热解吸法评价铒氢化物晶体结构的热稳定性

文章介绍了铒氢化物的热力学特性研究进展，实验测定了铒三氘化物的热解吸谱，建立了热解吸谱峰与晶体精细结构的对应关系，发现并确认了铒氘化物中氘原子占据CaF₂型面心立方结构（fcc）八面体间隙（β_Oct）和四面体间隙位置（β_Tet）时的氘释放峰。采用Redhead模型计算得到了γ+β相、β_Oct相和β_Tet相铒氘化物解吸氘的表观活化能，其值分别为（178.3±3.0）、（204.5±1.2）和（309.2±0.6） kJ/mol。结果显示，相结构对铒氘化物的热稳定性具有显著影响。提出了基于实验热解吸谱和Redhead理论模型来评估升温速率影响金属氢化物热解吸特性的方法，采用该方法可大幅减少实验工作量。

Evaluating Thermal Stability of Erbium Deuteride Crystal Structure From Thermal Desorption Spectra

The investigation progress on the thermodynamic characteristics of erbium hydride was introduced. In order to verify the thermal stability of erbium deuteride, the thermal desorption spectra (TDS) of erbium trideuterie were experimentally menstruated, and the corresponding relations of fine structure and TDS peaks of erbium deuteride were established. The deuterium release peaks of deuterium located at the octahedral interstice (β_Oct) and tetrahedral interstice (β_Tet) of face centered cubic (fcc) framework of the fluorite-type lattice have been especially found. The activation energy of γ+β,β_Oct and β_Tet phases erbium deuteride decomposition were calculated from the Redhead’s thermal desorption model, and the calculated values are (178.3±3.0), (204.5±1.2) and (309.2±0.6) kJ/mol, respectively. The results show that phase structure has a significant influence on the thermal stability of erbium deuteride. A novel method to evaluate the impact of heating rate parameter on the thermal desorption characteristics of metal hydride is proposed. It is a method based on the thermal desorption experimental test and theoretical simulation using Redhead’s model. Using this method can greatly reduce the workload of the experiment.