Abstract
The short-range order (SRO) and medium-range order of electrostatically levitated Zr80Pt20 and Zr77Rh23 liquids are presented based on a combination of high-energy x-ray diffraction and time-of-flight neutron diffraction studies. The atomic structures of the Zr80Pt20 liquids were determined as a function of temperature from constrained reverse Monte Carlo simulations using x-ray and elastic neutron scattering measurements and two partial pair-distribution functions obtained from molecular dynamics (MD) simulations. Analysis of both the Faber-Ziman and Bhatia-Thornton partial structure factors shows that the Zr80Pt20 and Zr77Rh23 liquids have similar topological SRO. Interestingly, the chemical SRO appears to be much more strongly tied to the topological order in the Zr77Rh23 liquid than in the Zr80Pt20. These results demonstrate that the combination of experimental scattering measurements with MD results provides a powerful approach for obtaining details of chemical and topological ordering in metallic glasses and liquids.
| Original language | English |
|---|---|
| Article number | 054203 |
| Journal | Physical Review B |
| Volume | 93 |
| Issue number | 5 |
| DOIs | |
| State | Published - Feb 3 2016 |
Funding
The authors thank Doug Robinson for his assistance with the high-energy x-ray diffraction studies at the APS, Kevin Derendorf for his contributions to the design and construction of the NESL, Ken Herwig for logistics and travel support, Vy Tran and Ryan Soklaski for the use of their Voronoi code and useful discussions, and Zackary Markow for useful discussions. The work at Washington University in Saint Louis was partially supported by the National Science Foundation under Grant No. DMR-12-06707 and the National Aeronautics and Space Administration (NASA) under Grant No. NNX10AU19G. The work at Iowa State University was supported by the National Science Foundation under Grant No. DMR-1308099. T. Egami acknowledges the support from the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. The synchrotron measurements were made on the Sector 6 beamline at the APS. Use of the APS is supported by the US Department of Energy, Basic Energy Science, Office of Science, under Contract No. DE-AC02-06CH11357. This research at the SNS was sponsored by the U.S. Department of Energy, Office of Basic Energy Sciences, Scientific User Facilities Division. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation or of NASA.