Publications (8)
Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)
Hong Fang, Martin T. Dove, Leila H. N. Rimmer +1
Pressure and temperature dependence of the negative thermal expansion in Zn(CN) is fully investigated using molecular dynamics simulations with a built potential model. The adv…
Pressure-induced softening as a common feature of framework structures that have negative thermal expansion
Hong Fang, Martin T. Dove
Results of a series of molecular dynamics simulations of cubic siliceous zeolites suggest that pressure-induced softening -- the phenomenon in which a material becomes progressivel…
Common origin of exotic properties in ceramic and hybrid negative thermal expansion materials
Hong Fang, Martin T. Dove, Anthony E. Phillips
Many ceramic and hybrid metal-organic framework materials show negative thermal expansion (NTE): they \textit{contract} instead of expanding on heating \cite{Barrera_Miller_Lind_Ro…
An accurate moving wall boundary algorithm for Direct Simulation of Monte Carlo in unsteady rarefied flow
He Zhang, Fanli Shan, Hong Fang +3
An accurate algorithm is proposed to improve the prediction of a particle in collision with a moving wall within the direct simulation Monte Carlo (DSMC) framework for the simulati…
Efficient mesh deformation using radial basis functions with a grouping-circular-based greedy algorithm
Hong Fang, He Zhang, Fanli Shan +3
A grouping-circular-based (GCB) greedy algorithm is proposed to promote the efficiency of mesh deformation. By incorporating the multigrid concept that the computational errors on…
U-carbon: metallic and magnetic
Hong Fang, Michael Masaki, Anand B. Puthirath +6
We report the discovery of a pristine crystalline 3D carbon that is magnetic, electrically conductive and stable under ambient conditions. This carbon material, which has remained…
Temperature-dependent pressure-induced softening in Zn(CN)
Hong Fang, Anthony E. Phillips, Martin T. Dove +2
We investigate the temperature dependence of the pressure-induced softening in the negative thermal expansion material Zn(CN) using neutron powder diffraction and molecular dyn…
The Ag...Ag dispersive interaction and exotic physical properties of Ag3Co(CN)6
Hong Fang, Martin T. Dove, Keith Refson
We report a density functional theory (DFT) study of Ag3Co(CN)6, a material noted for its colossal positive and negative thermal expansion, and its giant negative linear compressib…