Third-Generation Thermodynamic Descriptions for Ta-Cr and Ta-V Binary Systems

Abstract

The third-generation thermodynamic descriptions for Ta-Cr and Ta-V binary systems were performed to construct the reliable thermodynamic database for refractory high-entropy alloys (RHEAs) containing Laves phase. The third-generation Gibbs energy expressions of pure Cr and V in both solid and liquid phases were established, from which the thermodynamic properties and thermal vacancy can be well described. The thermodynamic descriptions of Ta-Cr and Ta-V over the whole composition and temperature regions were carried out based on the reviewed phase equilibria and thermodynamic data with the CALPHAD (CALculation of PHAse Diagrams) approach. Specifically, the thermodynamic parameters of C14 and C15 Laves phases were evaluated by combining the theoretically computed and experimentally measured thermodynamic properties as well as the semiempirical relations. The calculated phase diagrams and thermodynamic properties in Ta-Cr and Ta-V systems according to the present thermodynamic parameters had a nice agreement with the experimental data even down to 0 K, indicating the reliability of the present modeling.

In silico affinity between analgesic/anti-inflammatory drugs and the transient receptor potential A1 to predict potential pharmacological managing approaches for bleaching sensitivity

“…The hydrophobic effect observed between codeine and TRPA1 is caused by the interaction of the non-polar parts of the ligand and the active site at the time of complex formation, which increases the entropy of the system and favours the formation of the protein-ligand complex (Livadiotis & McComas 2021). Many hydrophobic subunits in both the peptides and drugs analysed are essential for ligand recognition by the receptor (Livadiotis & McComas 2021, Zhang et al 2022. Thus, codeine and dexamethasone, if they can reach the pulp, may be promising drugs for eliminating the painful stimulus caused by clinical procedures that activate the TRPA1 channel in the pulp.…”