dc.contributor.author | Bembenek, Scott D. | |
dc.contributor.author | Laird, Brian Bostian | |
dc.date.accessioned | 2014-12-17T15:53:47Z | |
dc.date.available | 2014-12-17T15:53:47Z | |
dc.date.issued | 2001-01-01 | |
dc.identifier.citation | Bembenek, Scott D.; Laird, Brian Bostian. "Instantaneous normal modes analysis of amorphous and supercooled silica." The Journal of Chemical Physics, 114(5):2340-2344. http://dx.doi.org/10.1063/1.1337040 | |
dc.identifier.issn | 0021-9606 | |
dc.identifier.uri | http://hdl.handle.net/1808/16142 | |
dc.description | This is the publisher's version, also available electronically from http://scitation.aip.org/content/aip/journal/jcp/114/5/10.1063/1.1337040. | |
dc.description.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)]. | |
dc.publisher | American Physical Society | |
dc.title | Instantaneous normal modes analysis of amorphous and supercooled silica | |
dc.type | Article | |
kusw.kuauthor | Laird, Brian Bostian | |
kusw.kudepartment | Chemistry | |
dc.identifier.doi | 10.1063/1.1337040 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess | |