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Related Concept Videos

Entropy and the Second Law of Thermodynamics01:20

Entropy and the Second Law of Thermodynamics

2.8K
The second law of thermodynamics can be stated quantitatively using the concept of entropy. Entropy is the measure of disorder of the system.
The relation  between entropy and disorder can be illustrated with the example of the phase change of ice to water. In ice, the molecules are located at specific sites giving a solid state, whereas, in a liquid form, these molecules are much freer to move. The molecular arrangement has therefore become more randomized. Although the change in average...
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Entropy02:39

Entropy

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Salt particles that have dissolved in water never spontaneously come back together in solution to reform solid particles. Moreover, a gas that has expanded in a vacuum remains dispersed and never spontaneously reassembles. The unidirectional nature of these phenomena is the result of a thermodynamic state function called entropy (S). Entropy is the measure of the extent to which the energy is dispersed throughout a system, or in other words, it is proportional to the degree of disorder of a...
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Entropy Change in Reversible Processes01:10

Entropy Change in Reversible Processes

2.5K
In the Carnot engine, which achieves the maximum efficiency between two reservoirs of fixed temperatures, the total change in entropy is zero. The observation can be generalized by considering any reversible cyclic process consisting of many Carnot cycles. Thus, it can be stated that the total entropy change of any ideal reversible cycle is zero.
The statement can be further generalized to prove that entropy is a state function. Take a cyclic process between any two points on a p-V diagram.
2.5K
Third Law of Thermodynamics02:38

Third Law of Thermodynamics

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A pure, perfectly crystalline solid possessing no kinetic energy (that is, at a temperature of absolute zero, 0 K) may be described by a single microstate, as its purity, perfect crystallinity,and complete lack of motion means there is but one possible location for each identical atom or molecule comprising the crystal (W = 1). According to the Boltzmann equation, the entropy of this system is zero.
18.9K
Enthalpy of Solution02:39

Enthalpy of Solution

24.8K
There are two criteria that favor, but do not guarantee, the spontaneous formation of a solution:
24.8K
Standard Entropy Change for a Reaction03:00

Standard Entropy Change for a Reaction

20.4K
Entropy is a state function, so the standard entropy change for a chemical reaction (ΔS°rxn) can be calculated from the difference in standard entropy between the products and the reactants.
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
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Mixed Enthalpy-Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical

Dibyendu Dey1, Liangbo Liang2, Liping Yu1,3

  • 1Department of Physics and Astronomy, University of Maine, Orono, Maine 04469, USA.

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|February 14, 2024
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Summary

A new descriptor efficiently predicts synthesizable high-entropy materials (HEMs). This method uses enthalpy and entropy factors to identify novel HEMs for diverse applications, accelerating materials discovery.

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Area of Science:

  • Materials Science
  • Computational Materials Science
  • Solid State Chemistry

Background:

  • High-entropy materials (HEMs) offer vast potential for functional material design due to their extensive composition space.
  • Identifying stable and synthesizable HEMs and establishing reliable design rules remain significant challenges in the field.

Purpose of the Study:

  • To develop a highly efficient and robust descriptor for predicting synthesizable high-entropy materials (HEMs) across broad chemical spaces.
  • To enable high-throughput screening of HEMs using first-principles calculations.

Main Methods:

  • Introduction of a mixed enthalpy-entropy descriptor (MEED) based on relative formation enthalpy and point-defect formation energy spectrum.
  • Application of MEED to 3D rocksalt carbides and 2D layered sulfides to validate its predictive capability.

Main Results:

  • The MEED successfully identified all experimentally reported HEMs in the studied material systems.
  • A system-specific cutoff criterion for assessing HEM synthesizability was established.
  • Tens of new high-entropy carbides and 2D high-entropy sulfides were predicted.

Conclusions:

  • The MEED provides an efficient and robust approach for predicting synthesizable HEMs.
  • The identified novel HEMs show potential for applications in aerospace coatings, energy conversion/storage, and flexible electronics.