2024
DOI: 10.1021/acsami.4c01480
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Ab Initio Driven Exploration on the Thermal Properties of Al–Li Alloy

Xiaoya Chang,
Yongchao Wu,
Qingzhao Chu
et al.

Abstract: Al−Li alloys are feasible and promising additives in advanced energy and propellant systems due to the significantly enhanced heat release and increased specific impulse. The thermal properties of Al−Li alloys directly determine the manufacturing, storage safety, and ignition delay of propellants. In this study, a neural network potential (NNP) is developed to investigate the thermal behaviors of Al−Li alloys from an atomistic perspective. The novel NNP demonstrates an excellent predictive ability for energy, … Show more

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Cited by 3 publications
(1 citation statement)
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“…As the reactions proceed to 10 ps, the released heat transfers rapidly within the Al slab, resulting in a uniform temperature distribution due to its higher thermal conductivity. However, Li doping has been found to decrease the thermal conductivity of the alloy, as reported by Chang et al Specifically, the thermal conductivity of Al is 241.5 W/(m·K) whereas that of Al 3 Li is 101.9 W/(m·K), resulting in significantly slower heat transfer within the Al–Li alloy. The heat generated from the reaction accumulates at the AlLi–AP interface, thereby reducing the ignition delay of the system.…”
Section: Resultsmentioning
confidence: 68%
“…As the reactions proceed to 10 ps, the released heat transfers rapidly within the Al slab, resulting in a uniform temperature distribution due to its higher thermal conductivity. However, Li doping has been found to decrease the thermal conductivity of the alloy, as reported by Chang et al Specifically, the thermal conductivity of Al is 241.5 W/(m·K) whereas that of Al 3 Li is 101.9 W/(m·K), resulting in significantly slower heat transfer within the Al–Li alloy. The heat generated from the reaction accumulates at the AlLi–AP interface, thereby reducing the ignition delay of the system.…”
Section: Resultsmentioning
confidence: 68%