Equilibrium spherically curved two-dimensional Lennard-Jones systems
To learn about the basic aspects of nanoscale spherical molecular shells during their formation, spherically curved two-dimensional N -particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero temperature. For many N values ( N < 800 ) equilibrium configurations are...
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| Veröffentlicht in: | The Journal of chemical physics 2005-08, Vol.123 (8), p.084105-084105-5 |
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| container_end_page | 084105-5 |
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| container_issue | 8 |
| container_start_page | 084105 |
| container_title | The Journal of chemical physics |
| container_volume | 123 |
| creator | Voogd, J. M. Sloot, P. M. A. van Dantzig, R. |
| description | To learn about the basic aspects of nanoscale spherical molecular shells during their formation, spherically curved two-dimensional
N
-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero temperature. For many
N
values
(
N
<
800
)
equilibrium configurations are traced as a function of the curvature radius
R
. Sharp jumps for tiny changes in
R
between trajectories with major differences in topological structure correspond to avalanche-like transitions. For a typical case,
N
=
25
, equilibrium configurations fall on smooth trajectories in state space which can be traced in the
E
-
R
plane. The trajectories show up with local energy minima, from which growth in
N
at steady curvature can develop. |
| doi_str_mv | 10.1063/1.2007707 |
| format | Article |
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N
-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero temperature. For many
N
values
(
N
<
800
)
equilibrium configurations are traced as a function of the curvature radius
R
. Sharp jumps for tiny changes in
R
between trajectories with major differences in topological structure correspond to avalanche-like transitions. For a typical case,
N
=
25
, equilibrium configurations fall on smooth trajectories in state space which can be traced in the
E
-
R
plane. The trajectories show up with local energy minima, from which growth in
N
at steady curvature can develop.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/1.2007707</identifier><identifier>PMID: 16164280</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>United States: American Institute of Physics</publisher><subject>Chemistry, Physical - methods ; Computer Simulation ; Models, Statistical ; Models, Theoretical ; Molecular Conformation ; Temperature ; Thermodynamics</subject><ispartof>The Journal of chemical physics, 2005-08, Vol.123 (8), p.084105-084105-5</ispartof><rights>2005 American Institute of Physics</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c338t-f8366ef2a0410b2a1777bfa1dadca19fc094aa272c8792d5d601a1edcf3a8e333</citedby><cites>FETCH-LOGICAL-c338t-f8366ef2a0410b2a1777bfa1dadca19fc094aa272c8792d5d601a1edcf3a8e333</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,790,1553,4497,27903,27904</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/16164280$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Voogd, J. M.</creatorcontrib><creatorcontrib>Sloot, P. M. A.</creatorcontrib><creatorcontrib>van Dantzig, R.</creatorcontrib><title>Equilibrium spherically curved two-dimensional Lennard-Jones systems</title><title>The Journal of chemical physics</title><addtitle>J Chem Phys</addtitle><description>To learn about the basic aspects of nanoscale spherical molecular shells during their formation, spherically curved two-dimensional
N
-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero temperature. For many
N
values
(
N
<
800
)
equilibrium configurations are traced as a function of the curvature radius
R
. Sharp jumps for tiny changes in
R
between trajectories with major differences in topological structure correspond to avalanche-like transitions. For a typical case,
N
=
25
, equilibrium configurations fall on smooth trajectories in state space which can be traced in the
E
-
R
plane. The trajectories show up with local energy minima, from which growth in
N
at steady curvature can develop.</description><subject>Chemistry, Physical - methods</subject><subject>Computer Simulation</subject><subject>Models, Statistical</subject><subject>Models, Theoretical</subject><subject>Molecular Conformation</subject><subject>Temperature</subject><subject>Thermodynamics</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2005</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp10L1OwzAUhmELgWgpDNwAyoTEEDjHTu14QUKl_KkSC8yWYzvCKD-tnYB69wQ1CBamb3n0DS8hpwiXCJxd4SUFEALEHpki5DIVXMI-mQJQTCUHPiFHMb4DAAqaHZIJcuQZzWFKbpeb3le-CL6vk7h-c8EbXVXbxPThw9mk-2xT62vXRN82ukpWrml0sOlT27iYxG3sXB2PyUGpq-hOxp2R17vly-IhXT3fPy5uVqlhLO_SMmecu5JqyBAKqlEIUZQarbZGoywNyExrKqjJhaR2bjmgRmdNyXTuGGMzcr77XYd207vYqdpH46pKN67to-L5XKKkfIAXO2hCG2NwpVoHX-uwVQjqO5lCNSYb7Nl42he1s79ybDSA6x2Ixne6Gzr8__anpvqpyb4AmP18gQ</recordid><startdate>20050822</startdate><enddate>20050822</enddate><creator>Voogd, J. M.</creator><creator>Sloot, P. M. A.</creator><creator>van Dantzig, R.</creator><general>American Institute of Physics</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20050822</creationdate><title>Equilibrium spherically curved two-dimensional Lennard-Jones systems</title><author>Voogd, J. M. ; Sloot, P. M. A. ; van Dantzig, R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c338t-f8366ef2a0410b2a1777bfa1dadca19fc094aa272c8792d5d601a1edcf3a8e333</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2005</creationdate><topic>Chemistry, Physical - methods</topic><topic>Computer Simulation</topic><topic>Models, Statistical</topic><topic>Models, Theoretical</topic><topic>Molecular Conformation</topic><topic>Temperature</topic><topic>Thermodynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Voogd, J. M.</creatorcontrib><creatorcontrib>Sloot, P. M. A.</creatorcontrib><creatorcontrib>van Dantzig, R.</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Voogd, J. M.</au><au>Sloot, P. M. A.</au><au>van Dantzig, R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Equilibrium spherically curved two-dimensional Lennard-Jones systems</atitle><jtitle>The Journal of chemical physics</jtitle><addtitle>J Chem Phys</addtitle><date>2005-08-22</date><risdate>2005</risdate><volume>123</volume><issue>8</issue><spage>084105</spage><epage>084105-5</epage><pages>084105-084105-5</pages><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>To learn about the basic aspects of nanoscale spherical molecular shells during their formation, spherically curved two-dimensional
N
-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero temperature. For many
N
values
(
N
<
800
)
equilibrium configurations are traced as a function of the curvature radius
R
. Sharp jumps for tiny changes in
R
between trajectories with major differences in topological structure correspond to avalanche-like transitions. For a typical case,
N
=
25
, equilibrium configurations fall on smooth trajectories in state space which can be traced in the
E
-
R
plane. The trajectories show up with local energy minima, from which growth in
N
at steady curvature can develop.</abstract><cop>United States</cop><pub>American Institute of Physics</pub><pmid>16164280</pmid><doi>10.1063/1.2007707</doi><tpages>1</tpages></addata></record> |
| fulltext | fulltext |
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| ispartof | The Journal of chemical physics, 2005-08, Vol.123 (8), p.084105-084105-5 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_68591926 |
| source | MEDLINE; AIP Journals Complete; AIP Digital Archive |
| subjects | Chemistry, Physical - methods Computer Simulation Models, Statistical Models, Theoretical Molecular Conformation Temperature Thermodynamics |
| title | Equilibrium spherically curved two-dimensional Lennard-Jones systems |
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