23 citations · 56 across the 5 of their papers we have counts for
5 papers
Shortest paths govern fracture nucleation in thermoset networks
Zheng Yu, Nicholas E. Jackson
In this work, we introduce a predictive approach for determining fracture nucleation in thermosets based on shortest paths (SPs) of the network topology. This method enumerates SP…
How close are the classical two-body potentials to ab initio calculations? Insights from linear machine learning based force matching
Zheng Yu, Ajay Annamareddy, Dane Morgan +1
In this work, we propose a linear machine learning force matching approach that can directly extract pair atomic interactions from ab initio calculations in amorphous structures. T…
Understanding the fragile-to-strong transition in silica from microscopic dynamics
Zheng Yu, Dane Morgan, M. D. Ediger +1
In this work, we revisit the fragile-to-strong transition (FTS) in the simulated BKS silica from the perspective of microscopic dynamics in an effort to elucidate the dynamical beh…
Structural Signatures for Thermodynamic Stability in Vitreous Silica: Insight from Machine Learning and Molecular Dynamics Simulations
Zheng Yu, Qitong Liu, Izabela Szlufarska +1
The structure-thermodynamic stability relationship in vitreous silica is investigated using machine learning and a library of 24,157 inherent structures generated from melt-quenchi…
Optical properties of dense lithium in electride phases by first-principles calculations
Zheng Yu, Hua Y. Geng, Y. Sun +1
The metal-semiconductor-metal transition in dense lithium is considered as an archetype of interplay between interstitial electron localization and delocalization induced by compre…