Year: 2024
Type: article
Abstract: This study, based on the analysis of existing experimental data, presents a third generation Calphad description of lithium, covering all temperature ranges, using nonlinear least squares in Matlab. We have expanded the SGTE database's description of lithium phases (face-centered cube, body-centered cube, liquid) down to 0 K with reasonable accuracy, taking into account the significant effort required to reconstruct the database for each element. During the evaluation process, it was determined that the low-temperature phase of lithium is fcc. The heat capacity of crystalline Li was accurately described using the extended Debye model. The third generation Calphad description of lithium utilized the two-state model and the extended Einstein model, leading to improved agreement with experimental data compared to previous assessments.
Source: Materials
DOI: 10.3390/ma17194750
Authors: Wenjun Xu, Xiaobo Li, Mingyu Ou, Jinning Ma
Institution: Xiangtan University
Language: English
Subfield: Mechanical Engineering
Field: Engineering
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $2,955
OpenAlex ID: W4402900673