DOI: 10.1063/1.1567819. Force-based many-body interatomic potential for ZrC

Force-based many-body interatomic potential for ZrC

10.1063/1.1567819

Crossref journal-article

AIP Publishing

Journal of Applied Physics (317)

Abstract

A classical potential for ZrC is developed in the form of a modified second-moment approximation with emphasis on the strong directional dependence of the C–Zr interactions. The model has a minimal set of parameters, 4 for the pure metal and 6 for the cross interactions, which are fitted to the database of cohesive energies of B1–, B2–, and B3–ZrC, the heat of formation, and most importantly, the atomic force constants of B1–ZrC from first-principles calculations. The potential is then extensively tested against various physical properties, none of which were considered in the fitting. Finite temperature properties such as thermal expansion and melting point are in excellent agreement with experiments. We believe our model should be a good template for metallic ceramics.

Bibliography

Li, J., Liao, D., Yip, S., Najafabadi, R., & Ecker, L. (2003). Force-based many-body interatomic potential for ZrC. Journal of Applied Physics, 93(11), 9072â9085.

Authors 5

Ju Li (first)
Dongyi Liao (additional)
Sidney Yip (additional)
Reza Najafabadi (additional)
Lynne Ecker (additional)

References 71 Referenced 52

{'key': '2024020608392238700_r1'}
10.1103/PhysRevB.52.15150 / Phys. Rev. B (1995)
10.1103/PhysRevLett.75.2738 / Phys. Rev. Lett. (1995)
10.1016/S0022-3115(97)00035-4 / J. Nucl. Mater. (1997)
10.1016/S0022-3115(98)00034-8 / J. Nucl. Mater. (1998)
10.1103/PhysRevB.49.16349 / Phys. Rev. B (1994)
10.1088/0965-0393/3/5/003 / Modell. Simul. Mater. Sci. Eng. (1995)
10.1103/PhysRevB.37.6991 / Phys. Rev. B (1988)
10.1103/PhysRevLett.63.2244 / Phys. Rev. Lett. (1989)
10.1103/PhysRevB.43.11653 / Phys. Rev. B (1991)
10.1103/PhysRevLett.76.90 / Phys. Rev. Lett. (1996)
10.1088/0965-0393/5/3/001 / Modell. Simul. Mater. Sci. Eng. (1997)
10.1088/0965-0393/6/3/008 / Modell. Simul. Mater. Sci. Eng. (1998)
10.1103/PhysRevB.36.7335 / Phys. Rev. B (1987)
10.1063/1.1725697 / J. Chem. Phys. (1964)
{'key': '2024020608392238700_r14a'}
10.1103/PhysRevB.65.092106 / Phys. Rev. B (2002)
10.1007/s100510051124 / Eur. Phys. J. B (2000)
10.1103/PhysRevB.56.13826 / Phys. Rev. B (1997)
10.1103/PhysRevB.31.5262 / Phys. Rev. B (1985)
10.1103/PhysRevB.42.9458 / Phys. Rev. B (1990)
10.1103/PhysRevB.46.2727 / Phys. Rev. B (1992)
10.1088/0965-0393/2/1/011 / Modell. Simul. Mater. Sci. Eng. (1994)
{'key': '2024020608392238700_r22', 'first-page': '2825', 'volume': '14', 'year': '2002', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter (2002)
10.1103/PhysRevLett.84.4124 / Phys. Rev. Lett. (2000)
10.1103/PhysRevB.53.979 / Phys. Rev. B (1996)
10.1080/01418618408244210 / Philos. Mag. A (1984)
10.1080/01418618608242815 / Philos. Mag. A (1986)
{'key': '2024020608392238700_r26'}
{'key': '2024020608392238700_r27', 'first-page': '173', 'volume': '207', 'year': '1996', 'journal-title': 'Mater. Sci. Forum'} / Mater. Sci. Forum (1996)
{'key': '2024020608392238700_r27a'}
{'key': '2024020608392238700_r28'}
10.1016/0022-3697(68)90216-3 / J. Phys. Chem. Solids (1968)
{'key': '2024020608392238700_r30'}
10.1103/PhysRevB.41.10324 / Phys. Rev. B (1990)
10.1080/01418619708207198 / Philos. Mag. A (1997)
{'key': '2024020608392238700_r33', 'first-page': '10979', 'volume': '10', 'year': '1998', 'journal-title': 'J. Phys.: Condens. Matter'} / J. Phys.: Condens. Matter (1998)
10.1016/S0040-6090(98)01013-X / Thin Solid Films (1998)
10.1209/0295-5075/26/8/005 / Europhys. Lett. (1994)
10.1103/PhysRevB.47.558 / Phys. Rev. B (1993)
{'key': '2024020608392238700_r36a', 'first-page': '11169', 'volume': 'l54', 'year': '1996', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (1996)
10.1103/PhysRevB.46.6671 / Phys. Rev. B (1992)
10.1103/PhysRevLett.83.2592 / Phys. Rev. Lett. (1999)
{'key': '2024020608392238700_r39'}
{'key': '2024020608392238700_r40'}
10.1016/0925-8388(94)01310-E / J. Alloys Compd. (1995)
10.1016/S0925-8388(97)00297-1 / J. Alloys Compd. (1998)
{'key': '2024020608392238700_r43', 'first-page': '62', 'volume': '50', 'year': '1998', 'journal-title': 'JOM-Journal of the Minerals Metals & Materials Society'} / JOM-Journal of the Minerals Metals & Materials Society (1998)
10.1103/PhysRevB.39.4945 / Phys. Rev. B (1989)
10.1103/PhysRevB.13.5188 / Phys. Rev. B (1976)
10.1080/01418610108214331 / Philos. Mag. A (2001)
10.1080/01418619908210326 / Philos. Mag. A (1999)
10.1063/1.1709762 / J. Appl. Phys. (1967)
10.1063/1.1656774 / J. Appl. Phys. (1968)
10.1063/1.1658229 / J. Appl. Phys. (1969)
10.1016/0038-1098(81)90345-8 / Solid State Commun. (1981)
10.1103/PhysRevLett.77.3375 / Phys. Rev. Lett. (1996)
10.1103/PhysRevB.61.1748 / Phys. Rev. B (2000)
10.1143/JJAP.39.4311 / Jpn. J. Appl. Phys. (2000)
10.1016/0921-5093(95)10152-7 / Mater. Sci. Eng., A (1996)
{'key': '2024020608392238700_r56'}
10.1080/13642819908214844 / Philos. Mag. B (1999)
{'key': '2024020608392238700_r58'}
10.1103/PhysRevB.43.6573 / Phys. Rev. B (1991)
10.1016/0022-3697(64)90001-0 / J. Phys. Chem. Solids (1964)
10.1103/PhysRev.102.308 / Phys. Rev. (1956)
{'key': '2024020608392238700_r62'}
{'key': '2024020608392238700_r63'}
{'key': '2024020608392238700_r64'}
{'key': '2024020608392238700_r65'}
10.1038/35328 / Nature (London) (1998)

Dates

Type	When
Created	22 years, 3 months ago (May 22, 2003, 6:01 p.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 3:59 a.m.)
Indexed	1 month, 3 weeks ago (July 1, 2025, 6:28 p.m.)
Issued	22 years, 2 months ago (June 1, 2003)
Published	22 years, 2 months ago (June 1, 2003)
Published Print	22 years, 2 months ago (June 1, 2003)

Funders 0

None

BibTeX

@article{Li_2003, title={Force-based many-body interatomic potential for ZrC}, volume={93}, ISSN={1089-7550}, url={http://dx.doi.org/10.1063/1.1567819}, DOI={10.1063/1.1567819}, number={11}, journal={Journal of Applied Physics}, publisher={AIP Publishing}, author={Li, Ju and Liao, Dongyi and Yip, Sidney and Najafabadi, Reza and Ecker, Lynne}, year={2003}, month=jun, pages={9072–9085} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        7,
        1
      ]
    ],
    "date-time": "2025-07-01T22:28:33Z",
    "timestamp": 1751408913875
  },
  "reference-count": 71,
  "publisher": "AIP Publishing",
  "issue": "11",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2003,
        6,
        1
      ]
    ]
  },
  "abstract": "<jats:p>A classical potential for ZrC is developed in the form of a modified second-moment approximation with emphasis on the strong directional dependence of the C\u2013Zr interactions. The model has a minimal set of parameters, 4 for the pure metal and 6 for the cross interactions, which are fitted to the database of cohesive energies of B1\u2013, B2\u2013, and B3\u2013ZrC, the heat of formation, and most importantly, the atomic force constants of B1\u2013ZrC from first-principles calculations. The potential is then extensively tested against various physical properties, none of which were considered in the fitting. Finite temperature properties such as thermal expansion and melting point are in excellent agreement with experiments. We believe our model should be a good template for metallic ceramics.</jats:p>",
  "DOI": "10.1063/1.1567819",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        5,
        22
      ]
    ],
    "date-time": "2003-05-22T22:01:44Z",
    "timestamp": 1053640904000
  },
  "page": "9072-9085",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 52,
  "title": "Force-based many-body interatomic potential for ZrC",
  "prefix": "10.1063",
  "volume": "93",
  "author": [
    {
      "given": "Ju",
      "family": "Li",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Materials Science and Engineering, Ohio State University, Columbus, Ohio\u200943210"
        }
      ]
    },
    {
      "given": "Dongyi",
      "family": "Liao",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Nuclear Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts\u200902139"
        }
      ]
    },
    {
      "given": "Sidney",
      "family": "Yip",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Nuclear Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts\u200902139"
        }
      ]
    },
    {
      "given": "Reza",
      "family": "Najafabadi",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Knolls Atomic Power Laboratory, Schenectady, New York\u200912309"
        }
      ]
    },
    {
      "given": "Lynne",
      "family": "Ecker",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Knolls Atomic Power Laboratory, Schenectady, New York\u200912309"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020608392238700_r1"
    },
    {
      "key": "2024020608392238700_r2",
      "doi-asserted-by": "crossref",
      "first-page": "15150",
      "DOI": "10.1103/PhysRevB.52.15150",
      "volume": "52",
      "year": "1995",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r3",
      "doi-asserted-by": "crossref",
      "first-page": "2738",
      "DOI": "10.1103/PhysRevLett.75.2738",
      "volume": "75",
      "year": "1995",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020608392238700_r4",
      "doi-asserted-by": "crossref",
      "first-page": "53",
      "DOI": "10.1016/S0022-3115(97)00035-4",
      "volume": "246",
      "year": "1997",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "2024020608392238700_r5",
      "doi-asserted-by": "crossref",
      "first-page": "139",
      "DOI": "10.1016/S0022-3115(98)00034-8",
      "volume": "255",
      "year": "1998",
      "journal-title": "J. Nucl. Mater."
    },
    {
      "key": "2024020608392238700_r6",
      "doi-asserted-by": "crossref",
      "first-page": "16349",
      "DOI": "10.1103/PhysRevB.49.16349",
      "volume": "49",
      "year": "1994",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r7",
      "doi-asserted-by": "crossref",
      "first-page": "615",
      "DOI": "10.1088/0965-0393/3/5/003",
      "volume": "3",
      "year": "1995",
      "journal-title": "Modell. Simul. Mater. Sci. Eng."
    },
    {
      "key": "2024020608392238700_r8",
      "doi-asserted-by": "crossref",
      "first-page": "6991",
      "DOI": "10.1103/PhysRevB.37.6991",
      "volume": "37",
      "year": "1988",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r9",
      "doi-asserted-by": "crossref",
      "first-page": "2244",
      "DOI": "10.1103/PhysRevLett.63.2244",
      "volume": "63",
      "year": "1989",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020608392238700_r10",
      "doi-asserted-by": "crossref",
      "first-page": "11653",
      "DOI": "10.1103/PhysRevB.43.11653",
      "volume": "43",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r11",
      "doi-asserted-by": "crossref",
      "first-page": "90",
      "DOI": "10.1103/PhysRevLett.76.90",
      "volume": "76",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020608392238700_r12",
      "doi-asserted-by": "crossref",
      "first-page": "187",
      "DOI": "10.1088/0965-0393/5/3/001",
      "volume": "5",
      "year": "1997",
      "journal-title": "Modell. Simul. Mater. Sci. Eng."
    },
    {
      "key": "2024020608392238700_r12a",
      "doi-asserted-by": "crossref",
      "first-page": "335",
      "DOI": "10.1088/0965-0393/6/3/008",
      "volume": "6",
      "year": "1998",
      "journal-title": "Modell. Simul. Mater. Sci. Eng."
    },
    {
      "key": "2024020608392238700_r13",
      "doi-asserted-by": "crossref",
      "first-page": "7335",
      "DOI": "10.1103/PhysRevB.36.7335",
      "volume": "36",
      "year": "1987",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r14",
      "doi-asserted-by": "crossref",
      "first-page": "3199",
      "DOI": "10.1063/1.1725697",
      "volume": "41",
      "year": "1964",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020608392238700_r14a"
    },
    {
      "key": "2024020608392238700_r15",
      "doi-asserted-by": "crossref",
      "first-page": "092106",
      "DOI": "10.1103/PhysRevB.65.092106",
      "volume": "65",
      "year": "2002",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r16",
      "doi-asserted-by": "crossref",
      "first-page": "265",
      "DOI": "10.1007/s100510051124",
      "volume": "15",
      "year": "2000",
      "journal-title": "Eur. Phys. J. B"
    },
    {
      "key": "2024020608392238700_r17",
      "doi-asserted-by": "crossref",
      "first-page": "13826",
      "DOI": "10.1103/PhysRevB.56.13826",
      "volume": "56",
      "year": "1997",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r18",
      "doi-asserted-by": "crossref",
      "first-page": "5262",
      "DOI": "10.1103/PhysRevB.31.5262",
      "volume": "31",
      "year": "1985",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r19",
      "doi-asserted-by": "crossref",
      "first-page": "9458",
      "DOI": "10.1103/PhysRevB.42.9458",
      "volume": "42",
      "year": "1990",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r20",
      "doi-asserted-by": "crossref",
      "first-page": "2727",
      "DOI": "10.1103/PhysRevB.46.2727",
      "volume": "46",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r21",
      "doi-asserted-by": "crossref",
      "first-page": "147",
      "DOI": "10.1088/0965-0393/2/1/011",
      "volume": "2",
      "year": "1994",
      "journal-title": "Modell. Simul. Mater. Sci. Eng."
    },
    {
      "key": "2024020608392238700_r22",
      "first-page": "2825",
      "volume": "14",
      "year": "2002",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "2024020608392238700_r23",
      "doi-asserted-by": "crossref",
      "first-page": "4124",
      "DOI": "10.1103/PhysRevLett.84.4124",
      "volume": "84",
      "year": "2000",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020608392238700_r24",
      "doi-asserted-by": "crossref",
      "first-page": "979",
      "DOI": "10.1103/PhysRevB.53.979",
      "volume": "53",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r25",
      "doi-asserted-by": "crossref",
      "first-page": "45",
      "DOI": "10.1080/01418618408244210",
      "volume": "50",
      "year": "1984",
      "journal-title": "Philos. Mag. A"
    },
    {
      "key": "2024020608392238700_r25a",
      "doi-asserted-by": "crossref",
      "first-page": "161",
      "DOI": "10.1080/01418618608242815",
      "volume": "53",
      "year": "1986",
      "journal-title": "Philos. Mag. A"
    },
    {
      "key": "2024020608392238700_r26"
    },
    {
      "key": "2024020608392238700_r27",
      "first-page": "173",
      "volume": "207",
      "year": "1996",
      "journal-title": "Mater. Sci. Forum"
    },
    {
      "key": "2024020608392238700_r27a"
    },
    {
      "key": "2024020608392238700_r28"
    },
    {
      "key": "2024020608392238700_r29",
      "doi-asserted-by": "crossref",
      "first-page": "1235",
      "DOI": "10.1016/0022-3697(68)90216-3",
      "volume": "29",
      "year": "1968",
      "journal-title": "J. Phys. Chem. Solids"
    },
    {
      "key": "2024020608392238700_r30"
    },
    {
      "key": "2024020608392238700_r31",
      "doi-asserted-by": "crossref",
      "first-page": "10324",
      "DOI": "10.1103/PhysRevB.41.10324",
      "volume": "41",
      "year": "1990",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r32",
      "doi-asserted-by": "crossref",
      "first-page": "713",
      "DOI": "10.1080/01418619708207198",
      "volume": "75",
      "year": "1997",
      "journal-title": "Philos. Mag. A"
    },
    {
      "key": "2024020608392238700_r33",
      "first-page": "10979",
      "volume": "10",
      "year": "1998",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "2024020608392238700_r34",
      "doi-asserted-by": "crossref",
      "first-page": "109",
      "DOI": "10.1016/S0040-6090(98)01013-X",
      "volume": "332",
      "year": "1998",
      "journal-title": "Thin Solid Films"
    },
    {
      "key": "2024020608392238700_r35",
      "doi-asserted-by": "crossref",
      "first-page": "583",
      "DOI": "10.1209/0295-5075/26/8/005",
      "volume": "26",
      "year": "1994",
      "journal-title": "Europhys. Lett."
    },
    {
      "key": "2024020608392238700_r36",
      "doi-asserted-by": "crossref",
      "first-page": "558",
      "DOI": "10.1103/PhysRevB.47.558",
      "volume": "47",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r36a",
      "first-page": "11169",
      "volume": "l54",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r37",
      "doi-asserted-by": "crossref",
      "first-page": "6671",
      "DOI": "10.1103/PhysRevB.46.6671",
      "volume": "46",
      "year": "1992",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r38",
      "doi-asserted-by": "crossref",
      "first-page": "2592",
      "DOI": "10.1103/PhysRevLett.83.2592",
      "volume": "83",
      "year": "1999",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020608392238700_r39"
    },
    {
      "key": "2024020608392238700_r40"
    },
    {
      "key": "2024020608392238700_r41",
      "doi-asserted-by": "crossref",
      "first-page": "69",
      "DOI": "10.1016/0925-8388(94)01310-E",
      "volume": "217",
      "year": "1995",
      "journal-title": "J. Alloys Compd."
    },
    {
      "key": "2024020608392238700_r42",
      "doi-asserted-by": "crossref",
      "first-page": "215",
      "DOI": "10.1016/S0925-8388(97)00297-1",
      "volume": "265",
      "year": "1998",
      "journal-title": "J. Alloys Compd."
    },
    {
      "key": "2024020608392238700_r43",
      "first-page": "62",
      "volume": "50",
      "year": "1998",
      "journal-title": "JOM-Journal of the Minerals Metals & Materials Society"
    },
    {
      "key": "2024020608392238700_r44",
      "doi-asserted-by": "crossref",
      "first-page": "4945",
      "DOI": "10.1103/PhysRevB.39.4945",
      "volume": "39",
      "year": "1989",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r45",
      "doi-asserted-by": "crossref",
      "first-page": "5188",
      "DOI": "10.1103/PhysRevB.13.5188",
      "volume": "13",
      "year": "1976",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r46",
      "doi-asserted-by": "crossref",
      "first-page": "991",
      "DOI": "10.1080/01418610108214331",
      "volume": "81",
      "year": "2001",
      "journal-title": "Philos. Mag. A"
    },
    {
      "key": "2024020608392238700_r47",
      "doi-asserted-by": "crossref",
      "first-page": "705",
      "DOI": "10.1080/01418619908210326",
      "volume": "79",
      "year": "1999",
      "journal-title": "Philos. Mag. A"
    },
    {
      "key": "2024020608392238700_r48",
      "doi-asserted-by": "crossref",
      "first-page": "1794",
      "DOI": "10.1063/1.1709762",
      "volume": "38",
      "year": "1967",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "2024020608392238700_r49",
      "doi-asserted-by": "crossref",
      "first-page": "3305",
      "DOI": "10.1063/1.1656774",
      "volume": "39",
      "year": "1968",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "2024020608392238700_r50",
      "doi-asserted-by": "crossref",
      "first-page": "3515",
      "DOI": "10.1063/1.1658229",
      "volume": "40",
      "year": "1969",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "2024020608392238700_r51",
      "doi-asserted-by": "crossref",
      "first-page": "661",
      "DOI": "10.1016/0038-1098(81)90345-8",
      "volume": "39",
      "year": "1981",
      "journal-title": "Solid State Commun."
    },
    {
      "key": "2024020608392238700_r52",
      "doi-asserted-by": "crossref",
      "first-page": "3375",
      "DOI": "10.1103/PhysRevLett.77.3375",
      "volume": "77",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2024020608392238700_r53",
      "doi-asserted-by": "crossref",
      "first-page": "1748",
      "DOI": "10.1103/PhysRevB.61.1748",
      "volume": "61",
      "year": "2000",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r54",
      "doi-asserted-by": "crossref",
      "first-page": "4311",
      "DOI": "10.1143/JJAP.39.4311",
      "volume": "39",
      "year": "2000",
      "journal-title": "Jpn. J. Appl. Phys."
    },
    {
      "key": "2024020608392238700_r55",
      "doi-asserted-by": "crossref",
      "first-page": "329",
      "DOI": "10.1016/0921-5093(95)10152-7",
      "volume": "209",
      "year": "1996",
      "journal-title": "Mater. Sci. Eng., A"
    },
    {
      "key": "2024020608392238700_r56"
    },
    {
      "key": "2024020608392238700_r57",
      "doi-asserted-by": "crossref",
      "first-page": "839",
      "DOI": "10.1080/13642819908214844",
      "volume": "79",
      "year": "1999",
      "journal-title": "Philos. Mag. B"
    },
    {
      "key": "2024020608392238700_r58"
    },
    {
      "key": "2024020608392238700_r59",
      "doi-asserted-by": "crossref",
      "first-page": "6573",
      "DOI": "10.1103/PhysRevB.43.6573",
      "volume": "43",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2024020608392238700_r60",
      "doi-asserted-by": "crossref",
      "first-page": "359",
      "DOI": "10.1016/0022-3697(64)90001-0",
      "volume": "25",
      "year": "1964",
      "journal-title": "J. Phys. Chem. Solids"
    },
    {
      "key": "2024020608392238700_r61",
      "doi-asserted-by": "crossref",
      "first-page": "308",
      "DOI": "10.1103/PhysRev.102.308",
      "volume": "102",
      "year": "1956",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020608392238700_r62"
    },
    {
      "key": "2024020608392238700_r63"
    },
    {
      "key": "2024020608392238700_r64"
    },
    {
      "key": "2024020608392238700_r65"
    },
    {
      "key": "2024020608392238700_r66",
      "doi-asserted-by": "crossref",
      "first-page": "561",
      "DOI": "10.1038/35328",
      "volume": "391",
      "year": "1998",
      "journal-title": "Nature (London)"
    }
  ],
  "container-title": "Journal of Applied Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jap/article-pdf/93/11/9072/19195541/9072_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jap/article-pdf/93/11/9072/19195541/9072_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        6
      ]
    ],
    "date-time": "2024-02-06T08:59:26Z",
    "timestamp": 1707209966000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jap/article/93/11/9072/472328/Force-based-many-body-interatomic-potential-for"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2003,
        6,
        1
      ]
    ]
  },
  "references-count": 71,
  "journal-issue": {
    "issue": "11",
    "published-print": {
      "date-parts": [
        [
          2003,
          6,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1567819",
  "relation": {},
  "ISSN": [
    "0021-8979",
    "1089-7550"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2003,
        6,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2003,
        6,
        1
      ]
    ]
  }
}