DOI: 10.1007/bf00202992. The melting of MgO — computer calculations via molecular dynamics

The melting of MgO — computer calculations via molecular dynamics

10.1007/bf00202992

Crossref journal-article

Springer Science and Business Media LLC

Physics and Chemistry of Minerals (297)

Bibliography

VoÄadlo, L., & Price, G. D. (1996). The melting of MgO â computer calculations via molecular dynamics. Physics and Chemistry of Minerals, 23(1), 42â49.

Authors 2

Lindunka Vočadlo (first)
Geoffrey D. Price (additional)

References 36 Referenced 60

Allen MP, Tildesley DJ (1987) Computer Simulation of Liquids. Clarendon Press, Oxford / Computer Simulation of Liquids by MP Allen (1987)
Belonoshko AB, Dubrovinsky LS (1995) Molecular Dynamics of NaCl (B 1 and B 2) and MgO (B 1) Melting: Two-Phase Simulation. In press to Am Mineral (10.2138/am-1996-3-404)
Bollmann W (1992) Formation Volume of Schottky Defects (Vacancies) in Inorganic and Organic Compounds and the Defect Formation Mechanism of Melting. Crys Res Technol 27: 673–684 (10.1002/crat.2170270518) / Crys Res Technol by W Bollmann (1992)
Born M, Huang K (1954) Dynamical Theory of Crystal Lattices. Oxford University Press, Oxford / Dynamical Theory of Crystal Lattices by M Born (1954)
Catlow CRA, Norgett MJ (1978) United Kingdom Atomic Energy Authority (UKAEA). Report AERE M2936, UKAEA, Harwell / United Kingdom Atomic Energy Authority (UKAEA) / Report AERE M2936 by CRA Catlow (1978)
Cohen RE, Gong Z (1994) Melting and Melt Structure of MgO at High Pressures. Phys Rev B 50: 12301–12311 (10.1103/PhysRevB.50.12301) / Phys Rev B by RE Cohen (1994)
Ewald RP (1921) Die Berechnung Optischer und Elektrostatischer Gitterpotentiale. Ann Phys 64: 253–287 (10.1002/andp.19213690304) / Ann Phys by RP Ewald (1921)
Ewald RP (1937) Gottinger Nechr Math-Phys K1: 55 / Gottinger Nechr Math-Phys by RP Ewald (1937)
Ferneyhough R, Fincham D, Price GD, Gillan MJ (1994) The Melting of MgO Studied by Molecular Dynamics Simulation. Model Sim Mat Sci Eng 2: 1101–1110 (10.1088/0965-0393/2/6/002) / Model Sim Mat Sci Eng by R Ferneyhough (1994)
Fincham D, Mackrodt WC, Mitchell PJ (1994) MgO at High Temperatures and Pressures: Shell Model Lattice Dynamics and Molecular Dynamics. J Phys Cond Matt 6: 393–404 (10.1088/0953-8984/6/2/011) / J Phys Cond Matt by D Fincham (1994)
Gear CW (1966) The Numerical Integration of Ordinary Differential Equations of Various Orders. Report ANL 7126, Argonne National Laboratory (10.2172/4534813)
Hausleitner C, Hafner J (1989) A Theoretical Study of the Melting Curve of Iron to Very High Pressure. J Phys Cond Matt 1: 5243–5252 (10.1088/0953-8984/1/31/023) / J Phys Cond Matt by C Hausleitner (1989)
Isaak DJ, Cohen RE, Mehl MJ (1990) Calculated Elastic and Thermal Properties of MgO at high Pressure and Temperature. J Geophys Res 95: 7055–7067 (10.1029/JB095iB05p07055) / J Geophys Res by DJ Isaak (1990)
Jackson INS, Liebermann RC (1974) Melting and Elastic Shear Instability of Alkali Halides. J Phys Chem Solids 35: 1115–1119 (10.1016/S0022-3697(74)80129-0) / J Phys Chem Solids by INS Jackson (1974)
JANAF (1971) Thermochemical Tables 2nd Edition. NSRDS-NBS 37, Washington DC, 1141 pp
Knittle E (1995) Static Compression Measurements of Equations of State. In: Mineral Physics and Crystallography, A Handbook of Physical Constants. AGU Reference Shelf 2. Ed. T.J. Ahrens (10.1029/RF002p0098)
Kraut EA, Kennedy GC (1966) New Melting Law at High Pressures. Phys Rev Lett 16: 608–609 (10.1103/PhysRevLett.16.608) / Phys Rev Lett by EA Kraut (1966)
Lennard-Jones JE, Devonshire AF (1939) A Theory of Melting and the Structure of Liquid. Proc Roy Soc A 169: 317–318 (10.1098/rspa.1939.0002) / Proc Roy Soc A by JE Lennard-Jones (1939)
Lewis GV, Catlow CRA (1985) Potential Models for Ionic Solids. J Phys C Solid State Phys 18: 1149–1161 (10.1088/0022-3719/18/6/010) / J Phys C Solid State Phys by GV Lewis (1985)
Lindemann FA (1910) Ueber die Berechnung molekularer Eigenfrequenzen. Phys Z 11: 609–612 / Phys Z by FA Lindemann (1910)
Lynden-Bell RM, van Duijneveldt JS, Frenkel D (1993) Free Energy Chenges on Freezing and Melting Ductile Metals. Mol Phys 80: 801–814 (10.1080/00268979300102661) / Mol Phys by RM Lynden-Bell (1993)
Matsui M (1989) Molecular Dynamics Study of the Structural and Thermodynamic Properties of MgO Crystal with Quantum Correction. J Chem Phys 91: 489–494 (10.1063/1.457484) / J Chem Phys by M Matsui (1989)
Matsui M, Price GD (1991) Simulation of the Pre-melting Behaviour of MgSiO3 Perovskite at High Pressures and Temperatures. Nature 351: 735–737 (10.1038/351735a0) / Nature by M Matsui (1991)
Nose S (1984) A Molecular Dynamics Method for Simulations in the Canonical Ensemble. Mol Phys 52: 255–268 (10.1080/00268978400101201) / Mol Phys by S Nose (1984)
Ohtani E (1983) Melting Temperature Distribution and Fractionation in the Lower Mantle. Phys Earth Planet Int 33: 12–25 (10.1016/0031-9201(83)90003-1) / Phys Earth Planet Int by E Ohtani (1983)
Parker SC, Price GD (1989) Computer Modelling of Phase Transitions in Minerals. Adv Solid State Chem 1: 295–327 / Adv Solid State Chem by SC Parker (1989)
Parrinello M, Rahman A (1980) Crystal Structure and Pair Potentials: A Molecular Dynamics Study. Phys Rev Lett 45: 1196–1199 (10.1103/PhysRevLett.45.1196) / Phys Rev Lett by M Parrinello (1980)
Poirier JP (1991) Introduction to the Physics of the Earth's Interior. Cambridge University Press, Cambridge / Introduction to the Physics of the Earth's Interior by JP Poirier (1991)
Poirier JP, Price GD (1992) Dislocation Melting of Metals. Phys Earth Planet Int 69: 153–162 (10.1016/0031-9201(92)90131-E) / Phys Earth Planet Int by JP Poirier (1992)
Rivier N, Duffy DM (1982) On the Topological Entropy of Atomic Liquids and the Latent Heat of Fusion. J Phys C Solid State Phys 15: 2867–2874 (10.1088/0022-3719/15/13/015) / J Phys C Solid State Phys by N Rivier (1982)
Simon F, Glatzel G (1929) Bemerkungen zur Schmelzdruckkurve. Z Annorg Allg Chem 178: 309–316 (10.1002/zaac.19291780123) / Z Annorg Allg Chem by F Simon (1929)
Smith W (1985) MDCSPC Daresbury Laboratory CCP5 program, Daresbury
Stoneham AM, Sangster MJL (1985) The Diffusion of Ions with Multiple Valence — the Oxidation of Transition Metal Alloys. Phil Mag B 52: 717–727 (10.1080/13642818508240631) / Phil Mag B by AM Stoneham (1985)
Ubbelohde AR (1978) The Molten State of Matter. Wiley and Sons, Chichister / The Molten State of Matter by AR Ubbelohde (1978)
Winkler B, Dove MT (1992) Thermodynamic Properties of MgSiO3 Perovskite Derived from Large Scale Molecular Dynamics Simulations. Phys Chem Min 18: 407–415 (10.1007/BF00200963) / Phys Chem Min by B Winkler (1992)
Zerr A, Boehler R (1994) Constraints on the Melting Temperature of the Lower Mantle from High Pressure Experiments on MgO and Magnesiowüstite. Nature 371: 506–508 (10.1038/371506a0) / Nature by A Zerr (1994)

Dates

Type	When
Created	20 years, 11 months ago (Aug. 31, 2004, 12:36 a.m.)
Deposited	5 years, 4 months ago (April 2, 2020, 10:19 p.m.)
Indexed	4 months, 1 week ago (April 10, 2025, 1:28 p.m.)
Issued	29 years, 6 months ago (Feb. 1, 1996)
Published	29 years, 6 months ago (Feb. 1, 1996)
Published Print	29 years, 6 months ago (Feb. 1, 1996)

Funders 0

None

BibTeX

@article{Vo_adlo_1996, title={The melting of MgO — computer calculations via molecular dynamics}, volume={23}, ISSN={1432-2021}, url={http://dx.doi.org/10.1007/bf00202992}, DOI={10.1007/bf00202992}, number={1}, journal={Physics and Chemistry of Minerals}, publisher={Springer Science and Business Media LLC}, author={Vočadlo, Lindunka and Price, Geoffrey D.}, year={1996}, month=feb, pages={42–49} }

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