Eshelby untwisting. Issue 45 (7th May 2021)
- Record Type:
- Journal Article
- Title:
- Eshelby untwisting. Issue 45 (7th May 2021)
- Main Title:
- Eshelby untwisting
- Authors:
- Zhong, Xiaodi
Zhou, Hengyu
Li, Chao
Shtukenberg, Alexander G.
Ward, Michael D.
Kahr, Bart - Abstract:
- Abstract : The concept of Eshelby untwisting, the effect of an axial screw dislocation driving an intrinsically twisted nanocrystal towards a straighter configuration more consistent with long–range translational symmetry, is introduced here. Abstract : The concept of Eshelby untwisting, the effect of an axial screw dislocation driving an intrinsically twisted nanocrystal towards a straighter configuration more consistent with long–range translational symmetry, is introduced here. Force-field simulations of nanorods built from the enantiomorphous (space groups, P 31 21 and P 32 21) crystal structures of benzil (C6 H5 –C(O)–C(O)–C6 H5 ) were previously shown to twist in opposite directions, even in the absence of dislocations. Here, both right- and left-handed screw dislocations were introduced into benzil nanorods in silico . For rods built from the P 32 21 enantiomorph, dislocations with negative Burgers vectors increased the right-handed twisting already present in the intrinsically twisted structures without dislocations, whereas dislocations with positive Burgers vectors drove the twisted structure back towards a straight configuration, untwisting. In the dynamic simulations, the P 32 21 helicoid endowed with a positive Burgers vector ultimately twisted back through the straight configuration, until a helicoid of opposite sense from that of the starting structure, was obtained. The bearing of these observations on the propensity of small crystals to adopt non-polyhedralAbstract : The concept of Eshelby untwisting, the effect of an axial screw dislocation driving an intrinsically twisted nanocrystal towards a straighter configuration more consistent with long–range translational symmetry, is introduced here. Abstract : The concept of Eshelby untwisting, the effect of an axial screw dislocation driving an intrinsically twisted nanocrystal towards a straighter configuration more consistent with long–range translational symmetry, is introduced here. Force-field simulations of nanorods built from the enantiomorphous (space groups, P 31 21 and P 32 21) crystal structures of benzil (C6 H5 –C(O)–C(O)–C6 H5 ) were previously shown to twist in opposite directions, even in the absence of dislocations. Here, both right- and left-handed screw dislocations were introduced into benzil nanorods in silico . For rods built from the P 32 21 enantiomorph, dislocations with negative Burgers vectors increased the right-handed twisting already present in the intrinsically twisted structures without dislocations, whereas dislocations with positive Burgers vectors drove the twisted structure back towards a straight configuration, untwisting. In the dynamic simulations, the P 32 21 helicoid endowed with a positive Burgers vector ultimately twisted back through the straight configuration, until a helicoid of opposite sense from that of the starting structure, was obtained. The bearing of these observations on the propensity of small crystals to adopt non-polyhedral morphologies is discussed. … (more)
- Is Part Of:
- Chemical communications. Volume 57:Issue 45(2021)
- Journal:
- Chemical communications
- Issue:
- Volume 57:Issue 45(2021)
- Issue Display:
- Volume 57, Issue 45 (2021)
- Year:
- 2021
- Volume:
- 57
- Issue:
- 45
- Issue Sort Value:
- 2021-0057-0045-0000
- Page Start:
- 5538
- Page End:
- 5541
- Publication Date:
- 2021-05-07
- Subjects:
- Chemistry -- Periodicals
540 - Journal URLs:
- http://pubs.rsc.org/en/journals/journalissues/cc ↗
http://www.rsc.org/ ↗ - DOI:
- 10.1039/d1cc01431e ↗
- Languages:
- English
- ISSNs:
- 1359-7345
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 3139.350000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 17011.xml