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Temperature Dependence of Mechanical Properties in Molecular Crystals

机译：分子晶体中机械性能的温度依赖性

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Quantitative evaluation of the mechanical behavior of molecular materials by a nanoindentation technique has gained prominence recently. However, all the reported data have been on room-temperature properties despite many interesting phenomena observed in them with variations in temperature. In this paper, we report the results of nanoindentation experiments conducted as a function of temperature, T, between 283 and 343 K, on the major faces of three organic crystals: saccharin, sulfathiazole (form 2), and L-alanine, which are distinct in terms of the number and strength of intermolecular interactions in them. Results show that elastic modulus, E, and hardness, H, decrease markedly with increasing T. While E decreases linearly with T, the variations in H with T are not so, and were observed to drop by similar to 50% over the range of T investigated. The slope of the linear fits to E vs T for the organic crystals was found to be around 1, which is considerably higher than the values of 0.3-0.5 reported in the literature for metallic, ionic, and covalently bonded crystalline materials. Possible implications of the observed remarkable changes in H for pharmaceutical manufacturing are highlighted.
机译：近年来，利用纳米压痕技术对分子材料的力学行为进行定量评估已成为人们关注的焦点。但是，所有报告的数据都是关于室温特性的，尽管它们随温度变化观察到许多有趣的现象。在本文中，我们报告了在3种有机晶体（糖精，磺胺噻唑（形式2）和L-丙氨酸）的主要表面上随温度T在283和343 K之间变化而进行的纳米压痕实验的结果。它们之间的分子间相互作用的数量和强度各不相同。结果表明，弹性模量E和硬度H随T的增加而显着降低。尽管E随T线性降低，但H随T的变化并非如此，并且观察到在T的范围内下降了约50％。 T进行了调查。对于有机晶体，线性拟合相对于E对T的斜率被发现为约1，这大大高于文献中针对金属，离子和共价键合的晶体材料报道的0.3-0.5的值。强调了观察到的H的显着变化对制药业的可能影响。

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