| Literature DB >> 35683323 |
Ying Zhang1, Jingqin Wang1, Yancai Zhu1, Defeng Cui2, Ningyi Lu3.
Abstract
Ag/Ni contact material with greenery and good performance is a cadmium-free silver-based contact material that has been vigorously developed in recent years. However, Ag/Ni contact material has poor welding resistance. Based on the first principles of density functional theory, the interface model of Cu, C-doped Ag/Ni was established. The work of separation and interfacial energy of interface models showed that doping can improve the interfacial bonding strength and interfacial stability, with C-doped Ag/Ni having the strongest stability and interfacial bonding strength. It can be seen from the population and density of state that covalent bonds exist between Ag and Ni atoms of the Ag/Ni phase interface at the electronic structure level. Finally, the doped Ag/Ni contact material was prepared by the powder metallurgy method. Through the arc energy and welding force in the electrical contact experiment, it was obtained that the welding resistance of C-doped Ag/Ni was better than Cu-doped Ag/Ni contact material, which verified the correctness of the simulation results. Overall, the present study provides a theoretical method for the screening of doping elements to improve the performance of Ag/Ni contact material.Entities:
Keywords: Ag/Ni contact material; density functional theory; doping; interfacial bonding strength
Year: 2022 PMID: 35683323 PMCID: PMC9182508 DOI: 10.3390/ma15114019
Source DB: PubMed Journal: Materials (Basel) ISSN: 1996-1944 Impact factor: 3.748
Figure 1Interface model: (a) Ag/Ni, and (b) Cu-doped Ag(110)/Ni(211).
Atomic ratio and mass ratio.
| Material | Atomic Ratio | Mass Ratio |
|---|---|---|
| Ag:Ni | 36:12 | 84.65%:15.35% |
| Ag:Ni:Cu | 36:11:1 | 84.56%:14.06%:1.38% |
| Ag:Ni:C | 36:11:1 | 85.52%:14.22%:0.26% |
The work of interfacial separation.
| Model | Energy (eV) | A (Å) | B (Å) | |
|---|---|---|---|---|
| Ag/Ni | Ag: −144,212.05 | 12.493 | 2.8887 | 0.0352 |
| Ni: −16,341.01 | ||||
| AgNi15: −160,554.33 | ||||
| Ag/Ni-Cu | Ag: −144,212.05 | 12.379 | 2.8926 | 0.0379 |
| NiCu: −16,659.89 | ||||
| AgNi15Cu: 160,873.30 | ||||
| Ag/Ni-C | Ag: −144,212.05 | 12.235 | 2.9020 | 0.0411 |
| NiC: −15,135.99 | ||||
| AgNi15C: −159,349.50 |
Interfacial energy.
| Model | |||
|---|---|---|---|
| Ag/Ni | 0.0384 | 0.1495 | 0.1527 |
| Ag/Ni-Cu | 0.0384 | 0.1439 | 0.1444 |
| Ag/Ni-C | 0.0384 | 0.1021 | 0.0993 |
Figure 2Density of states: (a) Ag/Ni, (b) Ag/Ni-Cu, and (c) Ag/Ni-C.
Mulliken charge population.
| Model | Atom Population | |||
|---|---|---|---|---|
| Ag | Ni | Cu | C | |
| Ag/Ni | −0.00417 | 0.0142 | ||
| Ag/Ni-Cu | −0.00333 | 0.00273 | 0.05 | |
| Ag/Ni-C | −0.00306 | 0.073 | −0.69 | |
Bond populations and average values for various types of bonds.
| Model | Bond Populations/Average Values | ||||
|---|---|---|---|---|---|
| Ag-Ag | Ag-Ni | Ni-Ni | Ag-X | Ni-X | |
| Ag/Ni | −0.04~0.39/0.249 | 0.12~0.41/0.268 | −0.38~0.63/0.311 | ||
| Ag/Ni-Cu | 0.01~0.38/0.254 | 0.42/0.420 | −0.42~0.63/0.135 | 0.11/0.110 | −0.56~0.34/−0.028 |
| Ag/Ni-C | 0.07~0.38/0.312 | 0.15~0.49/0.340 | −0.36~0.58/0.133 | 0.17~0.79/0.493 | |
Figure 3X-ray diffraction pattern.
Figure 4Arc energy: (a) Ag/Ni, (b) Ag/Ni-Cu, and (c) Ag/Ni-C.
Figure 5Welding force: (a) Ag/Ni, (b) Ag/Ni-Cu, and (c) Ag/Ni-C.
Arc energy and welding force.
| Material | Arc Energy/mJ | Welding Force/cN | ||||
|---|---|---|---|---|---|---|
| Minimum | Maximum | Average | Minimum | Maximum | Average | |
| Ag/Ni | 146.4 | 336.8 | 252.5 | 58.5 | 108.7 | 76.4 |
| Ag/Ni-Cu | 146.0 | 263.9 | 209.1 | 59.5 | 90.5 | 73.5 |
| Ag/Ni-C | 151.8 | 258.7 | 204.9 | 52.8 | 90.4 | 71.9 |