Experimental formation enthalpies for intermetallic phases and other inorganic compounds.
Experimental formation enthalpies for intermetallic phases and other inorganic compounds.
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DOI：
10.1038/sdata.2017.162
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发表时间：
2017-10-24
期刊：
影响因子：
9.8
通讯作者：
Chen W
中科院分区：
文献类型：
--
作者：
Kim G;Meschel SV;Nash P;Chen W
化合物的标准形成焓是与从其组分元素形成化合物的反应相关的能量。标准生成焓是决定其相稳定性的基本热力学性质，可以与其他热力学数据相结合来计算相图。量热法提供了通过实验测量标准生成焓的唯一直接方法。然而，测量通常是一个时间和精力密集的过程。我们提出了通过高温量热法测量的生成焓数据集。该数据集中测量的物相包括过渡金属和稀土元素的金属间化合物、金属硼化物、金属碳化物和金属硅化物。这些测量结果是从 50 多年的量热实验中收集的。该数据集包含 1,276 个有关形成值和结构信息的实验焓的条目。大多数条目都是二元化合物，但三元和四元化合物将在可用时添加。该数据集还包含根据第一原理计算对生成焓的预测以进行比较。
The standard enthalpy of formation of a compound is the energy associated with the reaction to form the compound from its component elements. The standard enthalpy of formation is a fundamental thermodynamic property that determines its phase stability, which can be coupled with other thermodynamic data to calculate phase diagrams. Calorimetry provides the only direct method by which the standard enthalpy of formation is experimentally measured. However, the measurement is often a time and energy intensive process. We present a dataset of enthalpies of formation measured by high-temperature calorimetry. The phases measured in this dataset include intermetallic compounds with transition metal and rare-earth elements, metal borides, metal carbides, and metallic silicides. These measurements were collected from over 50 years of calorimetric experiments. The dataset contains 1,276 entries on experimental enthalpy of formation values and structural information. Most of the entries are for binary compounds but ternary and quaternary compounds are being added as they become available. The dataset also contains predictions of enthalpy of formation from first-principles calculations for comparison.
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影响因子：
6.2
作者：
MESCHEL, SV;KLEPPA, OJ
通讯作者：
KLEPPA, OJ
DOI：
10.1016/j.calphad.2007.10.001
发表时间：
2008-03-01
影响因子：
2.4
作者：
Spencer, P. J.
通讯作者：
Spencer, P. J.
影响因子：
6.1
作者：
Jain, Anubhav;Shyue Ping Ong;Persson, Kristin A.
通讯作者：
Persson, Kristin A.
影响因子：
4.4
作者：
Du, Yong;Schuster, Julius Clemens;Krendelsberger, Nataliya
通讯作者：
Krendelsberger, Nataliya
影响因子：
2.6
作者：
TOPOR, L;KLEPPA, OJ
通讯作者：
KLEPPA, OJ