Electronic approach to understand the wettability of surface treated titanium with liquid sodium

IF 3.8 2区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Vacuum Pub Date : 2025-01-18 DOI:10.1016/j.vacuum.2025.114038

Masanari Namie , Jun-ichi Saito , Ryotaro Oka , Jae-Ho Kim

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Abstract

Wettability of titanium (Ti) and surface-modified (Oxidized or Fluorinated) Ti with liquid sodium (Na) were investigated via experiments and theoretical calculations. From the experimental results, a sliding angle of Na droplet on oxidized Ti was smaller than that on untreated Ti, indicating the worsening of wettability by oxidation. In contrast, the sliding angle of Na droplet on fluoridated Ti was larger than that on untreated Ti, indicating an improvement in wettability by fluorination. Additionally, the cluster models for the interface between Na droplets and treated or untreated Ti were constructed for theoretical calculations of electronic states at the interface, covalent and ionic bonds at the interface were evaluated from the calculation results. The sliding angles obtained in the wettability tests and the strength of covalent bonding at the interface showed no correlation, but good correlation was observed between the sliding angles and ionic bonding at the interface. Thus, the wettability of surface-modified Ti with liquid Na can be theoretically understood based on the atomic interactions at the interface.

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来源期刊

Vacuum 工程技术-材料科学：综合

CiteScore

6.80

自引率

17.50%

发文量

审稿时长

34 days

期刊介绍： Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences. A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below. The scope of the journal includes: 1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes). 2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis. 3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification. 4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.