Recent progress and new directions in density functional theory based design of hard coatings
D Music, RW Geyer, JM Schneider - Surface and Coatings Technology, 2016 - Elsevier
Hardness, one key property of hard coatings, is proportional to shear modulus, which can be
predicted using density functional theory (DFT). Besides considering hardness, a design …
predicted using density functional theory (DFT). Besides considering hardness, a design …
First-principles calculations on wetting interface between Ag-Cu-Ti filler metal and SiC ceramic: Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1) interface
J Yang, Z Ye, J Huang, S Chen, Y Zhao - Applied Surface Science, 2018 - Elsevier
Abstract Interfacial properties of Ag (1 1 1)/SiC (1 1 1) interface and Ag (1 1 1)/TiC (1 1 1)
interface were researched by first-principles calculations to investigate the reason that Ag …
interface were researched by first-principles calculations to investigate the reason that Ag …
First-principles calculations on the interface of the Al/TiC aluminum matrix composites
ZJ Wang, S Liu, ZX Qiu, HY Sun, WC Liu - Applied Surface Science, 2020 - Elsevier
Abstract The Al-TiC composites with different TiC contents were synthesized by spark
plasma sintering. The microstructure and tensile properties were investigated by the …
plasma sintering. The microstructure and tensile properties were investigated by the …
First-principles investigation on the electronic property and bonding configuration of NbC (111)/NbN (111) interface
J Yang, J Huang, D Fan, S Chen - Journal of Alloys and Compounds, 2016 - Elsevier
Abstract The NbC (111)/NbN (111) interfaces were studied by first-principles calculation
based on density functional theory to supply the theoretical basis for developing the novel …
based on density functional theory to supply the theoretical basis for developing the novel …
First-principles calculations on Ni/W interfaces in Steel/Ni/W hot isostatic pressure diffusion bonding layer
In order to optimize the microstructure and improve the performance of Steel/Ni/W hot
isostatic pressure (HIP) diffusion bonding joint, the interfacial structure, electron orbital …
isostatic pressure (HIP) diffusion bonding joint, the interfacial structure, electron orbital …
First-principles calculations on interface structure and fracture characteristic of TiC/TiZrC nano-multilayer film based on virtual crystal approximation
J Yang, Y Wang, J Huang, W Wang, Z Ye… - Journal of Alloys and …, 2018 - Elsevier
Abstract TiC (100)/TiC (100) interface and TiC (100)/TiZrC (100) interface were studied by
first-principles calculation based on virtual crystal approximation for developing the novel …
first-principles calculation based on virtual crystal approximation for developing the novel …
First-principles calculations on physical properties of Ni3Snx binary system intermetallic compounds and Ni/Ni3Sn interfaces in Nickel-Tin TLPS bonding layer
Y Wang, J Yang, J Huang, W Wang, Z Ye, S Chen… - Intermetallics, 2018 - Elsevier
Abstract Physical properties of Ni 3 Sn x intermetallic compounds as well as the interfacial
properties of Ni/Ni 3 Sn interface were investigated by first-principles calculations for …
properties of Ni/Ni 3 Sn interface were investigated by first-principles calculations for …
Synthesis and characterization of Ta–B–C coatings prepared by DCMS and HiPIMS co-sputtering
This study reports on the deposition and properties of Ta–B–C coatings by the co-sputtering
of tantalum, boron carbide, and graphite targets using High Power Impulse Magnetron …
of tantalum, boron carbide, and graphite targets using High Power Impulse Magnetron …
Tribological behaviors of Mo2BC ceramics against various counterpart materials
In this study, the tribological behaviors of Mo 2 BC ceramics against four different
counterpart materials were studied. It was established that the tribological properties of Mo 2 …
counterpart materials were studied. It was established that the tribological properties of Mo 2 …
The tribological properties of short range ordered WBC protective coatings prepared by pulsed magnetron sputtering
In this study mid-frequency pulsed-DC magnetron sputtering was used to deposit WBC
coatings. The effect of coating composition and the deposition parameters on the structure …
coatings. The effect of coating composition and the deposition parameters on the structure …