On the Potential for Improving Equilibrium Thermodynamic Databases with Kinetic Simulations

Autor:	Bernhard Sonderegger, Ernst Kozeschnik, Ivan Holzer
Rok vydání:	2007
Předmět:	Work (thermodynamics) Precipitation kinetics Database Chemistry Metals and Alloys Thermodynamics Condensed Matter Physics computer.software_genre Kinetic energy Equilibrium thermodynamic Metallic materials Materials Chemistry Statistical physics Material properties computer Thermodynamic process
Zdroj:	Journal of Phase Equilibria and Diffusion. 28:64-71
ISSN:	1863-7345 1547-7037
DOI:	10.1007/s11669-006-9003-8
Popis:	In this work, the possibilities for improving the accuracy of thermodynamic databases based on kinetic simulations are explored. With a new model for the simulation of precipitation kinetics in multi-component alloys, calculations are performed with all unknown parameters of the simulation obtained from independent thermodynamic and kinetic databases. Since no fitting parameters are used, the simulations are considered as having ‘predictive character’. The corresponding methodology is outlined. Based on the comparison of the predicted precipitation kinetics and experimental information, the potential for improving the accuracy of thermodynamic databases is explored.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::83bb3affd50253efe6a5ad20ea22dcb7 https://doi.org/10.1007/s11669-006-9003-8 Zobrazit plný text záznamu Full text from SpringerLink