SUPPLEMENTARY INFORMATION
Correlation between atomic structure evolution and yield behavior in a bulk
metallic glass at cryogenic temperature
J. Tan1, G. Wang1, *, Z.Y. Liu1, J. Bednarčík2, Y.L. Gao1,
Q.J. Zhai1, N. Mattern3 and J. Eckert3, 4
1
Laboratory for Microstructures, Shanghai University, 200444 Shanghai, China
2
3
HASYLAB at DESY, Notkestr. 85, D-22603 Hamburg, Germany
IFW Dresden, Institute for Complex Materials, P.O. Box 27 01 16, D-01171 Dresden,
Germany
4
TU Dresden, Institute of Materials Science, D-01062 Dresden, Germany
*
Corresponding author: Laboratory for Microstructures, Shanghai University, 200444
Shanghai, China. Tel.: +86 21 66135269.
E-mail address: g.wang@shu.edu.cn (G. Wang).
Contents
Fig. S1 (a) Structure factor, S(q), for the Zr41.25Ti13.75Ni10Cu12.5Be22.5 BMG at 288 K.
The first maximum of S(q) is used to be sine Fourier transformed, which is marked by
dash rectangle ranged from the q value of 2.35 Å-1 to 3.06 Å-1. (b) Pair correlation
function, PDF(r), of the BMG at 288 K. The dark line represents the result of the sine
Fourier transformation of the FSDP appearing in S(q) and covering a q-range of 2.35
Å-1 to 3.06 Å-1. Roman numerals denote respective coordination shells. It can be seen
that PDF(r) only calculated from the q-range of of 2.35 Å-1 to 3.06 Å-1 can well match
PDF(r) of the BMG at 288 K in the high r range values which corresponds to III, IV,
V, VI and VII shells. Thus, the first maximum in structure factor corresponds to the
medium-range order…………………………………………………………………3
Fig. S2 Cubic polynomial function fitting the first maximum of PDF(r) at 98 K
suggests that cubic polynomial function can well fit the first maximum of PDF(r)
…………………………………………………………………………………………4
1
Fig. S3 The maxima positions of PDF(r) at different temperatures. (a) Enlarged third
maximum of PDF(r). (b) The maximum position of third maximum as a function of
temperature measured from cubic polynomial function fitting curve. (c) Enlarged
fourth maximum of PDF(r). (d) The maximum position of fourth maximum as a
function of temperature measured from cubic polynomial function fitting
curve.………………………………………...………………………………………...5
2
(a) 3.5
Structure factor at 288 K
Fourier transformation zone
3.0
S( q)
2.5
2.0
1.5
1.0
0.5
0.0
2
4
6
8
(b)
PDF at 288 K
PDF cauculated from
first maximum in S( q)
2.5
2.0
PDF( r)
10 o 12 14 16 18 20
-1
q (A )
1.5
1.0
II
III
IV
V
VI VII
0.5
I
0.0
2
4
6
8
10 o 12 14 16 18 20
r (A)
Fig. S1 (a) Structure factor, S(q), for the Zr41.25Ti13.75Ni10Cu12.5Be22.5 BMG at 288 K.
The first maximum of S(q) is used to be sine Fourier transformed, which is marked by
dash rectangle ranged from the q value of 2.35 Å-1 to 3.06 Å-1. (b) Pair correlation
function, PDF(r), of the BMG at 288 K. The dark line represents the result of the sine
Fourier transformation of the FSDP appearing in S(q) and covering a q-range of 2.35
Å-1 to 3.06 Å-1. Roman numerals denote respective coordination shells. It can be seen
that PDF(r) only calculated from the q-range of of 2.35 Å-1 to 3.06 Å-1 can well match
PDF(r) of the BMG at 288 K in the high r range values which corresponds to III, IV,
V, VI and VII shells. Thus, the first maximum in structure factor corresponds to the
medium-range order.
3
2.8
2.7
PDF( r)
2.6
2.5
2.4
2.3
2.2
2.8
2.9
Experimental curve
Fitting curve
3.0 o 3.1
3.2
r (A)
3.3
Fig. S2 Cubic polynomial function fitting the first maximum of PDF(r) at 98 K
suggests that cubic polynomial function can well fit the first maximum of PDF(r).
4
(a)1.17
Third maximum
98 K
(b)
7.450
1.16
308 K
1.13
1.11
7.2
7.3
(c)
98 K
129 K
158 K
188 K
218 K
248 K
278 K
308 K
7.4 o 7.5
7.6
r ( A)
7.435
90 120 150 180 210 240 270 300
Temperature (K)
7.7
Fourth maximum
1.035
1.030
9.8
98 K
158 K
218 K
278 K
9.9 10.0
o
r ( A)
Fourth maximum position
10.035
308 K
1.040
9.7
7.440
(d)10.040
98 K
1.045
q3 (A)
o
1.14
1.12
PDF( r)
7.445
129 K
188 K
248 K
308 K
10.1 10.2
q3 (A)
PDF( r)
1.15
Third maximum position
o
10.030
10.025
10.3
10.020
90 120 150 180 210 240 270 300
Temperature (K)
Fig. S3 The maxima positions of PDF(r) at different temperatures. (a) Enlarged third
maximum of PDF(r). (b) The maximum position of third maximum as a function of
temperature measured from cubic polynomial function fitting curve. (c) Enlarged
fourth maximum of PDF(r). (d) The maximum position of fourth maximum as a
function of temperature measured from cubic polynomial function fitting curve.
5