Yuhang Li

Dr. Yuhang Li

orcid

Research Focus & Metrics

Academic Career Length

2Years (2025-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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20 May 2025 in Nanomaterials
Verified
Journal Article
Open access
PDF file
MGMiao Gao
Miao Gao
XBXiaorui Bie
Xiaorui Bie
YWYi Wang
Yi Wang
YLYuhang Li
Yuhang Li
ZZZhaoyang Zhai
Zhaoyang Zhai
XZXudong Zou
Xudong Zou
Accurate predictions of elastic properties under varying doping concentrations and temperatures are critical for designing reliable silicon-based micro-/nano-electro-mechanical systems (MEMS/NEMS). Empirical potentials typically lack accuracy for elastic predictions, whereas density functional theory (DFT) calculations are precise but computationally expensive. In this study, we developed a highly accurate and efficient machine learning-based Deep Potential (DP) model to predict the elastic constants of phosphorus-doped silicon (Si64−xPx, x = 0, 1, 2, 3, 4) within a temperature range of 0–500 K. The DP model was rigorously validated against benchmark DFT results. At 0 K, the elastic constants predicted by our DP model exhibited excellent agreement with experimental data, achieving a mean absolute percentage error (MAPE) of only 2.88%. We investigated the effects of doping on elastic constants in single-crystal silicon and determined their second-order temperature coefficients. The calculations demonstrated distinct doping-induced variations, showing pronounced decreases in C11 and C44 and a moderate increase in C12. Finite-element analyses using the fitted temperature coefficients indicated improved thermal stability of silicon resonators through phosphorus doping. Our study explores the integration of machine learning-based atomic-scale simulations with MEMS/NEMS design, providing practical guidance for optimal dopant selection to enhance silicon resonator thermal stability.