ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY
We studied ultrathin layers of 𝑛-cyanobiphenyl (𝑛 = 5,6,7,8) mesogene molecules forming thin films on a graphene plane using molecular dynamics simulations in a wide temperature range (220–420 K). Each modeled ensemble was heated to the maximum temperature and then cooled (reverse procedure). We ca...
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| Format: | Article |
| Language: | English |
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Gdańsk University of Technology
2018-04-01
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| Series: | TASK Quarterly |
| Subjects: | |
| Online Access: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1770 |
| _version_ | 1811306823199752192 |
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| author | WOJCIECH GWIZDAŁA VIOLETTA RACZYŃSKA PRZEMYSŁAW RACZYŃSKI KRZYSZTOF GÓRNY ZBIGNIEW DENDZIK |
| author_facet | WOJCIECH GWIZDAŁA VIOLETTA RACZYŃSKA PRZEMYSŁAW RACZYŃSKI KRZYSZTOF GÓRNY ZBIGNIEW DENDZIK |
| author_sort | WOJCIECH GWIZDAŁA |
| collection | DOAJ |
| description |
We studied ultrathin layers of 𝑛-cyanobiphenyl (𝑛 = 5,6,7,8) mesogene molecules forming thin films on a graphene plane using molecular dynamics simulations in a wide temperature range (220–420 K). Each modeled ensemble was heated to the maximum temperature and then cooled (reverse procedure). We calculated the second rank order parameter as a measure of the molecular order of mesogene molecules and we discuss the distribution of angles between them and the global sample director.
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| first_indexed | 2024-04-13T08:52:40Z |
| format | Article |
| id | doaj.art-b5e62c5432894228b54906ae8124e3ee |
| institution | Directory Open Access Journal |
| issn | 1428-6394 |
| language | English |
| last_indexed | 2024-04-13T08:52:40Z |
| publishDate | 2018-04-01 |
| publisher | Gdańsk University of Technology |
| record_format | Article |
| series | TASK Quarterly |
| spelling | doaj.art-b5e62c5432894228b54906ae8124e3ee2022-12-22T02:53:26ZengGdańsk University of TechnologyTASK Quarterly1428-63942018-04-0122210.17466/tq2018/22.2/aON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDYWOJCIECH GWIZDAŁA0VIOLETTA RACZYŃSKA1PRZEMYSŁAW RACZYŃSKI2KRZYSZTOF GÓRNY3ZBIGNIEW DENDZIK4Institute of Computer Science, Pedagogical UniversityInstitute of Physics, University of SilesiaInstitute of Physics, University of Silesia; Silesian Centre of Education & Interdisciplinary ResearchInstitute of Physics, University of Silesia; Silesian Centre of Education & Interdisciplinary ResearchInstitute of Physics, University of Silesia; Silesian Centre of Education & Interdisciplinary Research We studied ultrathin layers of 𝑛-cyanobiphenyl (𝑛 = 5,6,7,8) mesogene molecules forming thin films on a graphene plane using molecular dynamics simulations in a wide temperature range (220–420 K). Each modeled ensemble was heated to the maximum temperature and then cooled (reverse procedure). We calculated the second rank order parameter as a measure of the molecular order of mesogene molecules and we discuss the distribution of angles between them and the global sample director. https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1770order parameterliquid crystalsgrapheneultrathin layer |
| spellingShingle | WOJCIECH GWIZDAŁA VIOLETTA RACZYŃSKA PRZEMYSŁAW RACZYŃSKI KRZYSZTOF GÓRNY ZBIGNIEW DENDZIK ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY TASK Quarterly order parameter liquid crystals graphene ultrathin layer |
| title | ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY |
| title_full | ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY |
| title_fullStr | ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY |
| title_full_unstemmed | ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY |
| title_short | ON THE ORDERING OF n-CYANOBIPHENYL MESOGENE MOLECULES ON GRAPHENE – A COMPUTER SIMULATION STUDY |
| title_sort | on the ordering of n cyanobiphenyl mesogene molecules on graphene a computer simulation study |
| topic | order parameter liquid crystals graphene ultrathin layer |
| url | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1770 |
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