Fig. 1. Cubooctahedral cluster in Cu matrix.基体Cu中立方八面体团簇
Fig. 2. Three configurations of δ-Ni2Si cluster
δ-Ni2Si团簇的三种构型
Fig. 3. Radial atomic density around 3 different sites Ni1, Ni2 and Si1 in the δ-Ni2Si phase.
δ-Ni2Si相中分别以Ni1, Ni2, Si1为心部原子的团簇径向原子密度
Fig. 4. Thirteen configurations of γ-Ni5Si2 cluster
γ-Ni5Si2团簇的十三种构型
Fig. 5. Radial atomic density around 13 different sites Ni1, Ni2, Si1, Ni3, Ni4, Si2, Si3, Si4, Si5, Ni5, Ni6, Ni7, Ni8 and Ni8 in the γ-Ni5Si2 phase.
γ-Ni5Si2晶体相中分别以Ni1, Ni2, Si1, Ni3, Ni4, Si2, Si3, Si4, Si5, Ni5, Ni6, Ni7, Ni8为心的团簇径向原子分布
Fig. 6. Two configurations of β-Ni3Si cluster
β-Ni3Si团簇的两种构型
Fig. 7. XRD patterns of the alloys when CCu is 93.75%, 95%, 95.83%, 96.7% and 97.5%, and the Ni/Si (at.%) is (a) 2, (b) 2.5 and (c) 3 in each composition point, respectively.
Ni/Si(at.%)分别为 (a) 2, (b) 2.5和(c) 3在CCu分别为 93.75%, 95%, 95.83%, 96.7%和97.5% 每一成分点处的合金XRD谱图
Fig. 8. The microstructure of the alloys. The Ni/Si is (a) 2, (b) 2.5 and (c) 3 when CCu is 93.75% and Ni/Si is (a) 2, (b) 2.5 and (c) 3 when CCu is 96.7%, respectively.
合金的微观形貌. CCu为 93.75% 时Ni/Si 分别为(a) 2, (b) 2.5和(c) 3及CCu为96.7% 时Ni/Si 分别为(d) 2, (e) 2.5或(f) 3
Fig. 9. (a) Bright-field micrographs and (b) selected area diffraction patterns of the Cu96.7Ni2.36Si0.94 sample.
Cu96.7Ni2.36Si0.94 样品的(a)明场像和(b)选区衍射图***图(b)(123)中,2上面也有横杠***
Fig. 10. (a) Ni/Si is 2, 2.5 and 3 respectively, the variation of vickers hardness and electrical conductivity as increase CCu; the variation of (b) electrical conductivity and (c) vickers hardness as atomic percent of Cu,Ni and Si in ternary phase diagram.
(a) Ni/Si分别为2, 2.5, 3时, 维氏硬度和导电性随CCu的变化; 三元相图中 (b) 导电性和(c)维氏硬度随Cu, Ni和Si元素的原子分数的变化***图(a)和(b)中均应为%IACS***
心部原子 | 壳层原子数目 | 壳层原子种类 | 壳层原子与心部原子的距离r/nm
| 径向原子密度ρ/nm-3 | 团簇 | 团簇构型 | Ni1 | 1 | Si1 | 0.20823 | 52.909 | Ni9Si4 | 图2(a) | 2 | Si1 | 0.22614 | 82.615 | 1 | Si1 | 0.23232 | 95.245 | 2 | Ni2 | 0.25359 | 102.526 | 1 | Ni2 | 0.26231 | 105.871 | 1 | Ni2 | 0.26268 | 118.602 | 2 | Ni1 | 0.27021 | 133.174 | 2 | Ni2 | 0.27132 | 155.464 | 1 | Si1 | 0.29611 | 128.795 | Ni2 | 2 | Si1 | 0.24629 | 47.964 | Ni9Si5 | 图2(b) | 2 | Si1 | 0.24872 | 77.619 | 1 | Si1 | 0.24972 | 92.092 | 2 | Ni1 | 0.25359 | 117.172 | 2 | Ni2 | 0.25818 | 138.792 | 1 | Ni1 | 0.26231 | 145.573 | 1 | Ni1 | 0.26268 | 158.136 | 2 | Ni1 | 0.27132 | 167.423 | 1 | Si1 | 0.32162 | 107.695 | 2 | Ni2 | 0.34426 | 93.668 | Si1 | 1 | Ni1 | 0.20823 | 52.909 | SiNi9 | 图2(c) | 2 | Ni1 | 0.22614 | 82.615 | 1 | Ni1 | 0.23232 | 95.245 | 2 | Ni2 | 0.24629 | 111.915 | 2 | Ni2 | 0.24872 | 139.715 | 1 | Ni2 | 0.24972 | 153.381 | 1 | Ni1 | 0.29611 | 101.196 | 2 | Si1 | 0.31484 | 99.496 | 1 | Ni2 | 0.32162 | 100.515 | 2 | Si1 | 0.34056 | 96.754 |
|
Table 1. Radial atomic distributions around 3 different sites in the δ-Ni2Si phase.
δ-Ni2Si相中以3种占位原子为心的径向原子分布
心部原子 | 壳层原子数目 | 壳层原子种类 | 壳层原子与心部原子的距离r/nm
| 径向原子密度ρ/nm–3 | 团簇 | 团簇构型 | Ni1 | 3 | Si5 | 0.23282 | 113.557 | Ni7Si5 | 图4(a) | 6 | Ni8 | 0.25853 | 138.229 | 2 | Si1 | 0.26156 | 160.177 | 6 | Ni7 | 0.32954 | 120.138 | 6 | Ni4 | 0.39376 | 93.896 | 6 | Ni6 | 0.42716 | 91.935 | 3 | Si5 | 0.43428 | 96.236 | 6 | Ni8 | 0.45646 | 97.946 | 6 | Si2 | 0.47401 | 100.921 | 2 | Ni2 | 0.49734 | 91.258 | Ni2 | 1 | Ni2 | 0.23332 | 37.61 | Ni8Si4 | 图4(b) | 1 | Si1 | 0.23578 | 54.668 | 3 | Si4 | 0.2421 | 100.995 | 3 | Ni6 | 0.24757 | 141.671 | 3 | Ni5 | 0.25331 | 176.342 | 3 | Ni5 | 0.34555 | 86.834 | 3 | Ni7 | 0.34582 | 103.957 | 3 | Ni3 | 0.38621 | 87.072 | 3 | Si3 | 0.4174 | 78.829 | 3 | Ni6 | 0.41824 | 88.149 | 3 | Ni5 | 0.42043 | 96.421 | 3 | Ni3 | 0.43617 | 94.99 | Ni3 | 3 | Si4 | 0.24409 | 65.696 | Ni10Si4 | 图4(c) | 1 | Si2 | 0.24965 | 76.755 | 3 | Ni5 | 0.25453 | 115.879 | 3 | Ni6 | 0.26112 | 147.572 | 3 | Ni5 | 0.26706 | 175.563 | 1 | Si3 | 0.36558 | 73.329 | 3 | Ni7 | 0.37339 | 82.588 | 3 | Ni2 | 0.38621 | 87.072 | 3 | Ni6 | 0.41335 | 81.169 | 3 | Ni5 | 0.42222 | 85.68 | Ni4 | 3 | Si5 | 0.23225 | 76.265 | Ni10Si4 | 图4(d) | 1 | Si3 | 0.25456 | 72.399 | 3 | Ni8 | 0.25532 | 114.807 | 3 | Ni7 | 0.25574 | 157.083 | 3 | Ni8 | 0.27402 | 162.522 | 1 | Si2 | 0.35821 | 77.949 | 3 | Ni6 | 0.37974 | 78.514 | 3 | Ni1 | 0.39376 | 82.159 | 3 | Ni7 | 0.39797 | 90.948 | 3 | Ni8 | 0.41739 | 88.689 | Ni5 | 1 | Si4 | 0.23142 | 38.544 | Ni8Si3 | 图4(e) | 1 | Si3 | 0.23246 | 57.044 | 1 | Si4 | 0.24177 | 67.606 | 1 | Ni6 | 0.25071 | 75.786 | 1 | Ni6 | 0.25316 | 88.328 | 1 | Ni2 | 0.25331 | 102.866 | 1 | Ni5 | 0.25375 | 116.951 | 1 | Ni3 | 0.26706 | 137.942 | 1 | Ni6 | 0.28031 | 130.136 | 2 | Ni5 | 0.29349 | 132.276 | Ni6 | 1 | Si2 | 0.22997 | 39.278 | Ni9Si4 | 图4(f) | 1 | Si1 | 0.23889 | 52.56 | 1 | Si4 | 0.2445 | 65.366 | 1 | Ni2 | 0.24757 | 78.706 | 1 | Si3 | 0.24916 | 92.651 | 1 | Ni5 | 0.25071 | 103.499 | 1 | Ni5 | 0.25316 | 117.77 | 1 | Ni8 | 0.25429 | 130.733 | 1 | Ni7 | 0.25495 | 144.134 | 1 | Ni7 | 0.26059 | 148.474 | 1 | Ni3 | 0.26112 | 160.988 | 1 | Ni7 | 0.26728 | 162.621 | Ni7 | 1 | Si3 | 0.22567 | 41.566 | Ni9Si4 | 图4(g) | 1 | Si1 | 0.22958 | 59.218 | 1 | Si5 | 0.23849 | 70.434 | 1 | Si2 | 0.24038 | 85.982 | 1 | Ni8 | 0.24588 | 96.408 | 1 | Ni8 | 0.25044 | 106.443 | 1 | Ni6 | 0.25495 | 115.307 | 1 | Ni4 | 0.25574 | 128.522 | 1 | Ni5 | 0.26021 | 135.569 | 1 | Ni6 | 0.26059 | 148.474 | 1 | Ni6 | 0.26728 | 150.111 | 1 | Ni8 | 0.27224 | 153.893 | Ni8 | 1 | Si5 | 0.23059 | 38.962 | Ni9Si4 | 图4(h) | 1 | Si5 | 0.24054 | 51.486 | 1 | Ni8 | 0.2457 | 64.413 | 1 | Ni7 | 0.24588 | 80.34 | 1 | Si2 | 0.24656 | 95.613 | 1 | Ni7 | 0.25044 | 106.443 | 1 | Ni6 | 0.25429 | 116.207 | 1 | Ni4 | 0.25531 | 129.173 | 1 | Ni1 | 0.25853 | 138.229 | Ni8 | 1 | Si1 | 0.27197 | 130.605 | Ni9Si4 | 图4(h) | 1 | Ni7 | 0.27224 | 142.055 | 1 | Ni4 | 0.27402 | 150.913 | Si1 | 3 | Ni7 | 0.22958 | 78.957 | SiNi11 | 图4(i) | 1 | Ni2 | 0.23578 | 91.113 | 3 | Ni6 | 0.23889 | 140.161 | 1 | Ni1 | 0.26156 | 120.132 | 3 | Ni8 | 0.27197 | 142.479 | 3 | Ni5 | 0.34489 | 87.334 | 3 | Si5 | 0.35017 | 100.131 | 3 | Si2 | 0.38543 | 87.602 | 3 | Si3 | 0.39237 | 94.898 | 3 | Si4 | 0.41136 | 92.647 | Si2 | 3 | Ni6 | 0.22997 | 78.556 | SiNi10 | 图4(j) | 3 | Ni7 | 0.24038 | 120.375 | 3 | Ni8 | 0.24656 | 159.354 | 1 | Ni3 | 0.24965 | 168.861 | 3 | Ni5 | 0.33462 | 89.249 | 3 | Si5 | 0.35153 | 93.475 | 1 | Ni4 | 0.35821 | 93.539 | 3 | Si1 | 0.38543 | 87.602 | 3 | Si3 | 0.38982 | 96.772 | 3 | Si4 | 0.40727 | 95.466 | Si3 | 3 | Ni7 | 0.22567 | 83.132 | SiNi10 | 图4(k) | 3 | Ni5 | 0.23246 | 133.102 | 3 | Ni6 | 0.24916 | 154.418 | 1 | Ni4 | 0.25456 | 159.277 | 3 | Ni8 | 0.33473 | 89.161 | 3 | Si4 | 0.35895 | 87.797 | 1 | Ni3 | 0.36558 | 87.995 | 3 | Si2 | 0.38982 | 84.676 | 3 | Si1 | 0.39237 | 94.898 | 3 | Si5 | 0.40056 | 100.344 | Si4 | 2 | Ni5 | 0.23142 | 57.816 | SiNi10 | 图4(l) | 2 | Ni5 | 0.24177 | 84.507 | 2 | Ni2 | 0.2421 | 117.827 | 2 | Ni3 | 0.24409 | 147.817 | 2 | Ni6 | 0.2445 | 179.758 | 2 | Ni5 | 0.29512 | 120.803 | 2 | Si3 | 0.35895 | 77.468 | 2 | Si4 | 0.36743 | 81.857 | 4 | Si4 | 0.39431 | 81.816 | 2 | Si2 | 0.40727 | 81.323 | Si5 | 2 | Ni8 | 0.23059 | 58.364 | SiNi9 | 图4(m) | 2 | Ni4 | 0.23225 | 95.331 | 1 | Ni1 | 0.23282 | 113.559 | 2 | Ni7 | 0.23849 | 140.868 | 2 | Ni8 | 0.24054 | 171.621 | 2 | Ni8 | 0.28808 | 119.887 | 2 | Si1 | 0.35017 | 77.879 | 2 | Si2 | 0.35153 | 76.979 | 4 | Si5 | 0.37643 | 80.603 | 2 | Si3 | 0.40056 | 74.329 |
|
Table 2. Radial atomic distributions around 13 different sites in the γ-Ni5Si2 phase.
γ-Ni5Si2 相中以13种占位原子为心的径向原子分布
心部
原子
| 壳层
原子数
| 壳层原
子种类
| 壳层原子与心部原子的距离r/nm
| 径向原子
密度ρ/
nm−3 | 团簇 | 团簇
构型
| Ni1 | 4 | Si1 | 0.24791 | 203.795 | Ni9Si4 | 图6(a) | 8 | Ni1 | 0.24791 | 203.795 | Si1 | 12 | Ni1 | 0.24791 | 203.795 | SiNi12 | 图6(b) |
|
Table 3. Radial atomic distributions around 2 different sites in the β-Ni3Si phase.
β-Ni3Si相中以不同原子为心的径向原子分布
Ni/Si (at.%) | cluster formulas | composition wt.% /at.% | Vickers Hardness kgf·mm–2 | Electrical Conductivity /%IACS | 2 | [(Fe1/15Ni9/15Si5/15)Cu12]Cu3 | 95.18Cu3.52Ni0.93Si0.37Fe
(Cu93.75Ni3.75Si2.08Fe0.42)
| 258 | 35 | ([(Ni10/15Si5/15)Cu12]Cu3)4+([CuCu12]Cu3)
| 96.14Cu3.11Ni0.75Si
(Cu95Ni3.33Si1.67)
| 161 | 51 | ([(Ni10/15Si5/15)Cu12]Cu3)2+([CuCu12]Cu3)
| 96.79Cu2.59Ni0.62Si
(Cu95.83Ni2.78Si1.39)
| 189 | 35 | {[(Ni10/15Si5/15)1.0602Cu12]Cu3}0.996 +{[CuCu12]Cu3}
| 97.4Cu2.1Ni0.5Si
(Cu96.7Ni2.2Si1.1)
| 191 | 40 | ([(Ni10/15Si5/15)Cu12]Cu3)2+([CuCu12]Cu3)3 | 98.08Cu1.55Ni0.37Si
(Cu97.5Ni1.67Si0.83)
| 172 | 48 | 2.5 | [(Fe1/14Ni9/14Si4/14)Cu12]Cu3 | 95.04Cu3.75Ni0.8Si0.41Fe
(Cu93.75Ni4.01Si1.79Fe0.45)
| 262 | 32.5 | ([(Ni10/14Si4/14)Cu12]Cu3)4+([CuCu12]Cu3)
| 96.03Cu3.33Ni0.64Si
(Cu95Ni3.57Si1.43)
| 201 | 41 | ([(Ni10/14Si4/14)Cu12]Cu3)2+([CuCu12]Cu3)
| 96.69Cu2.78Ni0.53Si
(Cu95.83Ni2.98Si1.19)
| 201 | 38 | {([(Ni10/14Si4/14) 1.0602Cu12]Cu3)}0.996 +([CuCu12]Cu3)
| 97.39Cu2.2Ni0.41Si
(Cu96.7Ni2.36Si0.94)
| 168 | 41 | ([Ni10/14Si4/14)Cu12]Cu3)2+([CuCu12]Cu3)3 | 98.02Cu1.66Ni0.32Si
(Cu97.5Ni1.79Si0.71)
| 176 | 48 | 3 | ([(Fe1/16Ni11/16Si4/16)Cu12]Cu3)
| 94.93Cu4.02Ni0.7Si0.35Fe
(Cu93.75Ni4.3Si1.56Fe0.39)
| 241 | 30 | ([(Ni12/16Si4/16)Cu12]Cu3)4+([CuCu12]Cu3)
| 95.94Cu3.5Ni0.56Si
(Cu95Ni3.75Si1.25)
| 225 | 33 | ([(Ni12/16Si4/16)Cu12]Cu3)2+([CuCu12]Cu3)
| 96.63Cu2.91Ni0.46Si
(Cu95.83Ni3.13Si1.04)
| 191 | 36 | {([(Ni12/16Si4/16)1.0602Cu12]Cu3)}0.996+ ([CuCu12]Cu3)
| 97.33Cu2.31Ni0.36Si
(Cu96.7Ni2.47Si0.83)
| 160 | 39 | ([(Ni12/16Si4/16)Cu12]Cu3)2+([CuCu12]Cu3)3 | 97.98Cu1.74Ni0.28Si
(Cu97.5Ni1.87Si0.63)
| 171 | 47 |
|
Table 4. Ni/Si(at.%), Cluster formula, Composition(at.%), Vickers Hardness (kgf/mm2) and Electrical conductivity(%IACS) of Cu-Ni-Si-M (M = Fe or null) alloys.