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...

scholarly journals CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

2021 ◽  
Vol 54 (3) ◽  
Author(s):  
Peter R. Spackman ◽  
Michael J. Turner ◽  
Joshua J. McKinnon ◽  
Stephen K. Wolff ◽  
Daniel J. Grimwood ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Molecular Crystal ◽  
Academic Research ◽  
Molecular Crystals ◽  
Hirshfeld Surface ◽  
Quantum Mechanical ◽  
Two Dimensional ◽  
Current Version ◽  
The Past ◽  
Cross Platform

CrystalExplorer is a native cross-platform program supported on Windows, MacOS and Linux with the primary function of visualization and investigation of molecular crystal structures, especially through the decorated Hirshfeld surface and its corresponding two-dimensional fingerprint, and through the visualization of void spaces in the crystal via isosurfaces of the promolecule electron density. Over the past decade, significant changes and enhancements have been incorporated into the program, such as the capacity to accurately and quickly calculate and visualize quantitative intermolecular interactions and, perhaps most importantly, the ability to interface with the Gaussian and NWChem programs to calculate quantum-mechanical properties of molecules. The current version, CrystalExplorer21, incorporates these and other changes, and the software can be downloaded and used free of charge for academic research.

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 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

Mechanical Properties and Dislocation Structure of Single Crystal Cdte Deformed in Compression at 300°C

1976 ◽  
Vol 34 ◽  
pp. 592-593
Author(s):  
Ernest L. Hall ◽  
J. B. Vander Sande
Keyword(s):  
Mechanical Properties ◽  
Single Crystal ◽  
Dislocation Structure ◽  
Room Temperature ◽  
Elevated Temperatures ◽  
Strain Curve ◽  
Optical Devices ◽  
Semiconductor Compound ◽  
Wide Range ◽  
Sample Orientation

The present paper describes research on the mechanical properties and related dislocation structure of CdTe, a II-VI semiconductor compound with a wide range of uses in electrical and optical devices. At room temperature CdTe exhibits little plasticity and at the same time relatively low strength and hardness. The mechanical behavior of CdTe was examined at elevated temperatures with the goal of understanding plastic flow in this material and eventually improving the room temperature properties. Several samples of single crystal CdTe of identical size and crystallographic orientation were deformed in compression at 300°C to various levels of total strain. A resolved shear stress vs. compressive glide strain curve (Figure la) was derived from the results of the tests and the knowledge of the sample orientation.

Advancing the use of Voronoi–Dirichlet polyhedra to describe interactions in organic molecular crystal structures by the example of galunisertib polymorphs

CrystEngComm ◽  
2021 ◽  
Author(s):  
Viktor N. Serezhkin ◽  
Anton V. Savchenkov
Keyword(s):  
Crystal Structures ◽  
Molecular Crystal ◽  
Noncovalent Interactions ◽  
Organic Molecular Crystal ◽  
Universal Approach ◽  
Structure Properties

The universal approach for studying structure/properties relationships shows that every polymorph of galunisertib is characterized with unique noncovalent interactions.

Solid state amorphization of organic molecular crystals using a vibrating mill

1995 ◽  
Vol 94 (12) ◽  
pp. 1013-1018 ◽  
Author(s):  
Itaru Tsukushi ◽  
Osamu Yamamuro ◽  
Takasuke Matsuo
Keyword(s):  
Solid State ◽  
Molecular Crystals ◽  
Organic Molecular Crystals ◽  
State Amorphization

scholarly journals Role of Conical Intersections on the Efficiency of Fluorescent Organic Molecular Crystals

2021 ◽  
Vol 125 (4) ◽  
pp. 1012-1024
Author(s):  
Miguel Rivera ◽  
Ljiljana Stojanović ◽  
Rachel Crespo-Otero
Keyword(s):  
Molecular Crystals ◽  
Conical Intersections ◽  
Organic Molecular Crystals

In situ nanoscale visualization of solvent effects on molecular crystal surfaces

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mikkel Herzberg ◽  
Anders Støttrup Larsen ◽  
Tue Hassenkam ◽  
Anders Østergaard Madsen ◽  
Jukka Rantanen
Keyword(s):  
Solid Solution ◽  
Solvent Effects ◽  
Molecular Crystal ◽  
Rational Design ◽  
Molecular Level ◽  
Molecular Crystals ◽  
Crystal Surfaces ◽  
Solution Interface ◽  
Atomic Force

Solvents can dramatically affect molecular crystals. Obtaining favorable properties for these crystals requires rational design based on molecular level understanding of the solid-solution interface. Here we show how atomic force...

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