4.6 Article

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

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

The kinetics of homogeneous melting beyond the limit of superheating

D. Alfe et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Lattice Dynamics and Thermodynamics of Molybdenum from First-Principles Calculations

Zhao-Yi Zeng et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Physics, Multidisciplinary

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

Agnes Dewaele et al.

PHYSICAL REVIEW LETTERS (2010)

Article Physics, Multidisciplinary

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

L. Burakovsky et al.

PHYSICAL REVIEW LETTERS (2010)

Article Computer Science, Interdisciplinary Applications

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

Dario Alfe

COMPUTER PHYSICS COMMUNICATIONS (2009)

Article Chemistry, Physical

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

D. Santamaria-Perez et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

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

Christine J. Wu et al.

NATURE MATERIALS (2009)

Article Physics, Multidisciplinary

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

Ester Sola et al.

PHYSICAL REVIEW LETTERS (2009)

Article Physics, Multidisciplinary

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

V. Ozolins

PHYSICAL REVIEW LETTERS (2009)

Article Chemistry, Physical

High-pressure melting curve of hydrogen

Sergio M. Davis et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Materials Science, Multidisciplinary

Zero-temperature generalized phase diagram of the 4d transition metals under pressure

C. Cazorla et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

Molecular dynamics simulations of the melting curve of tantalum under pressure

Zhong-Li Liu et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

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

A. B. Belonoshko et al.

PHYSICAL REVIEW B (2008)

Article Materials Science, Multidisciplinary

First-principles solution to the problem of Mo lattice stability

C. Asker et al.

PHYSICAL REVIEW B (2008)

Editorial Material Physics, Multidisciplinary

Comment on Molybdenum at high pressure and temperature:: Melting from another solid phase''

C. Cazorla et al.

PHYSICAL REVIEW LETTERS (2008)

Editorial Material Physics, Multidisciplinary

Comment on Molybdenum at high pressure and temperature: Melting from another solid phase'' - Reply

A. S. Mikhaylushkin et al.

PHYSICAL REVIEW LETTERS (2008)

Article Physics, Multidisciplinary

Molybdenum at high pressure and temperature: Melting from another solid phase

A. B. Belonoshko et al.

PHYSICAL REVIEW LETTERS (2008)

Article Geochemistry & Geophysics

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

Lidunka Vocadlo et al.

PHYSICS OF THE EARTH AND PLANETARY INTERIORS (2008)

Article Materials Science, Multidisciplinary

Melting of lead under high pressure studied using second-scale time-resolved x-ray diffraction

Agnes Dewaele et al.

PHYSICAL REVIEW B (2007)

Article Materials Science, Multidisciplinary

Melting curve of tantalum from first principles

S. Taioli et al.

PHYSICAL REVIEW B (2007)

Article Chemistry, Physical

Ab initio melting curve of molybdenum by the phase coexistence method

C. Cazorla et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Physics, Multidisciplinary

First-principles modelling of Earth and planetary materials at high pressures and temperatures

M. J. Gillan et al.

REPORTS ON PROGRESS IN PHYSICS (2006)

Article Materials Science, Multidisciplinary

Melting and critical superheating

AB Belonoshko et al.

PHYSICAL REVIEW B (2006)

Article Physics, Multidisciplinary

Dynamics of polymer chains in confined space. A computer simulation study

P Romiszowski et al.

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2005)

Article Physics, Multidisciplinary

Melting of copper and nickel at high pressure:: The role of d electrons -: art. no. 167801

S Japel et al.

PHYSICAL REVIEW LETTERS (2005)

Review Physics, Multidisciplinary

Synchrotron facilities and the study of the Earth's deep interior

TS Duffy

REPORTS ON PROGRESS IN PHYSICS (2005)

Article Physics, Condensed Matter

Melting curve of materials:: theory versus experiments

D Alfé et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2004)

Article Physics, Condensed Matter

Intrinsic anharmonicity in equations of state and thermodynamics of solids

AR Oganov et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2004)

Article Physics, Multidisciplinary

High-pressure melting of molybdenum

AB Belonoshko et al.

PHYSICAL REVIEW LETTERS (2004)

Article Materials Science, Multidisciplinary

All-electron and pseudopotential study of MgO: Equation of state, anharmonicity, and stability

AR Oganov et al.

PHYSICAL REVIEW B (2003)

Article Materials Science, Multidisciplinary

Ab initio melting curve of the fcc phase of aluminum -: art. no. 214105

L Vocadlo et al.

PHYSICAL REVIEW B (2002)

Article Chemistry, Physical

Complementary approaches to the ab initio calculation of melting properties

D Alfè et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Materials Science, Multidisciplinary

Thermodynamics of hexagonal-close-packed iron under Earth's core conditions -: art. no. 045123

D Alfè et al.

PHYSICAL REVIEW B (2001)

Article Multidisciplinary Sciences

Phonon density of states of iron up to 153 gigapascals

HK Mao et al.

SCIENCE (2001)

Article Materials Science, Multidisciplinary

Systematics of transition-metal melting

D Errandonea et al.

PHYSICAL REVIEW B (2001)

Article Geochemistry & Geophysics

Ab initio free energy calculations on the polymorphs of iron at core conditions

L Vocadlo et al.

PHYSICS OF THE EARTH AND PLANETARY INTERIORS (2000)

Article Materials Science, Multidisciplinary

Structure and dynamics of liquid iron under Earth's core conditions

D Alfe et al.

PHYSICAL REVIEW B (2000)