Melting of bcc Transition Metals and Icosahedral Clustering

Ross, M; Boehler, R; Japel, S

doi:10.1016/j.jpcs.2006.05.009

Melting of bcc Transition Metals and Icosahedral Clustering

Journal Article · Fri May 26 04:00:00 EDT 2006 · Journal of Physics and Chemistry of Solids

DOI:https://doi.org/10.1016/j.jpcs.2006.05.009· OSTI ID:936692

Ross, M; Boehler, R; Japel, S

In contrast to polyvalent metals, transition metals have low melting slopes(dT/dP) that are due to partially filled d-bands that allow for a lowering of liquid phase energy through s-d electron transfer and the formation of local structures. In the case of bcc transition metals we show the apparent discrepancy of DAC melting measurements with shock melting of Mo can be understood by reexamining the shock data for V and Ta and introducing the presence of an icosahedral short range order (ISRO) melt phase.

View Journal Article

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 936692

Report Number(s):: UCRL-JRNL-222109

Journal Information:: Journal of Physics and Chemistry of Solids, Journal Name: Journal of Physics and Chemistry of Solids Vol. 67; ISSN 0022-3697; ISSN JPCSAW

Country of Publication:: United States

Language:: English

References (24)

Melting of Dense Sodium Gregoryanz, Eugene; Degtyareva, Olga; Somayazulu, Maddury Physical Review Letters, Vol. 94, Issue 18 https://doi.org/10.1103/PhysRevLett.94.185502	journal	May 2005
Shock compression of tungsten and molybdenum Hixson, R. S.; Fritz, J. N. Journal of Applied Physics, Vol. 71, Issue 4 https://doi.org/10.1063/1.351203	journal	February 1992
Prediction of the local structure of liquid and supercooled tantalum Jakse, N.; Le Bacq, O.; Pasturel, A. Physical Review B, Vol. 70, Issue 17 https://doi.org/10.1103/PhysRevB.70.174203	journal	November 2004
Ultrahigh-pressure structural phase transitions in Cr, Mo, and W Moriarty, John A. Physical Review B, Vol. 45, Issue 5 https://doi.org/10.1103/PhysRevB.45.2004	journal	February 1992
Modules élastiques des métaux de transition Ducastelle, F. Journal de Physique, Vol. 31, Issue 11-12 https://doi.org/10.1051/jphys:019700031011-120105500	journal	January 1970
Icosahedral Short-Range Order in Deeply Undercooled Metallic Melts Schenk, T.; Holland-Moritz, D.; Simonet, V. Physical Review Letters, Vol. 89, Issue 7 https://doi.org/10.1103/PhysRevLett.89.075507	journal	July 2002
Melting of tantalum at high pressure determined by angle dispersive x-ray diffraction in a double-sided laser-heated diamond-anvil cell Errandonea, D.; Somayazulu, M.; Häusermann, D. Journal of Physics: Condensed Matter, Vol. 15, Issue 45 https://doi.org/10.1088/0953-8984/15/45/003	journal	October 2003
Stability of polyatomic molecules in degenerate electronic states - I—Orbital degeneracy Jahn, H. A.; Teller, E. Proceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, Vol. 161, Issue 905, p. 220-235 https://doi.org/10.1098/rspa.1937.0142	journal	July 1937
Dynamics of polymer chains in confined space. A computer simulation study Romiszowski, Piotr; Sikorski, Andrzej Physica A: Statistical Mechanics and its Applications, Vol. 357, Issue 2 https://doi.org/10.1016/j.physa.2005.06.036	journal	November 2005
Local Order of Liquid and Supercooled Zirconium by Ab Initio Molecular Dynamics Jakse, Noël; Pasturel, Alain Physical Review Letters, Vol. 91, Issue 19 https://doi.org/10.1103/PhysRevLett.91.195501	journal	November 2003
X-ray Diffraction Study of Liquid Cs up to 9.8 GPa Falconi, S.; Lundegaard, L. F.; Hejny, C. Physical Review Letters, Vol. 94, Issue 12 https://doi.org/10.1103/PhysRevLett.94.125507	journal	April 2005
Melting of aluminum, molybdenum, and the light actinides Ross, Marvin; Yang, Lin H.; Boehler, Reinhard Physical Review B, Vol. 70, Issue 18 https://doi.org/10.1103/PhysRevB.70.184112	journal	November 2004
Melting of Copper and Nickel at High Pressure: The Role of d Electrons Japel, Stefanie; Schwager, Beate; Boehler, Reinhard Physical Review Letters, Vol. 95, Issue 16 https://doi.org/10.1103/PhysRevLett.95.167801	journal	October 2005
Icosahedral Ordering in the Lennard-Jones Liquid and Glass Jónsson, Hannes; Andersen, Hans C. Physical Review Letters, Vol. 60, Issue 22 https://doi.org/10.1103/PhysRevLett.60.2295	journal	May 1988
Ab initio molecular dynamics simulations of local structure of supercooled Ni Jakse, Noël; Pasturel, Alain The Journal of Chemical Physics, Vol. 120, Issue 13 https://doi.org/10.1063/1.1651054	journal	April 2004
Acoustic Velocities and Phase Transitions in Molybdenum under Strong Shock Compression Hixson, R. S.; Boness, D. A.; Shaner, J. W. Physical Review Letters, Vol. 62, Issue 6 https://doi.org/10.1103/PhysRevLett.62.637	journal	February 1989
Polymorphic phase transition for inverse-power-potential crystals keeping the first-order anharmonic correction to the free energy Dubin, Daniel H. E.; Dewitt, Hugh Physical Review B, Vol. 49, Issue 5 https://doi.org/10.1103/PhysRevB.49.3043	journal	February 1994
Sound velocity variations and melting of vanadium under shock compression Dai, Chengda; Jin, Xiaogang; Zhou, Xianming Journal of Physics D: Applied Physics, Vol. 34, Issue 20 https://doi.org/10.1088/0022-3727/34/20/310	journal	October 2001
Temperatures in the Earth's core from melting-point measurements of iron at high static pressures Boehler, R. Nature, Vol. 363, Issue 6429 https://doi.org/10.1038/363534a0	journal	June 1993
Electronic and Atomic Structure, and Magnetism of Transition-Metal Clusters Alonso, J. A. Chemical Reviews, Vol. 100, Issue 2 https://doi.org/10.1021/cr980391o	journal	February 2000
Systematics of transition-metal melting Errandonea, Daniel; Schwager, Beate; Ditz, Reiner Physical Review B, Vol. 63, Issue 13 https://doi.org/10.1103/PhysRevB.63.132104	journal	March 2001
Xenon Melting Curve to 80 GPa and 5 p − d Hybridization Ross, Marvin; Boehler, Reinhard; Söderlind, Per Physical Review Letters, Vol. 95, Issue 25 https://doi.org/10.1103/PhysRevLett.95.257801	journal	December 2005
Angular forces and melting in bcc transition metals: A case study of molybdenum Moriarty, John A. Physical Review B, Vol. 49, Issue 18 https://doi.org/10.1103/PhysRevB.49.12431	journal	May 1994
Melting curve of aluminum in a diamond cell to 0.8 Mbar: implications for iron Boehler, Reinhard; Ross, Marvin Earth and Planetary Science Letters, Vol. 153, Issue 3-4 https://doi.org/10.1016/S0012-821X(97)00188-X	journal	December 1997

Similar Records

Melting of Transition Metals

Journal Article · Mon Apr 11 00:00:00 EDT 2005 · Journal of Physics and Chemistry of Solids · OSTI ID:936459

Melting of Xenon to 80 GPa, p-d hybridization, and an ISRO liquid

Journal Article · Tue Jul 26 00:00:00 EDT 2005 · Physical Review Letters · OSTI ID:936446

Melting of aluminum, molybdenum and the light actinides

Journal Article · Fri Jun 25 00:00:00 EDT 2004 · Physical Review, B: Condensed Matter · OSTI ID:15014414

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ELECTRON TRANSFER
MELTING
TRANSITION ELEMENTS

Melting of bcc Transition Metals and Icosahedral Clustering

Citation Formats

References (24)

Similar Records

Related Subjects