activity
20152017
most citedDevelopment of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene

52 citations · 140 across the 8 of their papers we have counts for

collaborators

8 papers

physics.med-ph2017

Mechanical analysis of pimple growth and pain level characterization

Xiangbiao Liao, Xiaobin Deng, LiangLiang Zhu +4

Pimple is one of the most common skin diseases for humans. The mechanical modeling of pimple growth is very limited. A finite element model is developed to quantify the deformation…

cond-mat.soft2017★ 1 cited

Unconventional Localization Prior to Wrinkles and Controllable Surface Patterns of Film Substrate Bilayers Through Patterned Defects in Substrate

Xiangbiao Liao, Liangliang Zhu, Hang Xiao +4

A novel bilayer is introduced, consisting of a stiff film adhered to a soft substrate with patterned holes beneath the film and substrate interface. To uncover the transition of su…

physics.atm-clus2017

The catalytic effect of water in basic hydrolysis of CO in hydrated clusters

Hang Xiao, Xiaoyang Shi, Yayun Zhang +4

The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affe…

physics.comp-ph2017★ 52 cited

Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene

Hang Xiao, Xiaoyang Shi, Feng Hao +3

ReaxFF provides a method to model reactive chemical systems in large-scale molecular dynamics simulations. Here, we developed ReaxFF parameters for phosphorus and hydrogen to give…

cond-mat.mtrl-sci2016★ 11 cited

Prediction of a Two-dimensional Sulfur Nitride (S3N2) Solid for Nanoscale Optoelectronic Applications

Hang Xiao, Xiaoyang Shi, Feng Hao +3

Two-dimensional materials have attracted tremendous attention for their fascinating electronic, optical, chemical and mechanical properties. However, the band gaps of most 2D mater…

cond-mat.mes-hall2016★ 2 cited

Prediction of a Two-dimensional Phosphorus Nitride Monolayer

Hang Xiao, Feng Hao, Xiangbiao Liao +3

Today, 2D semiconductor materials have been extended into the nitrogen group: phosphorene, arsenene, antimonene and even nitrogene. Motivated by them, based upon first-principles d…

cond-mat.mtrl-sci2016★ 40 cited

Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes

Xiangbiao Liao, Feng Hao, Hang Xiao +1

Using molecular dynamics (MD) simulations, we explore the structural stability and mechanical integrity of phosphorene nanotubes (PNTs), where the intrinsic strain in the tubular P…

cond-mat.mtrl-sci2015★ 34 cited

Thermal conductivity of armchair black phosphorus nanotubes: a molecular dynamics study

Feng Hao, Xiangbiao Liao, Hang Xiao +1

The effects of size, strain, and vacancies on thermal properties of armchair black phosphorus nanotubes are investigated based on qualitative analysis from molecular dynamics simul…