3 papers
cond-mat.mtrl-sci2025
Understanding the atomically precise evolution of the miscibility of newly prepared face-centered cubic W-Cu nanoalloys and its asymmetry
Yongxin Zhang, Weihan Zhang, Luneng Zhao +16
According to classical Miedema theory, reducing crystals to the order of nanometer sizes might greatly modulate the mixing enthalpy of elements, thus enabling the invention of a lo…
cond-mat.mtrl-sci2024
Active learning of effective Hamiltonian for super-large-scale atomic structures
Xingyue Ma, Hongying Chen, Ri He +8
The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the…
cond-mat.mtrl-sci2024
Layer-by-layer connection for large area single crystal boron nitride multilayer films
Hui Shi, Mingyuan Wang, Hongying Chen +14
Boron nitride (BN) is today considered as one of the most promising materials for many novel applications including bright single photon emission, deep UV opto-electronics, small s…