Anisotropy in the mechanical properties of organic crystals: temperature dependence

RSC Advances ◽  
2015 ◽  
Vol 5 (79) ◽  
pp. 64156-64162 ◽  
Author(s):  
Reda M. Mohamed ◽  
Manish Kumar Mishra ◽  
Laila M. AL-Harbi ◽  
Mohammed S. Al-Ghamdi ◽  
Upadrasta Ramamurty
Keyword(s):  
Mechanical Properties ◽  
Mechanical Behavior ◽  
Temperature Dependence ◽  
Molecular Crystals ◽  
Behavior Changes ◽  
Organic Crystals ◽  
Temperature Range ◽  
Organic Molecular Crystals ◽  
Nanoindentation Technique

Nanoindentation technique was employed on organic molecular crystals to investigate how the anisotropy in the mechanical behavior changes within the temperature range of 283 to 343 K.

scholarly journals Accurate force fields and methods for modelling organic molecular crystals at finite temperatures

2016 ◽  
Vol 18 (23) ◽  
pp. 15828-15837 ◽  
Author(s):  
Jonas Nyman ◽  
Orla Sheehan Pundyke ◽  
Graeme M. Day
Keyword(s):  
Free Energy ◽  
Force Fields ◽  
Molecular Crystals ◽  
Lattice Energy ◽  
Organic Crystals ◽  
Organic Molecular Crystals ◽  
Energy Modelling

We assess a series of atom–atom force fields for lattice energy and free energy modelling of molecular organic crystals.

scholarly journals Tuning the Mechanical Flexibility of Organic Molecular Crystal by Polymorphism for Flexible Optical Waveguide

CrystEngComm ◽  
2021 ◽  
Author(s):  
Torvid Feiler ◽  
Biswajit Bhattacharya ◽  
Adam A.L. Michalchuk ◽  
Seon-Young Rhim ◽  
Vincent Schröder ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Optical Waveguide ◽  
Functional Properties ◽  
Molecular Crystal ◽  
Molecular Crystals ◽  
Optical Devices ◽  
Organic Molecular Crystals ◽  
Organic Molecular Crystal

The ability to selectively tune the optical and the mechanical properties of organic molecular crystals offers a promising approach towards developing flexible optical devices. These functional properties are sensitive to...

Extreme strain rate and temperature dependence of the mechanical properties of nano silicon nitride thin layers in a basal plane under tension: a molecular dynamics study

2014 ◽  
Vol 16 (29) ◽  
pp. 15551-15557 ◽  
Author(s):  
Xuefeng Lu ◽  
Hongjie Wang ◽  
Yin Wei ◽  
Jiangbo Wen ◽  
Min Niu ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Silicon Nitride ◽  
Strain Rate ◽  
Mechanical Behavior ◽  
Temperature Dependence ◽  
Basal Plane ◽  
Thin Layers ◽  
Nano Silicon

The extreme strain rate and temperature dependence of the mechanical behavior of nano silicon nitride thin layers in a basal plane are determined.

scholarly journals The mechanical properties of as-grown noncubic organic molecular crystals assessed by nanoindentation

2017 ◽  
Vol 32 (14) ◽  
pp. 2728-2737 ◽  
Author(s):  
Matthew R. Taw ◽  
John D. Yeager ◽  
Daniel E. Hooks ◽  
Teresa M. Carvajal ◽  
David F. Bahr
Keyword(s):  
Mechanical Properties ◽  
Molecular Crystals ◽  
Organic Molecular Crystals ◽  
Image Position

Abstract

scholarly journals Toward polarizable AMOEBA thermodynamics at fixed charge efficiency using a dual force field approach: application to organic crystals

2016 ◽  
Vol 18 (44) ◽  
pp. 30313-30322 ◽  
Author(s):  
Ian J. Nessler ◽  
Jacob M. Litman ◽  
Michael J. Schnieders
Keyword(s):  
Potential Energy ◽  
First Principles ◽  
Molecular Crystals ◽  
Organic Crystals ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Field Approach ◽  
Organic Molecular Crystals ◽  
Engineering Sciences ◽  
Chemical Material

First principles prediction of the structure, thermodynamics and solubility of organic molecular crystals, which play a central role in chemical, material, pharmaceutical and engineering sciences, challenges both potential energy functions and sampling methodologies.

Temperature dependence of electron mobility in N-type organic molecular crystals: Theoretical study

2017 ◽  
Vol 688 ◽  
pp. 19-25 ◽  
Author(s):  
Lili Lin ◽  
Jianzhong Fan ◽  
Supu Jiang ◽  
Zhongjie Wang ◽  
Chuan-Kui Wang
Keyword(s):  
Temperature Dependence ◽  
Electron Mobility ◽  
Theoretical Study ◽  
Molecular Crystals ◽  
Organic Molecular Crystals

Temperature Dependence of Mechanical Properties in Molecular Crystals

2015 ◽  
Vol 15 (5) ◽  
pp. 2474-2479 ◽  
Author(s):  
Reda M. Mohamed ◽  
Manish Kumar Mishra ◽  
Laila M. AL-Harbi ◽  
Mohammed S. Al-Ghamdi ◽  
Abdullah M. Asiri ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Temperature Dependence ◽  
Molecular Crystals

Organic Molecular Crystals: From Non-Porous Structure to Potential Porous Structure Controlled by Reaction Temperature

2014 ◽  
Vol 67 (11) ◽  
pp. 1675
Author(s):  
Xiao-Liu Wu ◽  
Ming-Biao Luo ◽  
Jian-Qiang Li ◽  
Yan Zhu ◽  
Feng Luo
Keyword(s):  
Porous Structure ◽  
Reaction Temperature ◽  
Organic Molecules ◽  
Molecular Crystals ◽  
Organic Crystals ◽  
Structural Studies ◽  
Microporous Structure ◽  
Organic Molecular Crystals

Reported here are two novel organic crystals, L 1 and L·(DMF)1.5 2 (DMF = (CH3)2NCHO), showing non-porous and microporous structure, where the formations can be precisely controlled by varying the reaction temperature. The reason for this exciting discovery could be directly related to the various degrees of distortion in the organic molecules as observed in 1 and 2, where detailed structural studies were carried out.

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