Combined quantum-mechanical and Calphad approach to description of heat capacity of pure elements below room temperature
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F15%3A00081240" target="_blank" >RIV/00216224:14740/15:00081240 - isvavai.cz</a>
Alternative codes found
RIV/68081723:_____/15:00449972 RIV/00216305:26210/15:PU116433
Result on the web
<a href="http://ac.els-cdn.com/S0364591615300146/1-s2.0-S0364591615300146-main.pdf?_tid=752f8686-9419-11e5-8891-00000aab0f26&acdnat=1448527456_34d23b0be303cd8ee3d3d7b557c986da" target="_blank" >http://ac.els-cdn.com/S0364591615300146/1-s2.0-S0364591615300146-main.pdf?_tid=752f8686-9419-11e5-8891-00000aab0f26&acdnat=1448527456_34d23b0be303cd8ee3d3d7b557c986da</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.calphad.2015.08.006" target="_blank" >10.1016/j.calphad.2015.08.006</a>
Alternative languages
Result language
angličtina
Original language name
Combined quantum-mechanical and Calphad approach to description of heat capacity of pure elements below room temperature
Original language description
Einstein temperature (TE) was determined by fitting of experimental heat capacity data by the Einstein function only which ensures that it will represent the harmonic vibrational Gibbs energy only. The values of the electronic and anharmonic contributions to Gibbs energy (heat capacity) of 51 elements in stable state are determined by fitting the parameters of polynomials describing these contributions to SGTE data at Tlim. For illustration, the results of calculation of heat capacities in low-temperature region performed by PHON software are presented.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BJ - Thermodynamics
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
ISSN
0364-5916
e-ISSN
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Volume of the periodical
51
Issue of the periodical within the volume
December
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
161-171
UT code for WoS article
000366790500016
EID of the result in the Scopus database
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