamic system is a set of objects whose thermodynamic properties are of interest. The system is considered to be embedded in its surroundings or the environment. The system and its environment can exchange heat and do work on each other through a boundary that separates them. However, the immediate surroundings of the system interact with it directly and therefore have a much stronger influence on its behavior and properties.
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The First Law of Thermodynamics states that energy cannot be created or destroyed, only transformed. This can be demonstrated within a classic food web where light energy from the sun is harnessed as radiant energy by plants, converted into chemical energy, and stored as complex carbohydrates. The vegetation is then consumed by animals and during the digestion process, the sugars release energy as heat. The sugars also produce chemical energy that either gets used up doing work, stored in...
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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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DFT-inspired methods for quantum thermodynamics.

Marcela Herrera1, Roberto M Serra1,2, Irene D'Amico3,4

  • 1Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Avenida dos Estados 5001, 09210-580, Santo André, São Paulo, Brazil.

Scientific Reports
|July 7, 2017
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Summary
This summary is machine-generated.

We present a new method for calculating thermodynamic properties in complex quantum systems far from equilibrium. This approach, using density functional theory, accurately estimates quantum work, achieving results within 10% of exact values across diverse conditions.

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Area of Science:

  • Quantum Thermodynamics
  • Condensed Matter Physics
  • Computational Many-Body Physics

Background:

  • Describing thermodynamic quantities in out-of-equilibrium quantum systems is computationally challenging.
  • Existing methods often struggle with accuracy or scalability for interacting many-body systems.

Purpose of the Study:

  • To develop a novel, accurate, and implementable method for quantifying thermodynamic properties in non-equilibrium interacting many-body systems.
  • To leverage concepts from density functional theory for this purpose.

Main Methods:

  • Proposal of a new computational method based on approximation protocols.
  • Integration of tools and concepts from density functional theory.
  • Application and testing on the driven Hubbard dimer model at half filling.

Main Results:

  • The proposed method accurately reproduces average quantum work for out-of-equilibrium systems.
  • Estimates achieve high accuracy (within 10% of exact results) across a broad parameter space and dynamical regimes.
  • The method demonstrates scalability for medium to large numbers of interacting particles.

Conclusions:

  • The developed method offers a practical and accurate approach to quantum thermodynamics for non-equilibrium systems.
  • It provides a valuable tool for studying complex quantum phenomena where traditional methods fall short.