DOI: 10.1016/s0022-3697(98)00016-x. Molecular dynamic simulations of the α-β phase transition in silica cristobalite

Molecular dynamic simulations of the α-β phase transition in silica cristobalite

10.1016/s0022-3697(98)00016-x

Crossref journal-article

Elsevier BV

Journal of Physics and Chemistry of Solids (78)

Bibliography

DuffrÃ©ne, L., & Kieffer, J. (1998). Molecular dynamic simulations of the Î±-Î² phase transition in silica cristobalite. Journal of Physics and Chemistry of Solids, 59(6â7), 1025â1037.

Authors 2

Lucas Duffréne (first)
John Kieffer (additional)

References 46 Referenced 24

10.1524/zkri.1965.121.5.369 / Z. Kristallogr. by Dollase (1965)
10.1524/zkri.1973.138.138.274 / Z. Kristallogr. by Peacor (1973)
10.2475/ajs.s5-9.54.448 / Am. J. Sci. by Wyckoff (1925)
10.1524/zkri.1937.96.1.454 / Z. Kristallogr. by Nieuwenkamp (1937)
{'key': '10.1016/S0022-3697(98)00016-X_BIB5', 'first-page': '127', 'volume': '244', 'author': 'Leadbetter', 'year': '1973', 'journal-title': 'Nature'} / Nature by Leadbetter (1973)
10.1107/S0021889888011203 / J. Appl. Crystallogr. by Welberry (1989)
10.1080/14786437608221095 / Phil. Mag. by Leadbetter (1976)
{'key': '10.1016/S0022-3697(98)00016-X_BIB8', 'series-title': 'The Phases of Silica', 'author': 'Sosman', 'year': '1965'} / The Phases of Silica by Sosman (1965)
{'key': '10.1016/S0022-3697(98)00016-X_BIB9', 'first-page': '559', 'volume': '14', 'author': 'Phadke', 'year': '1986', 'journal-title': 'Z. Geo. Wiss'} / Z. Geo. Wiss by Phadke (1986)
10.1524/zkri.1992.201.1-2.125 / Z. Kristallogr. by Schmahl (1992)
10.1080/00318087508228690 / Phil. Mag. by Wright (1975)
10.1107/S0567740876009308 / Acta Crystallogr. by O'Keefe (1976)
{'key': '10.1016/S0022-3697(98)00016-X_BIB13', 'first-page': '526', 'volume': '30', 'author': 'Van Vlakenburg', 'year': '1945', 'journal-title': 'Am. Mineral'} / Am. Mineral by Van Vlakenburg (1945)
10.1007/BF01081299 / Tschermaks Mineral Petrogr. Mitt. by Fischer (1975)
10.1007/BF00202206 / Phys. Chem. Minerals by Withers (1989)
{'key': '10.1016/S0022-3697(98)00016-X_BIB16', 'first-page': '476', 'volume': 'Vol. 1', 'author': 'Lally', 'year': '1978'} by Lally (1978)
10.1107/S0021889888004637 / J. Appl. Crystallogr. by Hua (1988)
10.1007/BF00202234 / Phys. Chem. Minerals by Hatch (1991)
10.1007/BF00204008 / Phys. Chem. Minerals by Spearing (1992)
10.1007/BF00215105 / Phys. Chem. Minerals by Phillips (1993)
{'key': '10.1016/S0022-3697(98)00016-X_BIB21', 'first-page': '65', 'volume': '27', 'author': 'Dove', 'year': '1993', 'journal-title': 'Trans. Am. Crystallogr. Assn.'} / Trans. Am. Crystallogr. Assn. by Dove (1993)
10.1016/0022-3697(94)90180-5 / J. Phys. Chem. Solids by Finnie (1994)
{'key': '10.1016/S0022-3697(98)00016-X_BIB23', 'first-page': '1461', 'volume': '2', 'author': 'Dolino', 'year': '1992', 'journal-title': 'J. Phys. (Paris)'} / J. Phys. (Paris) by Dolino (1992)
10.1038/339209a0 / Nature by Tsuneyuki (1989)
10.1080/08927029108022431 / Molecular Simulation by Tsuneyuki (1991)
10.1016/0016-7037(94)90558-4 / Geochimica et Cosmochimica Acta by Belonoshko (1994)
10.1007/BF00200190 / Phys. Chem. Minerals by Tautz (1991)
10.1063/1.461198 / J. Chem. Phys. by Tse (1991)
10.1103/PhysRevLett.64.1955 / Phys. Rev. Lett. by van Beest (1990)
10.1088/0953-8984/7/9/005 / J. Phys. Condens. Matter by Swainson (1995)
10.1063/1.464457 / J. Chem. Phys. by Anderson (1993)
10.1063/1.1749344 / J. Chem. Phys. by Huggins (1933)
10.1002/andp.19213690304 / Ann. Phys. by Ewald (1921)
{'key': '10.1016/S0022-3697(98)00016-X_BIB34', 'series-title': 'Introduction to Solid State Physics', 'author': 'Kittel', 'year': '1996'} / Introduction to Solid State Physics by Kittel (1996)
{'key': '10.1016/S0022-3697(98)00016-X_BIB35', 'series-title': 'Crystal Structures', 'author': 'Wyckoff', 'year': '1963'} / Crystal Structures by Wyckoff (1963)
10.1063/1.334545 / J. Appl. Phys. by Pluth (1985)
{'key': '10.1016/S0022-3697(98)00016-X_BIB37', 'first-page': '1', 'volume': '79', 'author': 'Palmer', 'year': '1994', 'journal-title': 'Am. Minerals'} / Am. Minerals by Palmer (1994)
10.1007/BF00202681 / Phys. Chem. Minerals by Swainson (1995)
10.1107/S0108767393002545 / Acta Crystallogr. by Giddy (1993)
10.1103/PhysRevLett.71.193 / Phys. Rev. Lett. by Swainson (1993)
10.1063/1.1672068 / J. Chem. Phys. by Leadbetter (1969)
{'key': '10.1016/S0022-3697(98)00016-X_BIB42', 'first-page': '5356', 'volume': 'B32', 'author': 'Phillips', 'year': '1984', 'journal-title': 'Phys. Rev.'} / Phys. Rev. by Phillips (1984)
10.1103/PhysRevLett.21.1263 / Phys. Rev. Lett. by Brody (1968)
10.1088/0022-3719/5/21/017 / J. Phys. C. Solid State Phys. by Sandercock (1972)
10.1103/PhysRevLett.31.307 / Phys. Rev. Lett. by Melcher (1973)
10.1016/0038-1098(75)90145-3 / Solid State Commun. by Fritz (1975)

Dates

Type	When
Created	22 years, 3 months ago (April 23, 2003, 5:48 p.m.)
Deposited	2 years, 4 months ago (April 14, 2023, 8:21 a.m.)
Indexed	3 weeks, 1 day ago (July 30, 2025, 8:22 p.m.)
Issued	27 years, 2 months ago (June 1, 1998)
Published	27 years, 2 months ago (June 1, 1998)
Published Print	27 years, 2 months ago (June 1, 1998)

Funders 0

None

BibTeX

@article{Duffr_ne_1998, title={Molecular dynamic simulations of the α-β phase transition in silica cristobalite}, volume={59}, ISSN={0022-3697}, url={http://dx.doi.org/10.1016/s0022-3697(98)00016-x}, DOI={10.1016/s0022-3697(98)00016-x}, number={6–7}, journal={Journal of Physics and Chemistry of Solids}, publisher={Elsevier BV}, author={Duffréne, Lucas and Kieffer, John}, year={1998}, month=jun, pages={1025–1037} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        31
      ]
    ],
    "date-time": "2025-07-31T00:22:04Z",
    "timestamp": 1753921324670
  },
  "reference-count": 46,
  "publisher": "Elsevier BV",
  "issue": "6-7",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            1998,
            6,
            1
          ]
        ],
        "date-time": "1998-06-01T00:00:00Z",
        "timestamp": 896659200000
      },
      "content-version": "tdm",
      "delay-in-days": 0,
      "URL": "https://www.elsevier.com/tdm/userlicense/1.0/"
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        1998,
        6
      ]
    ]
  },
  "DOI": "10.1016/s0022-3697(98)00016-x",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        4,
        23
      ]
    ],
    "date-time": "2003-04-23T21:48:28Z",
    "timestamp": 1051134508000
  },
  "page": "1025-1037",
  "source": "Crossref",
  "is-referenced-by-count": 24,
  "title": "Molecular dynamic simulations of the \u03b1-\u03b2 phase transition in silica cristobalite",
  "prefix": "10.1016",
  "volume": "59",
  "author": [
    {
      "given": "Lucas",
      "family": "Duffr\u00e9ne",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "John",
      "family": "Kieffer",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB1",
      "doi-asserted-by": "crossref",
      "first-page": "369",
      "DOI": "10.1524/zkri.1965.121.5.369",
      "volume": "121",
      "author": "Dollase",
      "year": "1965",
      "journal-title": "Z. Kristallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB2",
      "doi-asserted-by": "crossref",
      "first-page": "274",
      "DOI": "10.1524/zkri.1973.138.138.274",
      "volume": "138",
      "author": "Peacor",
      "year": "1973",
      "journal-title": "Z. Kristallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB3",
      "doi-asserted-by": "crossref",
      "first-page": "448",
      "DOI": "10.2475/ajs.s5-9.54.448",
      "volume": "9",
      "author": "Wyckoff",
      "year": "1925",
      "journal-title": "Am. J. Sci."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB4",
      "doi-asserted-by": "crossref",
      "first-page": "454",
      "DOI": "10.1524/zkri.1937.96.1.454",
      "volume": "96",
      "author": "Nieuwenkamp",
      "year": "1937",
      "journal-title": "Z. Kristallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB5",
      "first-page": "127",
      "volume": "244",
      "author": "Leadbetter",
      "year": "1973",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB6",
      "doi-asserted-by": "crossref",
      "first-page": "87",
      "DOI": "10.1107/S0021889888011203",
      "volume": "22",
      "author": "Welberry",
      "year": "1989",
      "journal-title": "J. Appl. Crystallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB7",
      "doi-asserted-by": "crossref",
      "first-page": "105",
      "DOI": "10.1080/14786437608221095",
      "volume": "33",
      "author": "Leadbetter",
      "year": "1976",
      "journal-title": "Phil. Mag."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB8",
      "series-title": "The Phases of Silica",
      "author": "Sosman",
      "year": "1965"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB9",
      "first-page": "559",
      "volume": "14",
      "author": "Phadke",
      "year": "1986",
      "journal-title": "Z. Geo. Wiss"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB10",
      "doi-asserted-by": "crossref",
      "first-page": "125",
      "DOI": "10.1524/zkri.1992.201.1-2.125",
      "volume": "201",
      "author": "Schmahl",
      "year": "1992",
      "journal-title": "Z. Kristallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB11",
      "doi-asserted-by": "crossref",
      "first-page": "1391",
      "DOI": "10.1080/00318087508228690",
      "volume": "31",
      "author": "Wright",
      "year": "1975",
      "journal-title": "Phil. Mag."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB12",
      "doi-asserted-by": "crossref",
      "first-page": "2923",
      "DOI": "10.1107/S0567740876009308",
      "volume": "B32",
      "author": "O'Keefe",
      "year": "1976",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB13",
      "first-page": "526",
      "volume": "30",
      "author": "Van Vlakenburg",
      "year": "1945",
      "journal-title": "Am. Mineral"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB14",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1007/BF01081299",
      "volume": "22",
      "author": "Fischer",
      "year": "1975",
      "journal-title": "Tschermaks Mineral Petrogr. Mitt."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB15",
      "doi-asserted-by": "crossref",
      "first-page": "517",
      "DOI": "10.1007/BF00202206",
      "volume": "16",
      "author": "Withers",
      "year": "1989",
      "journal-title": "Phys. Chem. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB16",
      "first-page": "476",
      "volume": "Vol. 1",
      "author": "Lally",
      "year": "1978"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB17",
      "doi-asserted-by": "crossref",
      "first-page": "458",
      "DOI": "10.1107/S0021889888004637",
      "volume": "21",
      "author": "Hua",
      "year": "1988",
      "journal-title": "J. Appl. Crystallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB18",
      "doi-asserted-by": "crossref",
      "first-page": "554",
      "DOI": "10.1007/BF00202234",
      "volume": "17",
      "author": "Hatch",
      "year": "1991",
      "journal-title": "Phys. Chem. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB19",
      "doi-asserted-by": "crossref",
      "first-page": "307",
      "DOI": "10.1007/BF00204008",
      "volume": "19",
      "author": "Spearing",
      "year": "1992",
      "journal-title": "Phys. Chem. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB20",
      "doi-asserted-by": "crossref",
      "first-page": "341",
      "DOI": "10.1007/BF00215105",
      "volume": "20",
      "author": "Phillips",
      "year": "1993",
      "journal-title": "Phys. Chem. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB21",
      "first-page": "65",
      "volume": "27",
      "author": "Dove",
      "year": "1993",
      "journal-title": "Trans. Am. Crystallogr. Assn."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB22",
      "doi-asserted-by": "crossref",
      "first-page": "23",
      "DOI": "10.1016/0022-3697(94)90180-5",
      "volume": "55",
      "author": "Finnie",
      "year": "1994",
      "journal-title": "J. Phys. Chem. Solids"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB23",
      "first-page": "1461",
      "volume": "2",
      "author": "Dolino",
      "year": "1992",
      "journal-title": "J. Phys. (Paris)"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB24",
      "doi-asserted-by": "crossref",
      "first-page": "209",
      "DOI": "10.1038/339209a0",
      "volume": "399",
      "author": "Tsuneyuki",
      "year": "1989",
      "journal-title": "Nature"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB25",
      "doi-asserted-by": "crossref",
      "first-page": "227",
      "DOI": "10.1080/08927029108022431",
      "volume": "6",
      "author": "Tsuneyuki",
      "year": "1991",
      "journal-title": "Molecular Simulation"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB26",
      "doi-asserted-by": "crossref",
      "first-page": "1557",
      "DOI": "10.1016/0016-7037(94)90558-4",
      "volume": "58",
      "author": "Belonoshko",
      "year": "1994",
      "journal-title": "Geochimica et Cosmochimica Acta"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB27",
      "doi-asserted-by": "crossref",
      "first-page": "326",
      "DOI": "10.1007/BF00200190",
      "volume": "18",
      "author": "Tautz",
      "year": "1991",
      "journal-title": "Phys. Chem. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB28",
      "doi-asserted-by": "crossref",
      "first-page": "9176",
      "DOI": "10.1063/1.461198",
      "volume": "95",
      "author": "Tse",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB29",
      "doi-asserted-by": "crossref",
      "first-page": "1955",
      "DOI": "10.1103/PhysRevLett.64.1955",
      "volume": "54",
      "author": "van Beest",
      "year": "1990",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB30",
      "doi-asserted-by": "crossref",
      "first-page": "1771",
      "DOI": "10.1088/0953-8984/7/9/005",
      "volume": "7",
      "author": "Swainson",
      "year": "1995",
      "journal-title": "J. Phys. Condens. Matter"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB31",
      "doi-asserted-by": "crossref",
      "first-page": "8978",
      "DOI": "10.1063/1.464457",
      "volume": "98",
      "author": "Anderson",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB32",
      "doi-asserted-by": "crossref",
      "first-page": "643",
      "DOI": "10.1063/1.1749344",
      "volume": "1",
      "author": "Huggins",
      "year": "1933",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB33",
      "doi-asserted-by": "crossref",
      "first-page": "253",
      "DOI": "10.1002/andp.19213690304",
      "volume": "64",
      "author": "Ewald",
      "year": "1921",
      "journal-title": "Ann. Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB34",
      "series-title": "Introduction to Solid State Physics",
      "author": "Kittel",
      "year": "1996"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB35",
      "series-title": "Crystal Structures",
      "author": "Wyckoff",
      "year": "1963"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB36",
      "doi-asserted-by": "crossref",
      "first-page": "1045",
      "DOI": "10.1063/1.334545",
      "volume": "57",
      "author": "Pluth",
      "year": "1985",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB37",
      "first-page": "1",
      "volume": "79",
      "author": "Palmer",
      "year": "1994",
      "journal-title": "Am. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB38",
      "doi-asserted-by": "crossref",
      "first-page": "61",
      "DOI": "10.1007/BF00202681",
      "volume": "22",
      "author": "Swainson",
      "year": "1995",
      "journal-title": "Phys. Chem. Minerals"
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB39",
      "doi-asserted-by": "crossref",
      "first-page": "697",
      "DOI": "10.1107/S0108767393002545",
      "volume": "A49",
      "author": "Giddy",
      "year": "1993",
      "journal-title": "Acta Crystallogr."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB40",
      "doi-asserted-by": "crossref",
      "first-page": "193",
      "DOI": "10.1103/PhysRevLett.71.193",
      "volume": "71",
      "author": "Swainson",
      "year": "1993",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB41",
      "doi-asserted-by": "crossref",
      "first-page": "779",
      "DOI": "10.1063/1.1672068",
      "volume": "51",
      "author": "Leadbetter",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB42",
      "first-page": "5356",
      "volume": "B32",
      "author": "Phillips",
      "year": "1984",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB43",
      "doi-asserted-by": "crossref",
      "first-page": "1263",
      "DOI": "10.1103/PhysRevLett.21.1263",
      "volume": "21",
      "author": "Brody",
      "year": "1968",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB44",
      "doi-asserted-by": "crossref",
      "first-page": "3126",
      "DOI": "10.1088/0022-3719/5/21/017",
      "volume": "5",
      "author": "Sandercock",
      "year": "1972",
      "journal-title": "J. Phys. C. Solid State Phys."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB45",
      "doi-asserted-by": "crossref",
      "first-page": "307",
      "DOI": "10.1103/PhysRevLett.31.307",
      "volume": "31",
      "author": "Melcher",
      "year": "1973",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "10.1016/S0022-3697(98)00016-X_BIB46",
      "doi-asserted-by": "crossref",
      "first-page": "1197",
      "DOI": "10.1016/0038-1098(75)90145-3",
      "volume": "16",
      "author": "Fritz",
      "year": "1975",
      "journal-title": "Solid State Commun."
    }
  ],
  "container-title": "Journal of Physics and Chemistry of Solids",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S002236979800016X?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S002236979800016X?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        4,
        14
      ]
    ],
    "date-time": "2023-04-14T12:21:52Z",
    "timestamp": 1681474912000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S002236979800016X"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1998,
        6
      ]
    ]
  },
  "references-count": 46,
  "journal-issue": {
    "issue": "6-7",
    "published-print": {
      "date-parts": [
        [
          1998,
          6
        ]
      ]
    }
  },
  "alternative-id": [
    "S002236979800016X"
  ],
  "URL": "http://dx.doi.org/10.1016/S0022-3697(98)00016-X",
  "relation": {},
  "ISSN": [
    "0022-3697"
  ],
  "subject": [],
  "container-title-short": "Journal of Physics and Chemistry of Solids",
  "published": {
    "date-parts": [
      [
        1998,
        6
      ]
    ]
  }
}