63 citations · 115 across the 11 of their papers we have counts for
11 papers
Accurate prediction of heat conductivity of water by a neuroevolution potential
Ke Xu, Yongchao Hao, Ting Liang +4
We propose an approach that can accurately predict the heat conductivity of liquid water. On the one hand, we develop an accurate machine-learned potential based on the neuroevolut…
Abnormally High Thermal Conductivity in Fivefold Twinned Diamond Nanowires
Ting Liang, Ke Xu, Meng Han +5
Fivefold twins (5FTs), discovered nearly 200 years ago, are a common multiply twinned structure that usually dramatically deteriorate the thermal transport properties of nanomateri…
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…
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…
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…
Tensile properties of structural I clathrate hydrates:Role of guest-host hydrogen bonding ability
Yue Xin, Qiao Shi, Ke Xu +2
Clathrate hydrates (CHs) are one of the most promising molecular structures in applications of gas capture and storage, and gas separations. Fundamental knowledge of mechanical cha…
Mechanical Creep Instability of Nanocrystalline Methane Hydrates
Pinqiang Cao, Jianlong Sheng, Jianyang Wu +1
Mechanical creep behaviors of natural gas hydrates (NGHs) are of importance for understanding mechanical instability of gas hydrate-bearing sediments on Earth. Limited by the exper…
Classical nucleation theory of ice nucleation: second-order correction of thermodynamic parameters
Chaohong Wang, Hao Wang, Jianyang Wu +1
Accurate estimate of nucleation rate is crucial for the study of ice nucleation and ice-promoting/anti-freeze strategies. Within the framework of Classical Nucleation Theory (CNT),…
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…
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…
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…