About: A new computational treatment of reactive diffusion in binary systems

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Reactive diffusion is usually explained and simulated for a binary A-B diffusion couple used as a starting configuration. Various solution concepts for reactive diffusion are shortly discussed. If sharp interfaces between the developed new and/or parent phases with infinite mobility are assumed and act as ideal sources and sinks for vacancies, then the local equilibrium conditions at the interface are enforced. This is pronounced as jump in chemical composition given by a phase equilibrium diagram, and the corresponding local mass balance (conservation) at the interface must be taken into account. This represents a classical concept. However, there exist two further solution concepts, one working with the thermodynamic factors and the other one utilizing chemical potentials as unambiguous functions of the chemical composition. All three concepts are compared based on the solution of the same reference example by means of finite difference technique. Drastic differences appear between results obtained by the classical sharp interface concept as well as the chemical potential based concept (both providing identical results) compared to the use of the thermodynamic factor concept. Reactive diffusion is usually explained and simulated for a binary A-B diffusion couple used as a starting configuration. Various solution concepts for reactive diffusion are shortly discussed. If sharp interfaces between the developed new and/or parent phases with infinite mobility are assumed and act as ideal sources and sinks for vacancies, then the local equilibrium conditions at the interface are enforced. This is pronounced as jump in chemical composition given by a phase equilibrium diagram, and the corresponding local mass balance (conservation) at the interface must be taken into account. This represents a classical concept. However, there exist two further solution concepts, one working with the thermodynamic factors and the other one utilizing chemical potentials as unambiguous functions of the chemical composition. All three concepts are compared based on the solution of the same reference example by means of finite difference technique. Drastic differences appear between results obtained by the classical sharp interface concept as well as the chemical potential based concept (both providing identical results) compared to the use of the thermodynamic factor concept. (en)
Title	A new computational treatment of reactive diffusion in binary systems A new computational treatment of reactive diffusion in binary systems (en)
skos:prefLabel	A new computational treatment of reactive diffusion in binary systems A new computational treatment of reactive diffusion in binary systems (en)
skos:notation	RIV/68081723:_____/13:00421211!RIV14-AV0-68081723
http://linked.open...avai/predkladatel	Ústav fyziky materiálů AVČR, v.v.i.
http://linked.open...avai/riv/aktivita	I
http://linked.open...avai/riv/aktivity	I
http://linked.open...iv/cisloPeriodika	OCT
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Svoboda, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyziky materiálů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	58797
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/13:00421211
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Multi-component diffusion; Intermetallic compounds; Interface migration; Thermodynamics; Reactive diffusion (en)
http://linked.open.../riv/klicoveSlovo	Multi-component diffusion Thermodynamics Interface migration Intermetallic compounds Reactive diffusion
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[33FB6C4808B1]
http://linked.open...i/riv/nazevZdroje	Computational Materials Science
http://linked.open...in/vavai/riv/obor	BJ
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	78
http://linked.open...iv/tvurceVysledku	Fischer, F. D. Svoboda, Jiří
http://linked.open...ain/vavai/riv/wos	000321698700007
issn	0927-0256
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.commatsci.2013.05.012

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