DOI: 10.1063/1.1337040. Instantaneous normal modes analysis of amorphous and supercooled silica

Instantaneous normal modes analysis of amorphous and supercooled silica

10.1063/1.1337040

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The dynamics of a model for amorphous and supercooled silica (SiO2), a strong glass former, is studied using instantaneous normal mode (INM) analysis. The INM spectra at a variety of temperatures are calculated via molecular dynamics simulation. At temperatures below the glass transition temperature, the dominant contribution to the soft highly anharmonic modes comprising the imaginary frequency region of the INM spectrum are found to correspond to coupled rotations of SiO4 tetrahedral units, consistent with interpretations of neutron scattering experiments [B. B. Buchenau, H. M. Zhou, and N. Nucker, Phys. Rev. Lett. 60, 1318 (1988)] and with previous normal mode analysis of simulation results at T=0 K [S. N. Taraskin and S. R. Elliot, Phys. Rev. B 56, 8623 (1997)].

Bibliography

Bembenek, S. D., & Laird, B. B. (2001). Instantaneous normal modes analysis of amorphous and supercooled silica. The Journal of Chemical Physics, 114(5), 2340â2344.

Authors 2

Scott D. Bembenek (first)
Brian B. Laird (additional)

References 34 Referenced 26

10.1080/14786437208229210 / Philos. Mag. (1972)
10.1007/BF00660072 / J. Low Temp. Phys. (1972)
10.1016/0022-3093(85)90057-2 / J. Non-Cryst. Solids (1985)
10.1103/PhysRevB.34.5665 / Phys. Rev. B (1986)
10.1209/0295-5075/6/8/005 / Europhys. Lett. (1988)
10.1103/PhysRevLett.77.659 / Phys. Rev. Lett. (1996)
10.1103/PhysRevLett.66.636 / Phys. Rev. Lett. (1991)
{'key': '2023070819251444400_r8', 'first-page': '906', 'volume': '57', 'year': '1998', 'journal-title': 'Phys. Rev. B'} / Phys. Rev. B (1998)
10.1126/science.267.5206.1924 / Science (1995)
10.1209/epl/i1997-00310-1 / Europhys. Lett. (1997)
10.1103/PhysRevB.59.8572 / Phys. Rev. B (1999)
10.1103/PhysRevLett.74.936 / Phys. Rev. Lett. (1995)
10.1063/1.470868 / J. Chem. Phys. (1996)
10.1103/PhysRevB.33.262 / Phys. Rev. B (1986)
10.1063/1.458192 / J. Chem. Phys. (1990)
10.1063/1.468407 / J. Chem. Phys. (1994)
10.1063/1.467027 / J. Chem. Phys. (1994)
10.1021/ar00053a001 / Acc. Chem. Res. (1995)
10.1021/jp963706h / J. Phys. Chem. A (1997)
10.1063/1.475722 / J. Chem. Phys. (1998)
10.1103/PhysRevLett.78.2385 / Phys. Rev. Lett. (1997)
10.1103/PhysRevLett.84.4605 / Phys. Rev. Lett. (2000)
10.1063/1.474822 / J. Chem. Phys. (1997)
10.1039/df9705000055 / Discuss. Faraday Soc. (1970)
10.1103/PhysRevLett.64.1955 / Phys. Rev. Lett. (1990)
10.1103/PhysRevB.54.15808 / Phys. Rev. B (1996)
{'key': '2023070819251444400_r27', 'first-page': '253', 'volume': '64', 'year': '1921', 'journal-title': 'Ann. Phys. (Leipzig)'} / Ann. Phys. (Leipzig) (1921)
10.1039/TF9716700012 / Trans. Faraday Soc. (1971)
10.1063/1.439486 / J. Chem. Phys. (1980)
10.1080/00268978400100801 / Mol. Phys. (1984)
{'key': '2023070819251444400_r31'}
{'key': '2023070819251444400_r32'}
10.1103/PhysRevLett.60.1318 / Phys. Rev. Lett. (1988)
10.1103/PhysRevB.60.3169 / Phys. Rev. B (1999)

Dates

Type	When
Created	23 years ago (July 26, 2002, 10:14 a.m.)
Deposited	2 years, 1 month ago (July 8, 2023, 3:25 p.m.)
Indexed	1 year, 4 months ago (April 3, 2024, 12:38 p.m.)
Issued	24 years, 6 months ago (Feb. 1, 2001)
Published	24 years, 6 months ago (Feb. 1, 2001)
Published Print	24 years, 6 months ago (Feb. 1, 2001)

Funders 0

None

BibTeX

@article{Bembenek_2001, title={Instantaneous normal modes analysis of amorphous and supercooled silica}, volume={114}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1337040}, DOI={10.1063/1.1337040}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bembenek, Scott D. and Laird, Brian B.}, year={2001}, month=feb, pages={2340–2344} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        4,
        3
      ]
    ],
    "date-time": "2024-04-03T16:38:09Z",
    "timestamp": 1712162289793
  },
  "reference-count": 34,
  "publisher": "AIP Publishing",
  "issue": "5",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2001,
        2,
        1
      ]
    ]
  },
  "abstract": "<jats:p>The dynamics of a model for amorphous and supercooled silica (SiO2), a strong glass former, is studied using instantaneous normal mode (INM) analysis. The INM spectra at a variety of temperatures are calculated via molecular dynamics simulation. At temperatures below the glass transition temperature, the dominant contribution to the soft highly anharmonic modes comprising the imaginary frequency region of the INM spectrum are found to correspond to coupled rotations of SiO4 tetrahedral units, consistent with interpretations of neutron scattering experiments [B. B. Buchenau, H. M. Zhou, and N. Nucker, Phys. Rev. Lett. 60, 1318 (1988)] and with previous normal mode analysis of simulation results at T=0 K [S. N. Taraskin and S. R. Elliot, Phys. Rev. B 56, 8623 (1997)].</jats:p>",
  "DOI": "10.1063/1.1337040",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T14:14:42Z",
    "timestamp": 1027692882000
  },
  "page": "2340-2344",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 26,
  "title": "Instantaneous normal modes analysis of amorphous and supercooled silica",
  "prefix": "10.1063",
  "volume": "114",
  "author": [
    {
      "given": "Scott D.",
      "family": "Bembenek",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, Colorado State University, Fort Collins, Colorado\u200980523"
        }
      ]
    },
    {
      "given": "Brian B.",
      "family": "Laird",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of Kansas, Lawrence, Kansas\u200966045"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2023070819251444400_r1",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1080/14786437208229210",
      "volume": "25",
      "year": "1972",
      "journal-title": "Philos. Mag."
    },
    {
      "key": "2023070819251444400_r2",
      "doi-asserted-by": "crossref",
      "first-page": "351",
      "DOI": "10.1007/BF00660072",
      "volume": "7",
      "year": "1972",
      "journal-title": "J. Low Temp. Phys."
    },
    {
      "key": "2023070819251444400_r3",
      "doi-asserted-by": "crossref",
      "first-page": "117",
      "DOI": "10.1016/0022-3093(85)90057-2",
      "volume": "76",
      "year": "1985",
      "journal-title": "J. Non-Cryst. Solids"
    },
    {
      "key": "2023070819251444400_r4",
      "doi-asserted-by": "crossref",
      "first-page": "5665",
      "DOI": "10.1103/PhysRevB.34.5665",
      "volume": "34",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070819251444400_r5",
      "doi-asserted-by": "crossref",
      "first-page": "695",
      "DOI": "10.1209/0295-5075/6/8/005",
      "volume": "6",
      "year": "1988",
      "journal-title": "Europhys. Lett."
    },
    {
      "key": "2023070819251444400_r6",
      "doi-asserted-by": "crossref",
      "first-page": "659",
      "DOI": "10.1103/PhysRevLett.77.659",
      "volume": "77",
      "year": "1996",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r7",
      "doi-asserted-by": "crossref",
      "first-page": "636",
      "DOI": "10.1103/PhysRevLett.66.636",
      "volume": "66",
      "year": "1991",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r8",
      "first-page": "906",
      "volume": "57",
      "year": "1998",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070819251444400_r9",
      "doi-asserted-by": "crossref",
      "first-page": "1924",
      "DOI": "10.1126/science.267.5206.1924",
      "volume": "267",
      "year": "1995",
      "journal-title": "Science"
    },
    {
      "key": "2023070819251444400_r10",
      "doi-asserted-by": "crossref",
      "first-page": "37",
      "DOI": "10.1209/epl/i1997-00310-1",
      "volume": "39",
      "year": "1997",
      "journal-title": "Europhys. Lett."
    },
    {
      "key": "2023070819251444400_r11",
      "doi-asserted-by": "crossref",
      "first-page": "8572",
      "DOI": "10.1103/PhysRevB.59.8572",
      "volume": "59",
      "year": "1999",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070819251444400_r12",
      "doi-asserted-by": "crossref",
      "first-page": "936",
      "DOI": "10.1103/PhysRevLett.74.936",
      "volume": "74",
      "year": "1995",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r13",
      "doi-asserted-by": "crossref",
      "first-page": "1",
      "DOI": "10.1063/1.470868",
      "volume": "104",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r14",
      "doi-asserted-by": "crossref",
      "first-page": "262",
      "DOI": "10.1103/PhysRevB.33.262",
      "volume": "33",
      "year": "1986",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070819251444400_r15",
      "doi-asserted-by": "crossref",
      "first-page": "7565",
      "DOI": "10.1063/1.458192",
      "volume": "92",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r16",
      "doi-asserted-by": "crossref",
      "first-page": "5081",
      "DOI": "10.1063/1.468407",
      "volume": "101",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r17",
      "doi-asserted-by": "crossref",
      "first-page": "6672",
      "DOI": "10.1063/1.467027",
      "volume": "100",
      "year": "1994",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r18",
      "doi-asserted-by": "crossref",
      "first-page": "201",
      "DOI": "10.1021/ar00053a001",
      "volume": "28",
      "year": "1995",
      "journal-title": "Acc. Chem. Res."
    },
    {
      "key": "2023070819251444400_r19",
      "doi-asserted-by": "crossref",
      "first-page": "2921",
      "DOI": "10.1021/jp963706h",
      "volume": "101",
      "year": "1997",
      "journal-title": "J. Phys. Chem. A"
    },
    {
      "key": "2023070819251444400_r20",
      "doi-asserted-by": "crossref",
      "first-page": "3256",
      "DOI": "10.1063/1.475722",
      "volume": "108",
      "year": "1998",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r21",
      "doi-asserted-by": "crossref",
      "first-page": "2385",
      "DOI": "10.1103/PhysRevLett.78.2385",
      "volume": "78",
      "year": "1997",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r22",
      "doi-asserted-by": "crossref",
      "first-page": "4605",
      "DOI": "10.1103/PhysRevLett.84.4605",
      "volume": "84",
      "year": "2000",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r23",
      "doi-asserted-by": "crossref",
      "first-page": "4618",
      "DOI": "10.1063/1.474822",
      "volume": "107",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r24",
      "doi-asserted-by": "crossref",
      "first-page": "55",
      "DOI": "10.1039/df9705000055",
      "volume": "50",
      "year": "1970",
      "journal-title": "Discuss. Faraday Soc."
    },
    {
      "key": "2023070819251444400_r25",
      "doi-asserted-by": "crossref",
      "first-page": "1955",
      "DOI": "10.1103/PhysRevLett.64.1955",
      "volume": "64",
      "year": "1990",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r26",
      "doi-asserted-by": "crossref",
      "first-page": "15808",
      "DOI": "10.1103/PhysRevB.54.15808",
      "volume": "54",
      "year": "1996",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070819251444400_r27",
      "first-page": "253",
      "volume": "64",
      "year": "1921",
      "journal-title": "Ann. Phys. (Leipzig)"
    },
    {
      "key": "2023070819251444400_r28",
      "doi-asserted-by": "crossref",
      "first-page": "12",
      "DOI": "10.1039/TF9716700012",
      "volume": "67",
      "year": "1971",
      "journal-title": "Trans. Faraday Soc."
    },
    {
      "key": "2023070819251444400_r29",
      "doi-asserted-by": "crossref",
      "first-page": "2384",
      "DOI": "10.1063/1.439486",
      "volume": "72",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2023070819251444400_r30",
      "doi-asserted-by": "crossref",
      "first-page": "1243",
      "DOI": "10.1080/00268978400100801",
      "volume": "51",
      "year": "1984",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2023070819251444400_r31"
    },
    {
      "key": "2023070819251444400_r32"
    },
    {
      "key": "2023070819251444400_r33",
      "doi-asserted-by": "crossref",
      "first-page": "1318",
      "DOI": "10.1103/PhysRevLett.60.1318",
      "volume": "60",
      "year": "1988",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070819251444400_r34",
      "doi-asserted-by": "crossref",
      "first-page": "3169",
      "DOI": "10.1103/PhysRevB.60.3169",
      "volume": "60",
      "year": "1999",
      "journal-title": "Phys. Rev. B"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/114/5/2340/10832990/2340_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/114/5/2340/10832990/2340_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        7,
        8
      ]
    ],
    "date-time": "2023-07-08T19:25:36Z",
    "timestamp": 1688844336000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/114/5/2340/444223/Instantaneous-normal-modes-analysis-of-amorphous"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2001,
        2,
        1
      ]
    ]
  },
  "references-count": 34,
  "journal-issue": {
    "issue": "5",
    "published-print": {
      "date-parts": [
        [
          2001,
          2,
          1
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.1337040",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2001,
        2,
        1
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2001,
        2,
        1
      ]
    ]
  }
}