Size-dependent phase transition dynamics in HMX crystals: Mechanistic insights from defect-mediated transformation

IF 3.1 2区化学 Q2 CHEMISTRY, ANALYTICAL

Thermochimica Acta Pub Date : 2025-04-17 DOI:10.1016/j.tca.2025.180012

Xingang Meng , Zhiqiang Wang , Jianping Song , Yuting Tao , Haobin Zhang , Shiliang Huang , Jie Sun , Xiong Cao , Jinjiang Xu

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Abstract

The size effects of energetic materials (EMs) particles has a profound influence on their solid-state phase transition (PT) and structural damage. In this study, the PT behavior of large-sized 1,3,5,7-tetranitro-1,3,5,7-tetrazole (HMX) was studied by a series of characterization methods. It has been demonstrated that both internal defects and surface damage of large-size HMX occur approximately 20 °C earlier than that of small-size HMX. The kinetic analysis demonstrates that the PT of large-size HMX is comprised of two distinct steps. The initial step is characterised by fragmentation, while the subsequent step represents the PT in its strict sense. This makes the PT process appear more clearer in comparison to the powder form of HMX. Additionally, it was determined that varying humidity levels exert an influence on the HMX phase recover. This provides fundamental support for a correct understanding of HMX solid-state PT.

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HMX 晶体中与尺寸有关的相变动力学：缺陷介导转变的机理启示

含能材料（EMs）颗粒的尺寸效应对其固相转变（PT）和结构损伤有着深远的影响。本研究通过一系列表征方法研究了大尺寸1,3,5,7-四硝基-1,3,5,7-四唑（HMX）的PT行为。结果表明，大尺寸HMX的内部缺陷和表面损伤都比小尺寸HMX早20℃左右发生。动力学分析表明，大尺寸HMX的PT由两个不同的步骤组成。最初的步骤以碎片化为特征，而随后的步骤则代表严格意义上的PT。这使得PT工艺与HMX的粉末形式相比显得更加清晰。此外，确定了不同湿度水平对HMX相恢复的影响。这为正确理解HMX固态PT提供了基础支持。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Thermochimica Acta 化学-分析化学

CiteScore

6.50

自引率

8.60%

发文量

210

审稿时长

40 days

期刊介绍： Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application. The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta. The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processes