activity
20202023
most citedAccurate prediction of heat conductivity of water by a neuroevolution potential

63 citations · 115 across the 11 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

6 papers · 1 filter

cond-mat.mtrl-sci2021

Mechanical Ductile Detwinning in CH3NH3PbI3 Perovskite

Li Yang, Jinjie Liu, Yanwen Lin +4

Twin boundaries (TBs) were identified to show conflicting positive/negative effects on the physical properties of CH3NH3PbI3 perovskite, but their roles on the mechanical propertie…

cond-mat.mtrl-sci2021★ 1 cited

Strengthening and Weakening by Dislocations in Monolayer MoS2

Li Yang, Jinjie Liu, Yanwen Lin +4

Dislocations govern the properties of any crystals. Yet, how dislocation of pentagonheptagon (5|7) in grain boundaries (GBs) affects the mechanical properties of two-dimensional Mo…

cond-mat.mtrl-sci2021★ 6 cited

Effect of Interfacial Dipole on Heterogeneous Ice Nucleation

Hao Lu, Quanming Xu, Jianyang Wu +2

In this letter, we performed molecular dynamics simulations of ice nucleation on a rigid surface model of cubic zinc blende structure with different surface dipole strength and ori…

cond-mat.mtrl-sci2020

Mechanical Metastructures of Triple Periodic Carbon Clathrates

Jinghui Zhu, Ke Xu, Zhisen Zhang +1

Clathrates are lightweight, cage-like, fully-sp3 three dimensional (3D) structures that are experimentally-available for several host elements of the IV group. However, carbon clat…

cond-mat.mtrl-sci2020

The Effect of Dipole from -AgI Substrates on Heterogeneous Ice Nucleation

Hao Lu, Quanming Xu, Chaohong Wang +4

Heterogeneous ice nucleation is one of the most common and important process in the physical environment. AgI has been proved to be an effective ice nucleating agent in the process…

cond-mat.mtrl-sci2020★ 2 cited

Oxygen Functionalization-induced Crossover in the Tensile Properties of thinnest 2D Ti2C MXene

Hongzhi Yu, Ke Xu, Zhisen Zhang +2

Transition metal carbides/nitrides (MXenes) are a newly developing class of two-dimensional (2D) materials with technically robust properties that can be finely tuned by planar sur…