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Updated: May 6, 2026

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TDS模拟器:一个 MATLAB 应用程序来模拟温度编程的脱吸

Enrique García-Macías^1,2, Zachary D Harris³, Emilio Martínez-Pañeda⁴

¹Department of Civil and Environmental Engineering, Imperial College London, London SW7 2AZ, UK.

International journal of hydrogen energy

|March 16, 2026

概括

TDS模拟器是一个新的 MATLAB 工具,用于建模热溶解光谱 (TDS) 实验. 它模拟TDS曲线并校准实验数据以量化物相互作用,帮助材料开发.

科学领域:

材料科学材料科学材料科学
计算建模计算建模
表面科学是一门学科.

背景情况:

热溶解光谱 (TDS) 对于理解物质相互作用至关重要.
解释TDS实验数据需要复杂的后处理工具.
现有的方法缺乏对运输模型的全面模拟和反向校准能力.

研究的目的:

介绍TDS模拟器,这是一个用于模拟和分析TDS实验的新型软件工具.
提供一个用户友好的平台,用于模拟的扩散和材料中的捕获.
能够从实验数据中自动描述陷属性.

主要方法:

开发了一个MATLAB应用程序,实现初级扩散和捕获模型 (Oriani,McNabb-Foster).
集成的功能模拟TDS曲线随意的材料和陷参数.
包含一个反向校准工具,用于自动确定陷密度和结合能量.

主要成果:

TDS模拟器成功模拟了TDS曲线,并与文献数据进行验证.
该软件从实验数据中自动估计陷特征.
广泛的验证证实了模拟输出的准确性和可靠性.

结论:

TDS模拟器提供了一种高效且简单的方法来描述物质相互作用.
该工具为核聚变和经济等应用程序的材料开发提供了便利.
带有GUI的免费可用的MATLAB应用程序促进了可访问性和广泛的社区使用.

关键词:

扩散扩散是一种扩散.气气是一种气.在 MATLAB 中,我们可以使用 MATLAB.热溶解光谱学热溶解光谱学陷陷是一个陷.

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