cp-tools: A Python library for predicting heat capacity of crystalline substances
A Python library, called cp-tools, is presented that can be used to predict heat capacity cpof a crystalline phase based on the Debye temperature, thermal expansion coefficient at the Debye temperature, and the zero-Kelvin properties volume and bulk modulus. The temperature dependence of thermal exp...
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2019-01-01
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| Series: | SoftwareX |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711018301791 |
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doaj-695ea190271f4de1aa3426208691d8cb2020-11-25T02:36:19ZengElsevierSoftwareX2352-71102019-01-019244247cp-tools: A Python library for predicting heat capacity of crystalline substancesTilo Zienert0Correspondence to: TU Bergakademie Freiberg, Institute of Ceramic, Glass and Construction Materials, Agricolastr. 17, 09599 Freiberg, Germany.; TU Bergakademie Freiberg, Institute of Materials Science, Gustav-Zeuner-Str. 5, 09599 Freiberg, GermanyA Python library, called cp-tools, is presented that can be used to predict heat capacity cpof a crystalline phase based on the Debye temperature, thermal expansion coefficient at the Debye temperature, and the zero-Kelvin properties volume and bulk modulus. The temperature dependence of thermal expansion, volume, bulk modulus and heat capacity can be assessed to obtain a reliable thermodynamic description of a substance. In addition, several scripts are provided for obtaining and evaluating the input parameters from experimental data. Keywords: CALPHAD, Heat capacity, Thermodynamic modellinghttp://www.sciencedirect.com/science/article/pii/S2352711018301791 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Tilo Zienert |
| spellingShingle |
Tilo Zienert cp-tools: A Python library for predicting heat capacity of crystalline substances SoftwareX |
| author_facet |
Tilo Zienert |
| author_sort |
Tilo Zienert |
| title |
cp-tools: A Python library for predicting heat capacity of crystalline substances |
| title_short |
cp-tools: A Python library for predicting heat capacity of crystalline substances |
| title_full |
cp-tools: A Python library for predicting heat capacity of crystalline substances |
| title_fullStr |
cp-tools: A Python library for predicting heat capacity of crystalline substances |
| title_full_unstemmed |
cp-tools: A Python library for predicting heat capacity of crystalline substances |
| title_sort |
cp-tools: a python library for predicting heat capacity of crystalline substances |
| publisher |
Elsevier |
| series |
SoftwareX |
| issn |
2352-7110 |
| publishDate |
2019-01-01 |
| description |
A Python library, called cp-tools, is presented that can be used to predict heat capacity cpof a crystalline phase based on the Debye temperature, thermal expansion coefficient at the Debye temperature, and the zero-Kelvin properties volume and bulk modulus. The temperature dependence of thermal expansion, volume, bulk modulus and heat capacity can be assessed to obtain a reliable thermodynamic description of a substance. In addition, several scripts are provided for obtaining and evaluating the input parameters from experimental data. Keywords: CALPHAD, Heat capacity, Thermodynamic modelling |
| url |
http://www.sciencedirect.com/science/article/pii/S2352711018301791 |
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AT tilozienert cptoolsapythonlibraryforpredictingheatcapacityofcrystallinesubstances |
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1724800704107773952 |