Baobin Xie, Yang Chen, Weizheng Lu, Jia Li^*, Qihong Fang^*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.33, No.4, 2025, DOI:10.32604/icces.2025.010608

Abstract Multi-principal element alloys have aroused extensive attention due to their outstanding mechanical, physical, and chemical performances. To achieve performance-orientated design with high efficiency and low cost and further predict the deformation mechanism, new design approaches and cross-simulation methods need to be developed. Here, we propose i) the approach combining with high-throughput atomic simulations, mechanical models as well as machine learning, to efficiently search optimal composition and microstructure [1,2]; (ii) a multistage design framework integrating physical laws, mechanical models and machine learning, to solve the two key problems--the forward problem (composition to performance) and the inverse More >

Weizheng Lu, Shuo Wang, Yang Chen, Jia Li^*, Qihong Fang^*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.33, No.3, pp. 1-1, 2025, DOI:10.32604/icces.2025.010711

Abstract The multi-principal elemental alloys (MPEAs) exhibit excellent combinations of mechanical properties and radiation-resistant, are considered potential candidates for aerospace industries and advanced reactors. However, the quantitative contribution of microstructure on the strengthening mechanism remains challenging at the micro-scale, which greatly limits the long-term application. To address this, we developed a hierarchical multiscale simulation framework that covers potential physical mechanisms to explore the hardening effects of chemical short-range order (CSRO) and irradiation defects in MPEA. Firstly, by combining atomic simulation, discrete dislocation dynamics, and crystal plasticity finite element method, a hierarchical cross-scale model covering heterostructure lattice… More >

Yang Chen¹, Baobin Xie¹, Weizheng Lu¹, Jia Li^1,*, Qihong Fang^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.30, No.4, pp. 1-2, 2024, DOI:10.32604/icces.2024.011624

Abstract In order to accurately predict and evaluate the mechanical properties of multi-principal element alloys (MPEAs), some new models and simulation methods need to be developed to solve the problems caused by its unique natural characteristics, such as severe lattice distortion. The existing models are based on the development of low concentration alloys, and cannot be well applied to MPEAs. Here, we develop i) the random field theory informed discrete dislocation dynamics simulations based on high-resolution transmission electron microscopy, to systematically clarify the role of heterogeneous lattice strain on the complex interactions between the dislocation loop… More >

Yang Chen¹, Jing Peng¹, Shuo Wang¹, Chao Jiang¹, Jia Li^1,*, Qihong Fang^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.29, No.4, pp. 1-2, 2024, DOI:10.32604/icces.2024.012299

Abstract Nuclear energy demands radiation-resistant metal materials. Multi-principal element alloys (MPEAs) show superior radiation resistance over traditional alloys due to lattice distortion, promising for advanced reactors. However, damage evolution and mechanical performance of irradiated MPEAs under loading are unclear, limiting long-term application. We investigated hardening behavior induced by irradiation defects like dislocation loops and voids in MPEAs using crystal plasticity models and experiments. Here, we developed i) a stochastic field theory-based discrete dislocation dynamics simulation. A novel cross-slip mechanism in irradiated crystals was unveiled through co-linear reactions between dislocations and diamond perfect loops [1]; ii) With… More >