Negative expansions of interatomic distances in metallic melts

Proceedings of the National Academy of Sciences of the United States of America

Volumn 110, Issue 25, 2013, Pages 10068-10072

  Lou, Hongbo ^a   Wang, Xiaodong ^a   Cao, Qingping ^a   Zhang, Dongxian ^b   Zhang, Jing ^c   Hu, Tiandou ^c   Mao, Ho Kwang ^a,d,e   Jiang, Jian Zhong ^a  

^a International Center for New Structured Materials ICNSM   (China)

^b ZHEJIANG UNIVERSITY   (China)

^c INSTITUTE OF HIGH ENERGY PHYSICS   (China)

^d CENTER FOR HIGH PRESSURE SCIENCE AND TECHNOLOGY ADVANCED RESEARCH   (China)

^e GEOPHYSICAL LABORATORY   (United States)

Author keywords

Bond lengths; Contraction; Metal liquids

Indexed keywords

ALUMINUM; GOLD; METAL; METALLIC LIQUID; NICKEL; SILVER; TIN; UNCLASSIFIED DRUG; ZINC;

ARTICLE; ATOM; COVALENT BOND; CRYSTALLIZATION; HEATING; MELTING POINT; MOLECULAR DYNAMICS; PRIORITY JOURNAL; TEMPERATURE; TEMPERATURE SENSITIVITY; X RAY DIFFRACTION;

BOND LENGTHS; CONTRACTION; METAL LIQUIDS;

ALLOYS; ALUMINUM; GOLD; HOT TEMPERATURE; MATERIALS TESTING; METALS; NICKEL; SILVER; SYNCHROTRONS; TIN; X-RAY DIFFRACTION; ZINC;

EID: 84879302499     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1307967110     Document Type: Article

References (58)

1. Nelson DR (1983) Order, frustration, and defects in liquids and glasses. Phys Rev B 28(10):5515-5535.
2. Debenedetti PG, Stillinger FH (2001) Supercooled liquids and the glass transition. Nature 410(6825):259-267.
3. Reichert H, et al. (2000) Observation of five-fold local symmetry in liquid lead. Nature 408(6814):839-841.
4. Siwick BJ, Dwyer JR, Jordan RE, Miller R J D (2003) An atomic-level view of melting using femtosecond electron diffraction. Science 302(5649):1382-1385.
5. Asta M, et al. (2009) Solidification microstructures and solid-state parallels: Recent developments, future directions. Acta Mater 57(4):941-971.
6. Jin ZH, Gumbsch P, Lu K, Ma E (2001) Melting mechanisms at the limit of superheating. Phys Rev Lett 87(5):055703.
7. Schenk T, Holland-Moritz D, Simonet V, Bellissent R, Herlach DM (2002) Icosahedral short-range order in deeply undercooled metallic melts. Phys Rev Lett 89(7):075507.
8. Holland-Moritz D, et al. (2002) Short-range order in undercooled Co melts. J Non-Cryst Solids 312-314:47-51.
9. Itami T, et al. (2003) Structure of liquid Sn over a wide temperature range from neutron scattering experiments and first-principles molecular dynamics simulation: A comparison to liquid Pb. Phys Rev B 67(6):064201.
10. Kelton KF, et al. (2003) First x-ray scattering studies on electrostatically levitated metallic liquids: Demonstrated influence of local icosahedral order on the nucleation barrier. Phys Rev Lett 90(19):195504.
11. Lee GW, et al. (2004) Difference in icosahedral short-range order in early and late transition metal liquids. Phys Rev Lett 93(3):037802.
12. Kim TH, et al. (2005) In situ high-energy x-ray diffraction study of the local structure of supercooled liquid Si. Phys Rev Lett 95(8):085501.
13. Ganesh P, Widom M (2006) Signature of nearly icosahedral structures in liquid and supercooled liquid copper. Phys Rev B 74(13):134205.
14. Kim TH, Kelton KF (2007) Structural study of supercooled liquid transition metals. J Chem Phys 126(5):054513.
15. Holland-Moritz D, Heinen O, Bellissent R, Schenk T (2007) Short-range order of stable and undercooled liquid titanium. Mater Sci Eng A 449:42-45.
16. Shen YT, Kim TH, Gangopadhyay AK, Kelton KF (2009) Icosahedral order, frustration, and the glass transition: Evidence from time-dependent nucleation and supercooled liquid structure studies. Phys Rev Lett 102(5):057801.
17. Liu XJ, et al. (2010) Metallic liquids and glasses: Atomic order and global packing. Phys Rev Lett 105(15):155501.
18. Beye M, Sorgenfrei F, Schlotter WF, Wurth W, Föhlisch A (2010) The liquid-liquid phase transition in silicon revealed by snapshots of valence electrons. Proc Natl Acad Sci USA 107(39):16772-16776.
19. 80Pt20 liquids. Phys Rev B 83(18):184109.
20. Mauro NA, Bendert JC, Vogt AJ, Gewin JM, Kelton KF (2011) High energy x-ray scattering studies of the local order in liquid Al. J Chem Phys 135(4):044502.
21. Georgarakis K, et al. (2011) Variations in atomic structural features of a supercooled Pd-Ni-Cu-P glass forming liquid during in situ vitrification. Acta Mater 59(2):708-716.
22. Chirawatkul P, et al. (2011) Structure of eutectic liquids in the Au-Si, Au-Ge, and Ag-Ge binary systems by neutron diffraction. Phys Rev B 83(1):014203.
23. Kang JG, Zhu JY, Wei SH, Schwegler E, Kim YH (2012) Persistent medium-range order and anomalous liquid properties of AléCué alloys. Phys Rev Lett 108(11):115901.
24. (75.5) Pd (24.5). J Chem Phys 137(4):044501.
25. Jakse N, Pasturel A (2003) Local order of liquid and supercooled zirconium by ab initio molecular dynamics. Phys Rev Lett 91(19):195501.
26. Jakse N, Pasturel A (2004) Ab initio molecular dynamics simulations of local structure of supercooled Ni. J Chem Phys 120(13):6124-6127.
27. Ganesh P, Widom M (2008) Ab initio simulations of geometrical frustration in supercooled liquid Fe and Fe-based metallic glass. Phys Rev B 77(1):134205.
28. Becker CA, Kramer MJ (2010) Atomistic comparison of volume-dependent melt properties from four models of aluminum. Model Simul Mater Sci 18(7):074001.
29. Huang L, Wang CZ, Ho KM (2011) Structure and dynamics of liquid Ni36Zr64 by ab initio molecular dynamics. Phys Rev B 83(18):184103.
30. 20 alloy studied experimentally and by ab initio molecular dynamics simulations. Phys Rev B 84(13):134208.
31. Vasisht VV, Saw S, Sastry S (2011) Liquid-liquid critical point in supercooled silicon. Nat Phys 7(7):549-553.
32. Thakor PB, Sonvane YA, Jani AR (2011) Structural properties of some liquid transition metals. Phys Chem Liq 49(4):530-549.
33. Egami T (2007) Icosahedral order in liquids. J Non-Cryst Solids 353(32-40):3666-3670.
34. Narushima T, Hattori T, Kinoshita T, Hinzmann A, Tsuji K (2007) Pressure dependence of the structure of liquid Sn up to 19.4 GPa. Phys Rev B 76(10):104204.
35. Iwashita T, Egami T (2012) Atomic mechanism of flow in simple liquids under shear. Phys Rev Lett 108(19):196001.
36. Yang JJ, Tse JS, Iitaka T (2011) First-principles study of liquid gallium at ambient and high pressure. J Chem Phys 135(4):044507.
37. Shen GY, Prakapenka VB, Rivers ML, Sutton SR (2004) Structure of liquid iron at pressures up to 58 GPa. Phys Rev Lett 92(18):185701.
38. Foiles SM, Baskes MI, Daw MS (1986) Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Phys Rev B Condens Matter 33(12):7983-7991.
39. Zhou XW, Johnson RA, Wadley H N G (2004) Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers. Phys Rev B 69(14):144113.
40. Sheng HW, Kramer MJ, Cadien A, Fujita T, Chen MW (2011) Highly optimized embedded-atom-method potentials for fourteen fcc metals. Phys Rev B 83(13):134118.
41. Finney JL (1977) Modeling structures of amorphous metals and alloys. Nature 266(5600):309-314.
42. Wang LW, Wang Q, Xian AP, Lu KQ (2003) Precise measurement of the densities of liquid Bi, Sn, Pb and Sb. J Phys Condens Matter 15(6):777-783.
43. Wang LW, Mei QS (2006) Density measurement of liquid metals using dilatometer. J Mater Sci Technol 22(4):569-571.
44. Mattern N, et al. (2003) Structural behavior of Pd40Cu30Ni10P20 bulk metallic glass below and above the glass transition. Appl Phys Lett 82(16):2589-2591.
45. Jiang QK, Chang ZY, Wang XD, Jiang JZ (2010) Structures at glassy, supercooled liquid, and liquid states in La-based bulk metallic glasses. Metall Mater Trans, A Phys Metall Mater Sci 41A(7):1634-1639.
46. Mukherjee S, Zhou Z, Schroers J, Johnson WL, Rhim WK (2004) Overheating threshold and its effect on time-temperature-transformation diagrams of zirconium based bulk metallic glasses. Appl Phys Lett 84(24):5010-5012.
47. 22.5 metallic-glass-forming liquid. Acta Mater 55(9):2977-2983.
48. Mao J, et al. (2009) The effects of casting temperature on the glass formation of Zr-based metallic glasses. Adv Eng Mater 11(12):986-991.
49. Kumar G, Ohkubo T, Hono K (2009) Effect of melt temperature on the mechanical properties of bulk metallic glasses. J Mater Res 24(7):2353-2360.
50. 30 bulk metallic glass by remelting master alloy ingots. J Mater Res 24(12):3590-3595.
51. Schroers J (2010) Processing of bulk metallic glass. Adv Mater 22(14):1566-1597.
52. Mu JA, et al. (2010) The effect of melt treatment on glass forming ability and thermal stability of Al-based amorphous alloy. Adv Eng Mater 12(11):1127-1130.
53. Hammersley AP, Svensson SO, Hanfiand M, Fitch AN, Hausermann D (1996) Two-dimensional detector software: From real detector to idealised image or twotheta scan. High Press Res 14(4-6):235-248.
54. Qiu X, Thompson JW, Billinge S J L (2004) PDFgetX2: A GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data. JAppl Cryst 37:678.
55. Pettifer RF, Mathon O, Pascarelli S, Cooke MD, Gibbs M R J (2005) Measurement of femtometre-scale atomic displacements by X-ray absorption spectroscopy. Nature 435(7038):78-81.
56. Plimpton S (1995) Fast parallel algorithms for short-range molecular-dynamics. J Comput Phys 117(1):1-19.
57. Nose S (1984) A unified formulation of the constant temperature molecular-dynamics methods. J Chem Phys 81(1):511-519.
58. Kresse G, Furthmuller J (1996) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci 6(1):15-50.