Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313679673> ?p ?o ?g. }
Showing items 1 to 51 of
51
with 100 items per page.
- W4313679673 abstract "Thermodynamics is a science concerning the state of a system, whether it is stable, metastable, or unstable. The combined law of thermodynamics derived by Gibbs about 150 years ago laid the foundation of thermodynamics. In Gibbs combined law, the entropy production due to internal processes was not included, and the 2nd law was thus practically removed from the Gibbs combined law, so it is only applicable to systems under equilibrium. Gibbs further derived the classical statistical thermodynamics in terms of the probability of configurations in a system. With the quantum mechanics (QM) developed, the QM-based statistical thermodynamics was established and connected to classical statistical thermodynamics at the classical limit as shown by Landau. The development of density function theory (DFT) by Kohn and co-workers enabled the QM prediction of properties of the ground state of a system. On the other hand, the entropy production due to internal processes in non-equilibrium systems was studied separately by Onsager and Prigogine and co-workers. The digitization of thermodynamics was developed by Kaufman in the framework of the CALPHAD modeling of individual phases. Our recently termed zentropy theory integrates DFT and statistical mechanics through the replacement of the internal energy of each individual configuration by its DFT-predicted free energy. Furthermore, through the combined law of thermodynamics with the entropy production as a function of internal degrees of freedom, it is shown that the kinetic coefficient matrix of independent internal processes is diagonal with respect to the conjugate potentials in the combined law, and the cross phenomena represented by the phenomenological Onsager reciprocal relationships are due to the dependence of the conjugate potential of the molar quantity in a flux on nonconjugate potentials." @default.
- W4313679673 created "2023-01-08" @default.
- W4313679673 creator A5091161457 @default.
- W4313679673 date "2023-01-05" @default.
- W4313679673 modified "2023-10-16" @default.
- W4313679673 title "Thermodynamics and its Prediction and CALPHAD Modeling: Review, State of the Art, and Perspectives" @default.
- W4313679673 doi "https://doi.org/10.48550/arxiv.2301.02132" @default.
- W4313679673 hasPublicationYear "2023" @default.
- W4313679673 type Work @default.
- W4313679673 citedByCount "0" @default.
- W4313679673 crossrefType "posted-content" @default.
- W4313679673 hasAuthorship W4313679673A5091161457 @default.
- W4313679673 hasBestOaLocation W43136796731 @default.
- W4313679673 hasConcept C106301342 @default.
- W4313679673 hasConcept C119787686 @default.
- W4313679673 hasConcept C119820323 @default.
- W4313679673 hasConcept C121332964 @default.
- W4313679673 hasConcept C121864883 @default.
- W4313679673 hasConcept C146477669 @default.
- W4313679673 hasConcept C18815010 @default.
- W4313679673 hasConcept C65494353 @default.
- W4313679673 hasConcept C74859849 @default.
- W4313679673 hasConcept C97355855 @default.
- W4313679673 hasConcept C99874945 @default.
- W4313679673 hasConceptScore W4313679673C106301342 @default.
- W4313679673 hasConceptScore W4313679673C119787686 @default.
- W4313679673 hasConceptScore W4313679673C119820323 @default.
- W4313679673 hasConceptScore W4313679673C121332964 @default.
- W4313679673 hasConceptScore W4313679673C121864883 @default.
- W4313679673 hasConceptScore W4313679673C146477669 @default.
- W4313679673 hasConceptScore W4313679673C18815010 @default.
- W4313679673 hasConceptScore W4313679673C65494353 @default.
- W4313679673 hasConceptScore W4313679673C74859849 @default.
- W4313679673 hasConceptScore W4313679673C97355855 @default.
- W4313679673 hasConceptScore W4313679673C99874945 @default.
- W4313679673 hasLocation W43136796731 @default.
- W4313679673 hasOpenAccess W4313679673 @default.
- W4313679673 hasPrimaryLocation W43136796731 @default.
- W4313679673 hasRelatedWork W1639292788 @default.
- W4313679673 hasRelatedWork W1970970142 @default.
- W4313679673 hasRelatedWork W2062303649 @default.
- W4313679673 hasRelatedWork W2368366501 @default.
- W4313679673 hasRelatedWork W2493851607 @default.
- W4313679673 hasRelatedWork W3119465219 @default.
- W4313679673 hasRelatedWork W3134812480 @default.
- W4313679673 hasRelatedWork W3138427182 @default.
- W4313679673 hasRelatedWork W4285385927 @default.
- W4313679673 hasRelatedWork W574035511 @default.
- W4313679673 isParatext "false" @default.
- W4313679673 isRetracted "false" @default.
- W4313679673 workType "article" @default.