Change search
ReferencesLink to record
Permanent link

Direct link
Sound velocity in shock compressed molybdenum obtained by ab initio molecular dynamics
Royal Institute Technology KTH, Sweden.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
Royal Institute Technology KTH, Sweden.
2015 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 92, no 6, 060101- p.Article in journal (Refereed) Published
Abstract [en]

The sound velocity of Mo along the Hugoniot adiabat is calculated from first principles using density-functional theory based molecular dynamics. These data are compared to the sound velocity as measured in recent experiments. The theoretical and experimental Hugoniot and sound velocities are in very good agreement up to pressures of 210 GPa and temperatures of 3700 K on the Hugoniot. However, above that point the experiment and theory diverge. This implies that Mo undergoes a phase transition at about the same point. Considering that the melting point of Mo is likely much higher at that pressure, the related change in the sound velocity in experiment can be ascribed to a solid-solid transition.

Place, publisher, year, edition, pages
AMER PHYSICAL SOC , 2015. Vol. 92, no 6, 060101- p.
National Category
Physical Sciences
URN: urn:nbn:se:liu:diva-122219DOI: 10.1103/PhysRevB.92.060101ISI: 000362212200001OAI: diva2:864315

Funding Agencies|Swedish Research Council (VR) [2013-5767, 2014-4750]

Available from: 2015-10-26 Created: 2015-10-23 Last updated: 2015-11-17

Open Access in DiVA

fulltext(304 kB)61 downloads
File information
File name FULLTEXT01.pdfFile size 304 kBChecksum SHA-512
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Simak, Sergey
By organisation
Theoretical PhysicsFaculty of Science & Engineering
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar
Total: 61 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 65 hits
ReferencesLink to record
Permanent link

Direct link