Constraints on the phase diagram of molybdenum from first-principles free-energy calculations

The kinetics of homogeneous melting beyond the limit of superheating

(2011) D. Alfè et al.   JOURNAL OF CHEMICAL PHYSICS

High Melting Points of Tantalum in a Laser-Heated Diamond Anvil Cell

(2010) Agnès Dewaele et al.   PHYSICAL REVIEW LETTERS

High-Pressure—High-Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy

(2010) L. Burakovsky et al.   PHYSICAL REVIEW LETTERS

PHON: A program to calculate phonons using the small displacement method

(2009) Dario Alfè   COMPUTER PHYSICS COMMUNICATIONS

X-ray diffraction measurements of Mo melting to 119 GPa and the high pressure phase diagram

(2009) D. Santamaría-Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Melting properties of a simple tight-binding model of transition metals. I. The region of half-filled d-band

(2009) C. Cazorla et al.   JOURNAL OF CHEMICAL PHYSICS

Lattice Dynamics and Thermodynamics of Molybdenum from First-Principles Calculations

(2009) Zhao-Yi Zeng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Shear-induced anisotropic plastic flow from body-centred-cubic tantalum before melting

(2009) Christine J. Wu et al.   NATURE MATERIALS

Temperature of the inner-core boundary of the Earth: Melting of iron at high pressure from first-principles coexistence simulations

(2009) Dario Alfè   PHYSICAL REVIEW B

Melting of Iron under Earth’s Core Conditions from Diffusion Monte Carlo Free Energy Calculations

(2009) Ester Sola et al.   PHYSICAL REVIEW LETTERS

First-Principles Calculations of Free Energies of Unstable Phases: The Case of fcc W

(2009) V. Ozolins   PHYSICAL REVIEW LETTERS

High-pressure melting curve of hydrogen

(2008) Sergio M. Davis et al.   JOURNAL OF CHEMICAL PHYSICS

Zero-temperature generalized phase diagram of the4dtransition metals under pressure

(2008) C. Cazorla et al.   PHYSICAL REVIEW B

Molecular dynamics simulations of the melting curve of tantalum under pressure

(2008) Zhong-Li Liu et al.   PHYSICAL REVIEW B

Ab initioequation of state for the body-centered-cubic phase of iron at high pressure and temperature

(2008) A. B. Belonoshko et al.   PHYSICAL REVIEW B

First-principles solution to the problem of Mo lattice stability

(2008) C. Asker et al.   PHYSICAL REVIEW B

Comment on “Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase”

(2008) C. Cazorla et al.   PHYSICAL REVIEW LETTERS

Mikhaylushkinet al.Reply:

(2008) A. S. Mikhaylushkin et al.   PHYSICAL REVIEW LETTERS

Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase

(2008) A. B. Belonoshko et al.   PHYSICAL REVIEW LETTERS

The stability of bcc-Fe at high pressures and temperatures with respect to tetragonal strain

(2008) Lidunka Vočadlo et al.   PHYSICS OF THE EARTH AND PLANETARY INTERIORS