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0781

铜虫 (小有名气)

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[交流] 【求助】帮忙看个XRD

本人用的材料为NiCr20左右合金，其XRD数据如下。用jade5.0做出来的相是Ni3Al，郁闷。麻烦帮忙看下，是我用的这个软件有问题？谢谢哈。

还有一个NiCrAl样品，麻烦看看有哪些相。

其中h.txt是镍铬， Z-c.txt是镍铬铝。急等

http://d.namipan.com/d/704010d9a ... 71c3c52f6f1955a0000

http://d.namipan.com/d/dc92241cf ... ef2c9695cb22cad0000

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1楼 2010-11-09 11:19:39

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

sourbing

木虫 (正式写手)

★ ★ ★ ★ ★
caocao4735(金币+5):感谢专家 2010-11-09 21:28:37
0781(金币+10):我觉得Z-c里头应该有Ni,NiAl等主要相。感谢你的分析。 2010-11-10 10:21:25

我用jade5.0看了一下，抛砖引玉

z-c的

PDF#65-5865: QM=Calculated; d=Calculated; I=Calculated
Aluminum Chromium Nickel
Al4 Cr Ni15
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=6.78
Ref= Calculated from NIST using POWD-12++

Cubic - (Unknown),  Pm-3m (221) Z=0.2 mp=
Cell=3.56 Pearson=cP4 (Au Cu3)
Density(c)=7.658 Density(m)=7.68A Mwt=1040.42 Vol=45.12 F(17)=999.9(.0001,17)
Ref= Ul-Haq, I., Booth, J. G.
J. Magn. Magn. Mater., 62 256 (1986)
Strong Line: 2.06/X 1.78/4 1.26/2 1.07/2 3.56/1 0.82/1 2.52/1 1.03/1 0.89/1 1.59/1
NOTE:  L 2237  14304    03 TF was not given, B set to 1.000 for calc.
The elements were melted in an argon arc furnace.After cooling, the sample was both inverted and re-melted twice.Then the powder was sealed, annealed and then quenched in cold water.
Johnson Matthey and Co.
25 MAGNETIC AND STRUCTURAL PROPERTIES OF Ni3Al BASED ALLOYS
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
3.5600 6.2 3.6 1 0 0 1 24.992 12.496 0.1404 1.7649
2.5173 4.3 3.5 1 1 0 2 35.636 17.818 0.1986 2.4960
2.0554 100.0 100.0 1 1 1 3 44.020 22.010 0.2433 3.0570
1.7800 41.8 48.3 2 0 0 4 51.283 25.642 0.2809 3.5299
1.5921 1.3 1.7 2 1 0 5 57.870 28.935 0.3141 3.9465
1.4534 0.8 1.1 2 1 1 6 64.011 32.005 0.3440 4.3232
1.2586 16.8 27.4 2 2 0 8 75.467 37.733 0.3973 4.9920
1.1867 0.3 0.5 3 0 0 9 80.949 40.475 0.4213 5.2948
1.1258 0.2 0.4 3 1 0 10 86.349 43.175 0.4441 5.5812
1.0734 15.1 28.9 3 1 1 11 91.717 45.858 0.4658 5.8536
1.0277 4.1 8.2 2 2 2 12 97.100 48.550 0.4865 6.1140
0.9874 0.1 0.2 3 2 0 13 102.546 51.273 0.5064 6.3636
0.9514 0.1 0.2 3 2 1 14 108.111 54.055 0.5255 6.6038
0.8900 1.8 4.2 4 0 0 16 119.876 59.938 0.5618 7.0598
0.8634 0.1 0.2 4 1 0 17 126.282 63.141 0.5791 7.2770
0.8391 0.1 0.2 4 1 1 18 133.266 66.633 0.5959 7.4880
0.8167 5.6 14.1 3 3 1 19 141.171 70.585 0.6122 7.6932
我觉得更有可能是
PDF#65-5559: QM=Calculated; d=Calculated; I=Calculated
Chromium Nickel
Cr1.12 Ni2.88
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=7.47
Ref= Calculated from NIST using POWD-12++

Cubic - (Unknown),  Fm-3m (225) Z=1 mp=
Cell=3.54 Pearson=cF4 (Cu)
Density(c)=8.507 Density(m)=9.18A Mwt=227.29 Vol=44.36 F(7)=999.9(.0000,7)
Ref= Roberts, B. W., Swalin, R. A.
Trans. Am. Inst. Min. Metall. Pet. Eng., 209 845 (1957)
Strong Line: 2.04/X 1.77/4 1.25/2 1.07/1 0.81/1 1.02/1 0.89/1 0.00/1 0.00/1 0.00/1
NOTE:  L 22154  41311    0 TF was not given, B set to 1.000 for calc.
prepared by melting the raw materials carbonyl nickel and electrolytic chromium and casting in a graphite mold, then homogenized at 1523K for 7 days.
sample composition is Cr1.12Ni2.88;  no evidence for superstructure reflections of AuCu3 type ordering is observed; structure refined at 4.2 K.
-269 Concerning an Order-Disorder Transition in the Ni-Cr System
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
2.0438 100.0 100.0 1 1 1 3 44.281 22.141 0.2446 3.0742
1.7700 41.8 48.3 2 0 0 4 51.594 25.797 0.2825 3.5498
1.2516 16.4 26.8 2 2 0 8 75.969 37.984 0.3995 5.0202
1.0674 14.9 28.5 3 1 1 11 92.386 46.193 0.4684 5.8867
1.0219 4.1 8.2 2 2 2 12 97.835 48.918 0.4893 6.1485
0.8850 1.8 4.2 4 0 0 16 121.004 60.502 0.5650 7.0996
0.8121 5.8 14.6 3 3 1 19 143.052 71.526 0.6157 7.7367

h的

PDF#65-5559: QM=Calculated; d=Calculated; I=Calculated
Chromium Nickel
Cr1.12 Ni2.88
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=7.47
Ref= Calculated from NIST using POWD-12++

Cubic - (Unknown),  Fm-3m (225) Z=1 mp=
Cell=3.54 Pearson=cF4 (Cu)
Density(c)=8.507 Density(m)=9.18A Mwt=227.29 Vol=44.36 F(7)=999.9(.0000,7)
Ref= Roberts, B. W., Swalin, R. A.
Trans. Am. Inst. Min. Metall. Pet. Eng., 209 845 (1957)
Strong Line: 2.04/X 1.77/4 1.25/2 1.07/1 0.81/1 1.02/1 0.89/1 0.00/1 0.00/1 0.00/1
NOTE:  L 22154  41311    0 TF was not given, B set to 1.000 for calc.
prepared by melting the raw materials carbonyl nickel and electrolytic chromium and casting in a graphite mold, then homogenized at 1523K for 7 days.
sample composition is Cr1.12Ni2.88;  no evidence for superstructure reflections of AuCu3 type ordering is observed; structure refined at 4.2 K.
-269 Concerning an Order-Disorder Transition in the Ni-Cr System
d(A)    I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
2.0438 100.0 100.0 1 1 1 3 44.281 22.141 0.2446 3.0742
1.7700 41.8 48.3 2 0 0 4 51.594 25.797 0.2825 3.5498
1.2516 16.4 26.8 2 2 0 8 75.969 37.984 0.3995 5.0202
1.0674 14.9 28.5 3 1 1 11 92.386 46.193 0.4684 5.8867
1.0219 4.1 8.2 2 2 2 12 97.835 48.918 0.4893 6.1485
0.8850 1.8 4.2 4 0 0 16 121.004 60.502 0.5650 7.0996
0.8121 5.8 14.6 3 3 1 19 143.052 71.526 0.6157 7.7367

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