Multiple nano-phases and nano-complexes feature the typical microstructures of current
commercial Al-Li alloys. We present a combined first-principles and scanning transmission …

Understanding the effect of alloying elements on shock behaviors is significant for
constitutive model of alloy materials at under dynamic high pressure. However, an in-depth …

As a principal alloying element, carbon plays a key role in enhancing the mechanical
properties of steels. Understanding the interstitial sites occupied by carbon atoms is crucially …

The compatibility between Fe-based alloys and liquid Li is crucial for the development of
liquid Li blanket in the fusion devices. In this work, molecular dynamics (MD) simulations …

摘要经过几十年的研究, 对现有反应堆合金材料服役工况下的腐蚀问题及规律已经有了较为清晰
的认识, 但是依然存在一些待解决的问题, 如对反应堆合金材料腐蚀中本质过程的理解 …

In this article, molecular dynamics simulation is used to primarily explore the lattice matching
problem of solute atoms in different configurations after entering the Fe lattice at 0 K …