DOI: 10.1016/j.nimb.2005.04.065. Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study

Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study

10.1016/j.nimb.2005.04.065

Crossref journal-article

Elsevier BV

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms (78)

Bibliography

Thomas, B. S., Marks, N. A., Corrales, L. R., & Devanathan, R. (2005). Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 239(3), 191â201.

Authors 4

B.S. Thomas (first)
N.A. Marks (additional)
L.R. Corrales (additional)
R. Devanathan (additional)

References 41 Referenced 55

M.W.A. Stewart, E.R. Vance, R.A. Day, WM’04 Proceedings (CD-ROM, paper ID 4362), WM Symposia, Inc., Tucson, AZ, USA, 2004.
10.1016/S0168-583X(96)01137-8 / Nucl. Instr. and Meth. B by Meyer (1997)
10.1016/S0168-583X(98)00134-7 / Nucl. Instr. and Meth. B by Hartmann (1998)
10.1016/S0168-583X(96)00521-6 / Nucl. Instr. and Meth. B by Khubeis (1996)
10.1103/PhysRevB.55.136 / Phys. Rev. B by Khubeis (1997)
10.1016/S0168-583X(99)00672-2 / Nucl. Instr. and Meth. B by Li (2000)
10.1016/0254-0584(96)80047-2 / Mater. Chem. Phys. by Fromknecht (1996)
{'key': '10.1016/j.nimb.2005.04.065_bib8', 'series-title': 'The Stopping and Range of Ions in Solids', 'author': 'Ziegler', 'year': '1985'} / The Stopping and Range of Ions in Solids by Ziegler (1985)
10.1080/00337578208222990 / Radiat. Eff. by Pells (1982)
10.1016/S0022-3115(03)00197-1 / J. Nucl. Mater. by Smith (2003)
10.1080/10420159508220015 / Radiat. Eff. Defect Solids by Buck (1995)
10.1016/S0022-3115(97)00224-9 / J. Nucl. Mater. by Zinkle (1997)
10.1016/S0168-583X(99)00694-1 / Nucl. Instr. and Meth. B by Park (2000)
10.1016/j.jnucmat.2004.04.264 / J. Nucl. Mater. by Mota (2004)
10.1016/S0022-3115(02)01134-0 / J. Nucl. Mater. by Veiller (2002)
10.1016/S0022-3115(01)00557-8 / J. Nucl. Mater. by Crocombette (2001)
10.1103/PhysRevB.64.174108 / Phys. Rev. B by Park (2001)
10.1080/00337578308207397 / Radiat. Eff. by Richardson (1983)
10.1088/0034-4885/53/11/002 / Rep. Prog. Phys. by Harding (1990)
10.1080/08927029108022432 / Mol. Sim. by Matsui (1991)
D.R. Collins, W. Smith, Council for the Central Laboratory of the Research Councils Tech. Rep. DL-TR-96-001,1996 (unpublished).
10.1103/PhysRevB.69.144122 / Phys. Rev. B by Thomas (2004)
10.1039/jm9960601385 / J. Mater. Chem. by Collins (1996)
10.1016/S0263-7855(96)00043-4 / J. Molec. Graph. by Smith (1996)
10.1557/JMR.1989.0579 / J. Mater. Res. by Diaz de la Rubia (1989)
10.1016/j.nimb.2004.10.056 / Nucl. Instr. and Meth. B by Corrales (2005)
10.1103/PhysRevB.65.045202 / Phys. Rev. B by Malerba (2002)
10.1016/j.jnucmat.2004.09.021 / J. Nucl. Mater. by Smith (2005)
10.1016/S0167-2738(02)00417-4 / Solid State Ionics by Atkinson (2002)
10.1016/0378-4363(85)90134-2 / Physica B by Catlow (1985)
10.1103/PhysRevB.47.558 / Phys. Rev. B by Kresse (1993)
10.1103/PhysRevB.49.14251 / Phys. Rev. B (1994)
10.1016/0927-0256(96)00008-0 / Comp. Mater. Sci. by Kresse (1996)
10.1103/PhysRevB.54.11169 / Phys. Rev. B (1996)
10.1103/PhysRevB.50.17953 / Phys. Rev. B by Blöchl (1994)
10.1103/PhysRevB.59.1758 / Phys. Rev. B by Kresse (1999)
10.1103/PhysRevB.46.6671 / Phys. Rev. B by Perdew (1992)
{'key': '10.1016/j.nimb.2005.04.065_bib33_2', 'first-page': '4978', 'volume': '48', 'year': '1993', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (1993)
10.1039/a606455h / J. Chem. Soc., Faraday Trans. by Gale (1997)
10.1039/tf9383400485 / Trans. Faraday Soc. by Mott (1938)
10.1111/j.1551-2916.2005.00107.x / J. Am. Ceram. Soc. by He (2005)

Dates

Type	When
Created	20 years, 3 months ago (June 1, 2005, 9:39 a.m.)
Deposited	6 years, 7 months ago (Jan. 26, 2019, midnight)
Indexed	4 weeks, 1 day ago (Aug. 6, 2025, 8:22 a.m.)
Issued	20 years ago (Sept. 1, 2005)
Published	20 years ago (Sept. 1, 2005)
Published Print	20 years ago (Sept. 1, 2005)

Funders 0

None

BibTeX

@article{Thomas_2005, title={Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study}, volume={239}, ISSN={0168-583X}, url={http://dx.doi.org/10.1016/j.nimb.2005.04.065}, DOI={10.1016/j.nimb.2005.04.065}, number={3}, journal={Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms}, publisher={Elsevier BV}, author={Thomas, B.S. and Marks, N.A. and Corrales, L.R. and Devanathan, R.}, year={2005}, month=sep, pages={191–201} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        6
      ]
    ],
    "date-time": "2025-08-06T12:22:35Z",
    "timestamp": 1754482955927
  },
  "reference-count": 41,
  "publisher": "Elsevier BV",
  "issue": "3",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2005,
            9,
            1
          ]
        ],
        "date-time": "2005-09-01T00:00:00Z",
        "timestamp": 1125532800000
      },
      "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": [
      [
        2005,
        9
      ]
    ]
  },
  "DOI": "10.1016/j.nimb.2005.04.065",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2005,
        6,
        1
      ]
    ],
    "date-time": "2005-06-01T13:39:29Z",
    "timestamp": 1117633169000
  },
  "page": "191-201",
  "source": "Crossref",
  "is-referenced-by-count": 55,
  "title": "Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study",
  "prefix": "10.1016",
  "volume": "239",
  "author": [
    {
      "given": "B.S.",
      "family": "Thomas",
      "sequence": "first",
      "affiliation": []
    },
    {
      "given": "N.A.",
      "family": "Marks",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "L.R.",
      "family": "Corrales",
      "sequence": "additional",
      "affiliation": []
    },
    {
      "given": "R.",
      "family": "Devanathan",
      "sequence": "additional",
      "affiliation": []
    }
  ],
  "member": "78",
  "reference": [
    {
      "key": "10.1016/j.nimb.2005.04.065_bib1",
      "unstructured": "M.W.A. Stewart, E.R. Vance, R.A. Day, WM\u201904 Proceedings (CD-ROM, paper ID 4362), WM Symposia, Inc., Tucson, AZ, USA, 2004."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib2",
      "doi-asserted-by": "crossref",
      "first-page": "624",
      "DOI": "10.1016/S0168-583X(96)01137-8",
      "volume": "127\u2013128",
      "author": "Meyer",
      "year": "1997",
      "journal-title": "Nucl. Instr. and Meth. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib3",
      "doi-asserted-by": "crossref",
      "first-page": "398",
      "DOI": "10.1016/S0168-583X(98)00134-7",
      "volume": "141",
      "author": "Hartmann",
      "year": "1998",
      "journal-title": "Nucl. Instr. and Meth. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib4",
      "doi-asserted-by": "crossref",
      "first-page": "257",
      "DOI": "10.1016/S0168-583X(96)00521-6",
      "volume": "120",
      "author": "Khubeis",
      "year": "1996",
      "journal-title": "Nucl. Instr. and Meth. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib5",
      "doi-asserted-by": "crossref",
      "first-page": "136",
      "DOI": "10.1103/PhysRevB.55.136",
      "volume": "55",
      "author": "Khubeis",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib6",
      "doi-asserted-by": "crossref",
      "first-page": "314",
      "DOI": "10.1016/S0168-583X(99)00672-2",
      "volume": "166\u2013167",
      "author": "Li",
      "year": "2000",
      "journal-title": "Nucl. Instr. and Meth. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib7",
      "doi-asserted-by": "crossref",
      "first-page": "50",
      "DOI": "10.1016/0254-0584(96)80047-2",
      "volume": "45",
      "author": "Fromknecht",
      "year": "1996",
      "journal-title": "Mater. Chem. Phys."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib8",
      "series-title": "The Stopping and Range of Ions in Solids",
      "author": "Ziegler",
      "year": "1985"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib9",
      "doi-asserted-by": "crossref",
      "first-page": "71",
      "DOI": "10.1080/00337578208222990",
      "volume": "64",
      "author": "Pells",
      "year": "1982",
      "journal-title": "Radiat. Eff."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib10",
      "doi-asserted-by": "crossref",
      "first-page": "19",
      "DOI": "10.1016/S0022-3115(03)00197-1",
      "volume": "321",
      "author": "Smith",
      "year": "2003",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib11",
      "doi-asserted-by": "crossref",
      "first-page": "141",
      "DOI": "10.1080/10420159508220015",
      "volume": "133",
      "author": "Buck",
      "year": "1995",
      "journal-title": "Radiat. Eff. Defect Solids"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib12",
      "doi-asserted-by": "crossref",
      "first-page": "200",
      "DOI": "10.1016/S0022-3115(97)00224-9",
      "volume": "251",
      "author": "Zinkle",
      "year": "1997",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib13",
      "doi-asserted-by": "crossref",
      "first-page": "357",
      "DOI": "10.1016/S0168-583X(99)00694-1",
      "volume": "166\u2013167",
      "author": "Park",
      "year": "2000",
      "journal-title": "Nucl. Instr. and Meth. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib14",
      "doi-asserted-by": "crossref",
      "first-page": "1190",
      "DOI": "10.1016/j.jnucmat.2004.04.264",
      "volume": "329\u2013333",
      "author": "Mota",
      "year": "2004",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib15",
      "doi-asserted-by": "crossref",
      "first-page": "61",
      "DOI": "10.1016/S0022-3115(02)01134-0",
      "volume": "306",
      "author": "Veiller",
      "year": "2002",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib16",
      "doi-asserted-by": "crossref",
      "first-page": "167",
      "DOI": "10.1016/S0022-3115(01)00557-8",
      "volume": "295",
      "author": "Crocombette",
      "year": "2001",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib17",
      "doi-asserted-by": "crossref",
      "first-page": "174108",
      "DOI": "10.1103/PhysRevB.64.174108",
      "volume": "64",
      "author": "Park",
      "year": "2001",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib18",
      "doi-asserted-by": "crossref",
      "first-page": "75",
      "DOI": "10.1080/00337578308207397",
      "volume": "79",
      "author": "Richardson",
      "year": "1983",
      "journal-title": "Radiat. Eff."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib19",
      "doi-asserted-by": "crossref",
      "first-page": "1403",
      "DOI": "10.1088/0034-4885/53/11/002",
      "volume": "53",
      "author": "Harding",
      "year": "1990",
      "journal-title": "Rep. Prog. Phys."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib20",
      "doi-asserted-by": "crossref",
      "first-page": "239",
      "DOI": "10.1080/08927029108022432",
      "volume": "6",
      "author": "Matsui",
      "year": "1991",
      "journal-title": "Mol. Sim."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib21",
      "unstructured": "D.R. Collins, W. Smith, Council for the Central Laboratory of the Research Councils Tech. Rep. DL-TR-96-001,1996 (unpublished)."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib22",
      "doi-asserted-by": "crossref",
      "first-page": "144122",
      "DOI": "10.1103/PhysRevB.69.144122",
      "volume": "69",
      "author": "Thomas",
      "year": "2004",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib23",
      "doi-asserted-by": "crossref",
      "first-page": "1385",
      "DOI": "10.1039/jm9960601385",
      "volume": "6",
      "author": "Collins",
      "year": "1996",
      "journal-title": "J. Mater. Chem."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib24",
      "doi-asserted-by": "crossref",
      "first-page": "136",
      "DOI": "10.1016/S0263-7855(96)00043-4",
      "volume": "14",
      "author": "Smith",
      "year": "1996",
      "journal-title": "J. Molec. Graph."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib25",
      "doi-asserted-by": "crossref",
      "first-page": "579",
      "DOI": "10.1557/JMR.1989.0579",
      "volume": "4",
      "author": "Diaz de la Rubia",
      "year": "1989",
      "journal-title": "J. Mater. Res."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib26",
      "doi-asserted-by": "crossref",
      "first-page": "274",
      "DOI": "10.1016/j.nimb.2004.10.056",
      "volume": "228",
      "author": "Corrales",
      "year": "2005",
      "journal-title": "Nucl. Instr. and Meth. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib27",
      "doi-asserted-by": "crossref",
      "first-page": "045202",
      "DOI": "10.1103/PhysRevB.65.045202",
      "volume": "65",
      "author": "Malerba",
      "year": "2002",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib28",
      "doi-asserted-by": "crossref",
      "first-page": "261",
      "DOI": "10.1016/j.jnucmat.2004.09.021",
      "volume": "336",
      "author": "Smith",
      "year": "2005",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib29",
      "doi-asserted-by": "crossref",
      "first-page": "443",
      "DOI": "10.1016/S0167-2738(02)00417-4",
      "volume": "150",
      "author": "Atkinson",
      "year": "2002",
      "journal-title": "Solid State Ionics"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib30",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1016/0378-4363(85)90134-2",
      "volume": "131",
      "author": "Catlow",
      "year": "1985",
      "journal-title": "Physica B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib31_1",
      "doi-asserted-by": "crossref",
      "first-page": "558",
      "DOI": "10.1103/PhysRevB.47.558",
      "volume": "47",
      "author": "Kresse",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib31_2",
      "doi-asserted-by": "crossref",
      "first-page": "14251",
      "DOI": "10.1103/PhysRevB.49.14251",
      "volume": "49",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib31_3",
      "doi-asserted-by": "crossref",
      "first-page": "15",
      "DOI": "10.1016/0927-0256(96)00008-0",
      "volume": "6",
      "author": "Kresse",
      "year": "1996",
      "journal-title": "Comp. Mater. Sci."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib31_4",
      "doi-asserted-by": "crossref",
      "first-page": "11169",
      "DOI": "10.1103/PhysRevB.54.11169",
      "volume": "54",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib32_1",
      "doi-asserted-by": "crossref",
      "first-page": "17953",
      "DOI": "10.1103/PhysRevB.50.17953",
      "volume": "50",
      "author": "Bl\u00f6chl",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib32_2",
      "doi-asserted-by": "crossref",
      "first-page": "1758",
      "DOI": "10.1103/PhysRevB.59.1758",
      "volume": "59",
      "author": "Kresse",
      "year": "1999",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib33_1",
      "doi-asserted-by": "crossref",
      "first-page": "6671",
      "DOI": "10.1103/PhysRevB.46.6671",
      "volume": "46",
      "author": "Perdew",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib33_2",
      "first-page": "4978",
      "volume": "48",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib34",
      "doi-asserted-by": "crossref",
      "first-page": "629",
      "DOI": "10.1039/a606455h",
      "volume": "93",
      "author": "Gale",
      "year": "1997",
      "journal-title": "J. Chem. Soc., Faraday Trans."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib35",
      "doi-asserted-by": "crossref",
      "first-page": "485",
      "DOI": "10.1039/tf9383400485",
      "volume": "34",
      "author": "Mott",
      "year": "1938",
      "journal-title": "Trans. Faraday Soc."
    },
    {
      "key": "10.1016/j.nimb.2005.04.065_bib36",
      "doi-asserted-by": "crossref",
      "first-page": "737",
      "DOI": "10.1111/j.1551-2916.2005.00107.x",
      "volume": "88",
      "author": "He",
      "year": "2005",
      "journal-title": "J. Am. Ceram. Soc."
    }
  ],
  "container-title": "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0168583X05005847?httpAccept=text/xml",
      "content-type": "text/xml",
      "content-version": "vor",
      "intended-application": "text-mining"
    },
    {
      "URL": "https://api.elsevier.com/content/article/PII:S0168583X05005847?httpAccept=text/plain",
      "content-type": "text/plain",
      "content-version": "vor",
      "intended-application": "text-mining"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2019,
        1,
        26
      ]
    ],
    "date-time": "2019-01-26T05:00:09Z",
    "timestamp": 1548478809000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://linkinghub.elsevier.com/retrieve/pii/S0168583X05005847"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2005,
        9
      ]
    ]
  },
  "references-count": 41,
  "journal-issue": {
    "issue": "3",
    "published-print": {
      "date-parts": [
        [
          2005,
          9
        ]
      ]
    }
  },
  "alternative-id": [
    "S0168583X05005847"
  ],
  "URL": "http://dx.doi.org/10.1016/j.nimb.2005.04.065",
  "relation": {},
  "ISSN": [
    "0168-583X"
  ],
  "subject": [],
  "container-title-short": "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
  "published": {
    "date-parts": [
      [
        2005,
        9
      ]
    ]
  }
}