Fan Qunbo' Xu Sun· Yang Lin'Cheng Xingwang
1 National Key Laboratory of Science and Technology on Materials Under Shock and Impact, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing, 100081, China
2Tangshan Research Institute, Beijing Institute of Technology, Tangshan 063000, China
EXTENDED ABSTRACT: Titanium alloys are ideal materials for a new generation of high-performance warhead shells due
to excellent properties. However, current titanium alloys cannot meet the increasingly demanding service requirements. Most
of the current methods for composition design are based on experiments without a specific physical mechanism. It is urgent to develop efficient and fast cross-scale calculation methods to design a new generation of high-performance titanium alloy for
warheads. This team studied the efficient transfer of parameters and the accurate modeling of statistical physical phenomena.
Through first-principle and plane wave pseudopotential methods, a high-throughput calculation method has been developed for the basic physical property parameters. The elastic modulus and other
parameters of multi-phase alloys with various compositions and structures were calculated, avoiding the limitation of traditional first-principle method 

to calculate charge density. A platform based on GPU acceleration and three­dimensional reconstruction was developed with an acceleration ratio increased by 10 times. The complex structure of multi-component titanium alloy is predicted under multi-physical fields, revealing the influence of composition, structure and heat treatment on microstructure. A highly reliable calculation method is established. Thus, a cross-scale calculation method is built. It provides a theoretical and technical support for development of materials for high-velocity penetration condition.

Keywords: ICME; Titanium alloys; Warhead; Multiscale