期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 195 ()
Pore system strongly affects durability of building materials. Therefore, representative models for pore system and evolution of the pore system durin......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 196 ()
One of promising directions of the modern solar cells' development is related to the use of the ternary chalcopyrite crystals (CuInS2, CuGaS2 etc.) an......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 187 ()
This paper investigated the wear mechanism of diamond during the atomic force microscope (AFM) tip-based nanomachining of Gallium Arsenide (GaAs) usin......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 198 ()
Band gap is one of the most important parameters determining the electronic, optoelectronic, and other applications of a wide range of materials inclu......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 195 ()
Graphene (G) and its derivatives exhibit great potential as oil-based additives to enhance the anti-friction capacity of amorphous carbon (a-C) interf......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 191 ()
It is uncertain that the interfacial bonding is whether a strong chemical bond or a weak van der-Waals one in graphene-metal composites. The effect of......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 187 ()
Over the last two decades, the field of computational science has seen a dramatic shift towards incorporating high-throughput computation and big-data......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 186 ()
In modern electric systems, partial discharge (PD) or local overheating happens inevitably, leading to the SF6 insulated switchgears decomposition int......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 194 ()
We used density-functional theory to assess the electronic structure, elastic properties and planar fault energies of the B2 Ti(AlxNb1-x) (0.2 <= x......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 186 ()
Graphene oxide (GO) cementitious composites have recently attracted considerable interest due to their improved mechanical properties and durability. ......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 192 ()
The effect of magnetism on the solid solution strengthening (SSS) of CrxCoyNi1?x?y alloys formulated by Varvenne?s and Toda-Caraballo?s (TC?s) models ......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 197 ()
The increasing demand of energy storage devices has developed an urgent need of rechargeable batteries. Sodium ion batteries (SIBs) may have potential......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 197 ()
A comparison between (k) over right arrow . (p) over right arrow and tight-binding methods for the analysis of InAs/GaAs quantum dot bandstructures is......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 192 ()
Considerable research interests have been paid to the rare-earth (RE) Yb3+-doped Y2O3 crystal which is of great potential for application as a solid-s......
期刊： COMPUTATIONAL MATERIALS SCIENCE, 2021; 198 ()
Fiber reinforced plastic (FRP) is known to possess advantages of high strength and low density, and it is extensively used in engineering structures. ......
