110 citations · 337 across the 12 of their papers we have counts for
12 papers
Enhanced radiation damage tolerance of amorphous interphase and grain boundary complexions in Cu-Ta
Doruk Aksoy, Penghui Cao, Jason R. Trelewicz +2
Amorphous interfacial complexions are particularly resistant to radiation damage and have been primarily studied in alloys with good glass-forming ability, yet recent reports sugge…
Neural Network Kinetics for Exploring Diffusion Multiplicity and Chemical Ordering in Compositionally Complex Materials
Bin Xing, Timothy J. Rupert, Xiaoqing Pan +1
Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity…
Influence of chemistry and structure on interfacial segregation in NbMoTaW with high-throughput atomistic simulations
Ian Geiger, Jian Luo, Enrique J. Lavernia +3
Refractory multi-principal element alloys exhibiting promising mechanical properties such as excellent strength retention at elevated temperatures have been attracting increasing a…
Exceptional electronic transport and quantum oscillations in thin bismuth crystals grown inside van der Waals materials
Laisi Chen, Amy X. Wu, Naol Tulu +14
Confining materials to two-dimensional forms changes the behavior of electrons and enables new devices. However, most materials are challenging to produce as uniform thin crystals.…
Maximum strength and dislocation patterning in multi-principal element alloys
Penghui Cao
Multi-principal element alloys (MPEAs), commonly termed as medium- or high-entropy alloys containing three or more components in high concentrations, render a tunable chemical shor…
Convolutional neural networks enable high-fidelity prediction of path-dependent diffusion barrier spectra in multi-principal element alloys
Zhao Fan, Bin Xing, Penghui Cao
The emergent multi-principal element alloys (MPEAs) provide a vast compositional space to search for novel materials for technological advances. However, how to efficiently identif…
Revealing hidden defects through stored energy measurements of radiation damage
Charles A. Hirst, Fredric Granberg, Boopathy Kombaiah +6
With full knowledge of a material's atomistic structure, it is possible to predict any macroscopic property of interest. In practice, this is hindered by limitations of the chosen…
Crystallization and glass transition in supercooled binary Lennard-Jones liquids
Penghui Cao
The classic Kob-Andersen (KA) binary Lennard-Jones mixtures which are designed to prevent crystallization has been extensively studied in simulation of slow dynamics. Although crys…
Surface Shear Transformation Zones in Amorphous Solids
Penghui Cao, Xi Lin, Harold S. Park
We perform a systematic study of the characteristics of shear transformation zones (STZs) that nucleate at free surfaces of two-dimensional amorphous solids subject to tensile load…
Strain-rate and temperature dependence of yield stress of amorphous solids via self-learning metabasin escape algorithm
Penghui Cao, Xi Lin, Harold S. Park
A general self-learning metabasin escape (SLME) algorithm~\citep{caoPRE2012} is coupled in this work with continuous shear deformations to probe the yield stress as a function of s…
Strain-rate and temperature-driven transition in the shear transformation zone for two-dimensional amorphous solids
Penghui Cao, Harold S. Park, Xi Lin
We couple the recently developed self-learning metabasin escape algorithm, which enables efficient exploration of the potential energy surface (PES), with shear deformation to eluc…
Density functional theory calculation of edge stresses in monolayer MoS
Zenan Qi, Penghui Cao, Harold S. Park
We utilize density functional theory to calculate the edge energy and edge stress for monolayer MoS nanoribbons. In contrast to previous reports for graphene, for both armcha…