4 papers
Directed impulsive molecular dynamics reveal energy-routing pathways of bond cleavage in TATB
Guanchen Dong, Xiaona Huang, Yuxuan Chen +5
Responses of energetic materials to external stimuli involve more than uniform thermalization. Understanding directional energy redistribution is essential for structural and ignit…
Knowledge-Guided Construction of Machine Learning Potentials for Reactive Behavior in Energetic Materials
Guanchen Dong, Huanrong Liu, Lin Wang +12
Energetic materials involve multiple interactions, making reliable machine-learning potentials (MLPs) difficult to construct without extensive datasets. Here, we enhance the abilit…
Turing Pattern Engineering Enables Kinetically Ultrastable yet Ductile Metallic Glasses
Huanrong Liu, Qingan Li, Shan Zhang +3
Enhancing the kinetic stability of glasses often necessitates deepening thermodynamic stability, which typically compromises ductility due to increased structural rigidity. Decoupl…
Linking Thermal History to Shear Band Interaction and Macroscopic Ductility in Metallic Glasses
Lechuan Sun, Shan Zhang, Bin Xu +3
Shear band propagation and interaction are critical to the mechanical performance of metallic glasses and are strongly governed by thermal history, yet their microscopic mechanisms…