| 1. |
- Belonoshko, AB, et al.
(författare)
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A new high-pressure silica phase obtained by molecular dynamics
- 1996
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Ingår i: AMERICAN MINERALOGIST. - : MINERALOGICAL SOC AMER. ; 81:5-6
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- A molecular dynamics study with analytical and ab initio interatomic potentials revealed the possibility of a new silica phase with Pnc2 structure, which is more stable than stishovite and its CaCl2-like modification at pressures above approximately 120 G
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| 2. |
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| 3. |
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| 4. |
- Belonoshko, AB, et al.
(författare)
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Equations of state of MgSiO3-perovskite and MgO (periclase) from computer simulations
- 1996
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Ingår i: PHYSICS OF THE EARTH AND PLANETARY INTERIORS. - : ELSEVIER SCIENCE BV. - 0031-9201. ; 98:1-2, s. 47-54
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Equations of state for MgSiO3-perovskite and MgO (periclase) obtained by fitting molecular dynamics simulated volumetric data with high-temperature Birch-Mumaghan form are compared with the latest experimental data, computer simulations and analytical est
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| 5. |
- Belonoshko, AB, et al.
(författare)
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Molecular and lattice dynamics study of the MgO-SiO2 system using a transferable interatomic potential
- 1996
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Ingår i: GEOCHIMICA ET COSMOCHIMICA ACTA. - : PERGAMON-ELSEVIER SCIENCE LTD. ; 60:10, s. 1645-1656
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Recension (övrigt vetenskapligt/konstnärligt)abstract
- We have developed a transferable interatomic potential to describe interatomic interaction in minerals of MgO-SiO2 composition. The potential was obtained in such a way that except for the data on thermoelastic properties of MgO (periclase) and SiO2 (alph
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| 6. |
- Belonoshko, AB, et al.
(författare)
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Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting: Two-phase simulation
- 1996
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Ingår i: AMERICAN MINERALOGIST. - : MINERALOGICAL SOC AMER. - 0003-004X. ; 81:3-4, s. 303-316
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Melting of NaCl and MgO has been simulated with a two-phase molecular dynamics method at constant pressure using newly developed interaction potentials. Equations of state for NaCl and MgO simulated by molecular dynamics are in good agreement with availab
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| 7. |
- BELONOSHKO, AB, et al.
(författare)
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MOLECULAR-DYNAMICS OF STISHOVITE MELTING
- 1995
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Ingår i: GEOCHIMICA ET COSMOCHIMICA ACTA. - : PERGAMON-ELSEVIER SCIENCE LTD. ; 59:9
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- The melting curve of stishovite is calculated using a newly developed interatomic potential and two-phase molecular dynamics simulation at constant pressure. The melting curve is consistent with experimental data at pressures up to 350 kbar. The interatom
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| 8. |
- Belonozhko, AB, et al.
(författare)
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Phase diagram and properties of silica: Lattice and molecular dynamics study
- 1996
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Ingår i: PETROLOGY. - : INTERPERIODICA. - 0869-5911. ; 4:6, s. 519-534
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Properties and a phase diagram of silica were examined in a broad pressure-temperature range using lattice and molecular dynamics methods and a previously developed interatomic potential (Belonozhko and Dubrovinsky, 1995). Good agreement was reached betwe
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| 9. |
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| 10. |
- Dubrovinskaia, NA, et al.
(författare)
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Direct transition from cristobalite to post-stishovite alpha-PbO2-like silica phase
- 2001
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Ingår i: EUROPEAN JOURNAL OF MINERALOGY. - : E SCHWEIZERBARTSCHE VERLAGS. - 0935-1221. ; 13:3, s. 479-483
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Tidskriftsartikel (refereegranskat)abstract
- In situ X-ray studies in diamond anvil cells at pressures over 80 GPa were used to determine a stable silica phase at extreme conditions. We demonstrate that so far unidentified phases obtained on compression of alpha -cristobalite and a new dense silica
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