CHINESE JOURNAL OF ENERGETIC MATERIALS
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数据驱动的熔铸炸药慢烤响应等级预测与配方设计
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中国工程物理研究院化工材料研究所,化爆安全全国重点实验室, 四川 绵阳 621999

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中物院科技创新发展基金(CXKS20240011),中国工程物理研究院院长基金自强项目(YZJJZQ2024003)


Data-Driven Prediction of Slow Cook-off Responses and Formulation Design for Melt-Cast Explosives
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National Key Laboratory of Chemical Explosion Safety, Institution of Chemical Materials, China Academy of Engineering, Mianyang 621999, China

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    面向熔铸炸药的慢烤响应评估与配方优化设计,针对试验高成本导致样本规模受限的典型工程场景,采用数据驱动方法研究“炸药配方组成—慢烤响应等级”的映射关系。在固定装药工艺与试验条件下获得22个配方实验样本,以12种组分质量分数为特征、响应等级为标签。针对少数类样本不足与等级类别不均衡,采用过采样技术扩充少数类样本,构建类别均衡的32样本数据集;并结合分层抽样和三折交叉验证,对比评估了有序逻辑回归、多项逻辑回归、随机森林与支持向量机四种分类模型,进一步开展组分贡献的可解释性分析。结果表明,无序模型优于有序模型,其中随机森林模型最佳(准确率0.79、精准率0.78、分数0.75),主要错分集中在爆燃与爆炸;特征重要性与工程经验基本一致,揭示了C、I、K为主导组分,其次为G、A、H。在此基础上提出“剖面扫描—小步验证—模型更新”的正向设计框架,通过部署模型可视化响应等级概率随组分变化的趋势,为候选配方筛选与迭代验证提供决策支撑。

    Abstract:

    Slow cook-off (SCO) response assessment and formulation optimization of melt-cast explosives are challenged by the high cost of experiments and the resulting limited sample size. To address this problem, a data-driven model linking formulation composition to SCO response level was developed. Twenty-two formulations were prepared using a fixed casting process and subsequently evaluated by SCO tests under fixed conditions. The mass fractions of 12 components were used as input features, and the SCO response level was used as the class label. To alleviate minority-class scarcity and class imbalance, SMOTE-based oversampling was applied to construct a class-balanced dataset containing 32 samples for model training and evaluation. Using stratified sampling and three-fold cross-validation, ordinal logistic regression, multinomial logistic regression, random forest, and support vector machine were comparatively evaluated. Component contributions were then analyzed to improve model interpretability. Results show that non-ordinal models outperform ordinal models, and the random forest model achieves the best performance (accuracy 0.79, precision 0.78, and F1-score 0.75). Misclassifications occur mainly between deflagration and explosion. The feature-importance ranking is broadly consistent with engineering experience, with component IDs C, I, and K identified as dominant, followed by G, A, and H. Based on these findings, a forward design framework termed “profile scanning-small-step validation-model updating” is proposed. By visualizing the variation in predicted SCO response probabilities with component mass fraction, the framework provides decision support for candidate formulation screening and iterative validation through experiments.

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刘柳,代晓淦,聂少云,等. 数据驱动的熔铸炸药慢烤响应等级预测与配方设计[J]. 含能材料,DOI:10.11943/CJEM2025266.

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  • 收稿日期: 2025-12-13
  • 最后修改日期: 2026-03-24
  • 录用日期: 2026-04-07
  • 在线发布日期: 2026-04-08
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