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7 papers · 2 filters
Prediction of large barocaloric effects in thermoelectric superionic materials
Jie Min, Arun K. Sagotra, Claudio Cazorla
We predict the existence of large barocaloric effects above room temperature in the thermoelectric fast-ion conductor CuSe by using classical molecular dynamics simulations a…
Magnetic, electrochemical and thermoelectric properties of
M. H. N. Assadi, S. Li, R. K. Zheng +2
We theoretically investigated the electronic, electrochemical and magnetic properties of Sb doped ( and ). dopants adopt +5 oxidation state…
Chemical Ordering and Crystal Nucleation at the Liquid Surface: A Comparison of and Alloys
Chunguang Tang, Peter Harrowell
We study the influence of the liquid-vapor surface on the crystallization kinetics of supercooled metal alloys. While a good glass former, , shows no evid…
Temperature rise in shear bands in a simulated metallic glass
Chunguang Tang, Jiaojiao Yi, Wanqiang Xu +1
Temperature rise () associated with shear-banding of metallic glasses is of great importance for their performance. However, experimental measurement of is difficult due t…
Formation and dilatation of shear bands in a Cu-Zr metallic glass: A free volume perspective
Chunguang Tang, Hailong Peng, Yu Chen +1
We study the tensile deformation behaviour of metallic glass CuZr as a function of quenching rate using molecular dynamics simulations. The atomic scale shearing is f…
Atomistic origin of stress overshoots and serrations in a CuZr metallic glass
Chunguang Tang, Kevin Laws, Michael Ferry
In this work we use molecular dynamics simulations to study the stress overshoots of metallic glass CuZr in three scenarios (unloading-reloading, slide-stop-slide, an…