期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (6)
With the development of experimental techniques and characterization methods at the microscopic scale, a high concentration of hydrogen-induced vacanc......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (6)
Eu-doped rare earth sesquioxides RE2O3:Eu (RE = Lu, Y, Sc) exhibit subtle difference in scintillation processes, for which impurity levels play an imp......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (4)
Shock compression behaviors of copper single crystals at room and elevated temperatures are investigated by molecular dynamics simulations. The result......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (7)
Phase field crystal models have been extensively employed to investigate solidification process of melt, solid-state precipitation, crack propagation,......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (7)
Quaternary NbTiZr-based refractory high entropy alloys (RHEAs) have been studied in present work systematically based on empirical parameters and firs......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (7)
The interaction of Ti-O clusters with one another and with the surrounding steel melt results in changes in size and shape, which affect strength and ......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (5)
The graphene-reinforced metal matrix composites (Gr/MMCs), prepared by additive manufacturing technology, render a wide range of promising application......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (5)
The current study presents a micromechanical methodology to analyze the cracking behavior of a SiC/SiC composite with multilayer interphase using fini......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (6)
To study the corrosion process and the pit interactions of multi-pit corrosion covered by an anticorrosive coating, we present a three-dimensional cel......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (4)
The conjugate bridge plays an important role in the D-pi-A sensitizers, which affects the optical properties, energy levels and electron transfer from......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (5)
Recently, the use of the phase-field method (PFM) to simulate the fracture process of brittle materials has attracted increasing attention. The PFM de......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (5)
Hydrogels have attractive characteristics such as notable biocompatibility, outstanding hydrophilia and efficient mass transport (MT), which makes hyd......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (6)
As a sequel to the previous paper on the calculation of the crystal-melt interface free energy (2021 Materialia 15 100962), here we report the results......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (6)
Due to a great number of composition-processing factors, it is very difficult to design high entropy amorphous alloys without performing manifold tria......
期刊： MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021; 29 (4)
The atomic structure, interface stability and electronic interaction of TaB2(0001)/SiC(111) interfaces were investigated by first principles calculati......
