Physical-informed deep learning prediction of solid and fluid mechanical properties of oxide glasses

IF 3.5 3区 材料科学 Q1 MATERIALS SCIENCE, CERAMICS Journal of Non-crystalline Solids Pub Date : 2025-06-01 Epub Date: 2025-03-09 DOI:10.1016/j.jnoncrysol.2025.123476
F. Pigeonneau , M. Rondet , O. de Lataulade , E. Hachem
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Abstract

The deep learning technique is an efficient method to determine properties of unknown glass compositions. It is used to predict physical properties as density, Young’s modulus, Poisson’s ratio and three isokom temperatures of specific values of the dynamic viscosity. After a recall of models to determine the elasticity properties, the deep learning method is presented with the databases used to build data-sets. To predict density, the fitting is achieved on the molar volume with a large data-set. For the Young’s modulus and according to the Makishima–Mackenzie’s model, the fitting is done on the atomic packing fraction. The Poisson’s ratio is determined according to the Makishima–Mackenzie’s theory involving also the atomic packing fraction. For each prediction, a comparison with experimental data is provided. Finally, predictions are used to see which glass family is the more relevant to optimize the specific Young’s modulus as a function of the “melting” temperature.
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基于物理的氧化玻璃固体和流体力学性能深度学习预测
深度学习技术是确定未知玻璃成分属性的有效方法。它用于预测密度、杨氏模量、泊松比和动态粘度特定值的三个等温线等物理性质。在回顾了确定弹性特性的模型后,介绍了深度学习方法和用于建立数据集的数据库。为了预测密度,利用大量数据集对摩尔体积进行了拟合。对于杨氏模量,根据 Makishima-Mackenzie 模型,根据原子堆积分数进行拟合。泊松比是根据牧岛-麦肯锡理论确定的,也涉及原子堆积分数。每个预测结果都与实验数据进行了比较。最后,通过预测结果可以看出哪种玻璃族更适合优化特定杨氏模量与 "熔化 "温度的函数关系。
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来源期刊
Journal of Non-crystalline Solids
Journal of Non-crystalline Solids 工程技术-材料科学:硅酸盐
CiteScore
6.50
自引率
11.40%
发文量
576
审稿时长
35 days
期刊介绍: The Journal of Non-Crystalline Solids publishes review articles, research papers, and Letters to the Editor on amorphous and glassy materials, including inorganic, organic, polymeric, hybrid and metallic systems. Papers on partially glassy materials, such as glass-ceramics and glass-matrix composites, and papers involving the liquid state are also included in so far as the properties of the liquid are relevant for the formation of the solid. In all cases the papers must demonstrate both novelty and importance to the field, by way of significant advances in understanding or application of non-crystalline solids; in the case of Letters, a compelling case must also be made for expedited handling.
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