Energy landscape of a Lennard-Jones liquid: Statistics of stationary points
Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is revealed. The degree of instability of typical statio...
Gespeichert in:
| Veröffentlicht in: | arXiv.org 2001-04 |
|---|---|
| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | |
| container_start_page | |
| container_title | arXiv.org |
| container_volume | |
| creator | Broderix, Kurt Bhattacharya, Kamal K Cavagna, Andrea Zippelius, Annette Giardina, Irene |
| description | Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is revealed. The degree of instability of typical stationary points vanishes at a threshold potential energy, which lies above the energy of the lowest glassy minima of the system. The energies of the inherent states, as obtained by the Stillinger-Weber method, approach the threshold energy at a temperature close to the mode-coupling transition temperature Tc. |
| doi_str_mv | 10.48550/arxiv.0007258 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_journals_2088515029</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2088515029</sourcerecordid><originalsourceid>FETCH-proquest_journals_20885150293</originalsourceid><addsrcrecordid>eNqNykELgjAYxvERBEl57TzorM3N1eoaRlS3usvQGRPZdO-M_PYp9AE6PTz8fwitExKngnOyle6j3zEhZE-5mKGAMpZEIqV0gUKAegx0NybOAnTLjHKvATfSlFDIVmFbYYnvyhjpyuhqjQLc6K7X5RE_vPQavC5gUjA9O7IBt1YbDys0r2QDKvztEm3O2fN0iVpnu16Bz2vbOzOmnBIheMIJPbD_1BeRl0LA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2088515029</pqid></control><display><type>article</type><title>Energy landscape of a Lennard-Jones liquid: Statistics of stationary points</title><source>Free E- Journals</source><creator>Broderix, Kurt ; Bhattacharya, Kamal K ; Cavagna, Andrea ; Zippelius, Annette ; Giardina, Irene</creator><creatorcontrib>Broderix, Kurt ; Bhattacharya, Kamal K ; Cavagna, Andrea ; Zippelius, Annette ; Giardina, Irene</creatorcontrib><description>Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is revealed. The degree of instability of typical stationary points vanishes at a threshold potential energy, which lies above the energy of the lowest glassy minima of the system. The energies of the inherent states, as obtained by the Stillinger-Weber method, approach the threshold energy at a temperature close to the mode-coupling transition temperature Tc.</description><identifier>EISSN: 2331-8422</identifier><identifier>DOI: 10.48550/arxiv.0007258</identifier><language>eng</language><publisher>Ithaca: Cornell University Library, arXiv.org</publisher><subject>Coupling (molecular) ; Energy ; Molecular dynamics ; Potential energy ; Saddles ; Stability ; Transition temperature</subject><ispartof>arXiv.org, 2001-04</ispartof><rights>2001. This work is published under https://arxiv.org/licenses/assumed-1991-2003/license.html (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>780,784,27925</link.rule.ids></links><search><creatorcontrib>Broderix, Kurt</creatorcontrib><creatorcontrib>Bhattacharya, Kamal K</creatorcontrib><creatorcontrib>Cavagna, Andrea</creatorcontrib><creatorcontrib>Zippelius, Annette</creatorcontrib><creatorcontrib>Giardina, Irene</creatorcontrib><title>Energy landscape of a Lennard-Jones liquid: Statistics of stationary points</title><title>arXiv.org</title><description>Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is revealed. The degree of instability of typical stationary points vanishes at a threshold potential energy, which lies above the energy of the lowest glassy minima of the system. The energies of the inherent states, as obtained by the Stillinger-Weber method, approach the threshold energy at a temperature close to the mode-coupling transition temperature Tc.</description><subject>Coupling (molecular)</subject><subject>Energy</subject><subject>Molecular dynamics</subject><subject>Potential energy</subject><subject>Saddles</subject><subject>Stability</subject><subject>Transition temperature</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><recordid>eNqNykELgjAYxvERBEl57TzorM3N1eoaRlS3usvQGRPZdO-M_PYp9AE6PTz8fwitExKngnOyle6j3zEhZE-5mKGAMpZEIqV0gUKAegx0NybOAnTLjHKvATfSlFDIVmFbYYnvyhjpyuhqjQLc6K7X5RE_vPQavC5gUjA9O7IBt1YbDys0r2QDKvztEm3O2fN0iVpnu16Bz2vbOzOmnBIheMIJPbD_1BeRl0LA</recordid><startdate>20010409</startdate><enddate>20010409</enddate><creator>Broderix, Kurt</creator><creator>Bhattacharya, Kamal K</creator><creator>Cavagna, Andrea</creator><creator>Zippelius, Annette</creator><creator>Giardina, Irene</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope></search><sort><creationdate>20010409</creationdate><title>Energy landscape of a Lennard-Jones liquid: Statistics of stationary points</title><author>Broderix, Kurt ; Bhattacharya, Kamal K ; Cavagna, Andrea ; Zippelius, Annette ; Giardina, Irene</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-proquest_journals_20885150293</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2001</creationdate><topic>Coupling (molecular)</topic><topic>Energy</topic><topic>Molecular dynamics</topic><topic>Potential energy</topic><topic>Saddles</topic><topic>Stability</topic><topic>Transition temperature</topic><toplevel>online_resources</toplevel><creatorcontrib>Broderix, Kurt</creatorcontrib><creatorcontrib>Bhattacharya, Kamal K</creatorcontrib><creatorcontrib>Cavagna, Andrea</creatorcontrib><creatorcontrib>Zippelius, Annette</creatorcontrib><creatorcontrib>Giardina, Irene</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Broderix, Kurt</au><au>Bhattacharya, Kamal K</au><au>Cavagna, Andrea</au><au>Zippelius, Annette</au><au>Giardina, Irene</au><format>book</format><genre>document</genre><ristype>GEN</ristype><atitle>Energy landscape of a Lennard-Jones liquid: Statistics of stationary points</atitle><jtitle>arXiv.org</jtitle><date>2001-04-09</date><risdate>2001</risdate><eissn>2331-8422</eissn><abstract>Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is revealed. The degree of instability of typical stationary points vanishes at a threshold potential energy, which lies above the energy of the lowest glassy minima of the system. The energies of the inherent states, as obtained by the Stillinger-Weber method, approach the threshold energy at a temperature close to the mode-coupling transition temperature Tc.</abstract><cop>Ithaca</cop><pub>Cornell University Library, arXiv.org</pub><doi>10.48550/arxiv.0007258</doi><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | EISSN: 2331-8422 |
| ispartof | arXiv.org, 2001-04 |
| issn | 2331-8422 |
| language | eng |
| recordid | cdi_proquest_journals_2088515029 |
| source | Free E- Journals |
| subjects | Coupling (molecular) Energy Molecular dynamics Potential energy Saddles Stability Transition temperature |
| title | Energy landscape of a Lennard-Jones liquid: Statistics of stationary points |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-26T09%3A42%3A01IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:book&rft.genre=document&rft.atitle=Energy%20landscape%20of%20a%20Lennard-Jones%20liquid:%20Statistics%20of%20stationary%20points&rft.jtitle=arXiv.org&rft.au=Broderix,%20Kurt&rft.date=2001-04-09&rft.eissn=2331-8422&rft_id=info:doi/10.48550/arxiv.0007258&rft_dat=%3Cproquest%3E2088515029%3C/proquest%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2088515029&rft_id=info:pmid/&rfr_iscdi=true |