Alfè D - Search Results

1

Epitaxy of nanocrystalline silicon carbide on Si(111) at room temperature.

Verucchi R, Aversa L, Nardi MV, Taioli S, a Beccara S, Alfè D, Nasi L, Rossi F, Salviati G, Iannotta S. Verucchi R, et al. Among authors: alfe d. J Am Chem Soc. 2012 Oct 24;134(42):17400-3. doi: 10.1021/ja307804v. Epub 2012 Oct 15. J Am Chem Soc. 2012. PMID: 23057581

2

Ab initio melting curve of molybdenum by the phase coexistence method.

Cazorla C, Gillan MJ, Taioli S, Alfè D. Cazorla C, et al. Among authors: alfe d. J Chem Phys. 2007 May 21;126(19):194502. doi: 10.1063/1.2735324. J Chem Phys. 2007. PMID: 17523817

3

Non-adiabatic ab initio molecular dynamics of supersonic beam epitaxy of silicon carbide at room temperature.

Taioli S, Garberoglio G, Simonucci S, a Beccara S, Aversa L, Nardi M, Verucchi R, Iannotta S, Dapor M, Alfè D. Taioli S, et al. Among authors: alfe d. J Chem Phys. 2013 Jan 28;138(4):044701. doi: 10.1063/1.4774376. J Chem Phys. 2013. PMID: 23387609 Free article.

4

Molecular Lifting, Twisting, and Curling during Metal-Assisted Polycyclic Hydrocarbon Dehydrogenation.

Curcio D, Omiciuolo L, Pozzo M, Lacovig P, Lizzit S, Jabeen N, Petaccia L, Alfè D, Baraldi A. Curcio D, et al. Among authors: alfe d. J Am Chem Soc. 2016 Mar 16;138(10):3395-402. doi: 10.1021/jacs.5b12504. Epub 2016 Feb 12. J Am Chem Soc. 2016. PMID: 26829531 Free article.

5

Constraints on the composition of the Earth's core from ab initio calculations.

Alfe D, Gillan MJ, Price GD. Alfe D, et al. Nature. 2000 May 11;405(6783):172-5. doi: 10.1038/35012056. Nature. 2000. PMID: 10821270

6

Phonon density of states of iron up to 153 gigapascals.

Mao HK, Xu J, Struzhkin VV, Shu J, Hemley RJ, Sturhahn W, Hu MY, Alp EE, Vocadlo L, Alfè D, Price GD, Gillan MJ, Schwoerer-Böhning M, Häusermann D, Eng P, Shen G, Giefers H, Lübbers R, Wortmann G. Mao HK, et al. Among authors: alfe d. Science. 2001 May 4;292(5518):914-6. doi: 10.1126/science.1057670. Science. 2001. PMID: 11340201

7

The ab initio simulation of the Earth's core.

Alfè D, Gillan MJ, Vocadlo L, Brodholt J, Price GD. Alfè D, et al. Philos Trans A Math Phys Eng Sci. 2002 Jun 15;360(1795):1227-44. doi: 10.1098/rsta.2002.0992. Philos Trans A Math Phys Eng Sci. 2002. PMID: 12804276

8

Possible thermal and chemical stabilization of body-centred-cubic iron in the Earth's core.

Vocadlo L, Alfè D, Gillan MJ, Wood IG, Brodholt JP, Price GD. Vocadlo L, et al. Among authors: alfe d. Nature. 2003 Jul 31;424(6948):536-9. doi: 10.1038/nature01829. Nature. 2003. PMID: 12891353

9

Ab initio melting curve of copper by the phase coexistence approach.

Vocadlo L, Alfè D, Price GD, Gillan MJ. Vocadlo L, et al. Among authors: alfe d. J Chem Phys. 2004 Feb 8;120(6):2872-8. doi: 10.1063/1.1640344. J Chem Phys. 2004. PMID: 15268434

10

Ab initio thermodynamics and phase diagram of solid magnesium: a comparison of the LDA and GGA.

Mehta S, Price GD, Alfè D. Mehta S, et al. Among authors: alfe d. J Chem Phys. 2006 Nov 21;125(19):194507. doi: 10.1063/1.2374892. J Chem Phys. 2006. PMID: 17129123

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