Huiqiu Deng
0000-0001-8986-104X
Hunan University / 湖南大学
264 papers found
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A first-principles investigation of the ScO2 monolayer as the cathode material for alkali metal-ion batteries
Retention and diffusion of transmutation H and He atoms in Be12Ti: first-principles calculations
Revealing reaction mechanisms of nanoconfined Li2S: implications for lithium–sulfur batteries
An ab initio study for probing iodization reactions on metallic anode surfaces of Li–I2 batteries
Surface premelting/recrystallization governing the collapse of open-cell nanoporous Cu via thermal annealing
Theoretical prediction of LiScO2 nanosheets as a cathode material for Li–O2 batteries
Molecular dynamics simulations of the characteristics of Mo/Ti interfaces
Shock wave propagation, plasticity, and void collapse in open-cell nanoporous Ta
First-principles study of the adsorption properties of atoms and molecules on UN2 (001) surface
Non-equilibrium molecular dynamics simulations of the spallation in Ni: Effect of vacancies
Atomistic simulations of solidification process in B2-LiPb solid(0 0 1)-liquid system
A molecular dynamics study of the transport properties of LiF-BeF 2 -ThF 4 molten salt
Molecular dynamics simulation of wetting behaviors of Li on W surfaces
The effects of interstitial impurities on the mechanical properties of vanadium alloys: A first-principles study
Atomistic simulation of crack propagation in single crystal tungsten under cyclic loading
Behaviors of transmutation elements Re and Os and their effects on energetics and clustering of vacancy and self-interstitial atoms in W
Molecular dynamics simulations of the structure evolutions of Cu-Zr metallic glasses under irradiation
Investigation of the shock-induced chemical reaction (SICR) in Ni + Al nanoparticle mixtures
Orientation dependences of the Fe-Li solid-liquid interface properties: Atomistic simulations
Simulation of radiation damages in molybdenum by combining molecular dynamics and OKMC
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