scholarly journals Deep learning to establish structure property relationships of impact copolymers from AFM phase images

2021 ◽  
Author(s):  
Dalia Yablon ◽  
Ishita Chakraborty ◽  
Hillary Passino ◽  
Krishnan Iyer ◽  
Antonios Doufas ◽  
...  
Keyword(s):  
Deep Learning ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Phase Images

scholarly journals Evaluation of process-structure-property relationships of carbon nanotube forests using simulation and deep learning

2020 ◽  
Author(s):  
◽  
Taheg Hajilounezhad
Keyword(s):  
Machine Learning ◽  
Deep Learning ◽  
Carbon Nanotube ◽  
Forest Growth ◽  
Structure Property ◽  
Deposition Parameter ◽  
Structure Property Relationships ◽  
In Situ Experiments ◽  
Process Structure

This work is aimed to explore process-structure-property relationships of carbon nanotube (CNT) forests. CNTs have superior mechanical, electrical and thermal properties that make them suitable for many applications. Yet, due to lack of manufacturing control, there is a huge performance gap between promising properties of individual CNTs and CNT forest properties that hinders their adoption into potential industrial applications. In this research, computational modelling, in-situ electron microscopy for CNT synthesis, and data-driven and high-throughput deep convolutional neural networks are employed to not only accelerate implementing CNTs in various applications but also to establish a framework to make validated predictive models that can be easily extended to achieve application-tailored synthesis of any materials. A time-resolved and physics-based finite-element simulation tool is modelled in MATLAB to investigate synthesis of CNT forests, specially to study the CNT-CNT interactions and generated mechanical forces and their role in ensemble structure and properties. A companion numerical model with similar construct is then employed to examine forest mechanical properties in compression. In addition, in-situ experiments are carried out inside Environmental Scanning Electron Microscope (ESEM) to nucleate and synthesize CNTs. Findings may primarily be used to expand the forest growth and self-assembly knowledge and to validate the assumptions of simulation package. Also, SEM images can be used as feed database to construct a deep learning model to grow CNTs by design. The chemical vapor deposition parameter space of CNT synthesis is so vast that it is not possible to investigate all conceivable combinations in terms of time and costs. Hence, simulated CNT forest morphology images are used to train machine learning and learning algorithms that are able to predict CNT synthesis conditions based on desired properties. Exceptionally high prediction accuracies of R2 > 0.94 is achieved for buckling load and stiffness, as well as accuracies of > 0.91 for the classification task. This high classification accuracy promotes discovering the CNT forest synthesis-structure relationships so that their promising performance can be adopted in real world applications. We foresee this work as a meaningful step towards creating an unsupervised simulation using machine learning techniques that can seek out the desired CNT forest synthesis parameters to achieve desired property sets for diverse applications.

Structure-property relationships of PE/PP sandwiched films

1987 ◽  
Vol 45 ◽  
pp. 454-455
Author(s):  
J. Petermann ◽  
G. Broza ◽  
U. Rieck ◽  
A. Jaballah ◽  
A. Kawaguchi
Keyword(s):  
Mechanical Tests ◽  
Polymer Materials ◽  
Ionic Crystals ◽  
Structure Property ◽  
Polymer Systems ◽  
Structure Property Relationships ◽  
Oriented Films ◽  
Materials Used ◽  
Polymer Laminates ◽  
Heated Glass

Oriented overgrowth of polymer materials onto ionic crystals is well known and recently it was demonstrated that this epitaxial crystallisation can also occur in polymer/polymer systems, under certain conditions. The morphologies and the resulting physical properties of such systems will be presented, especially the influence of epitaxial interfaces on the adhesion of polymer laminates and the mechanical properties of epitaxially crystallized sandwiched layers.Materials used were polyethylene, PE, Lupolen 6021 DX (HDPE) and 1810 D (LDPE) from BASF AG; polypropylene, PP, (PPN) provided by Höchst AG and polybutene-1, PB-1, Vestolen BT from Chemische Werke Hüls. Thin oriented films were prepared according to the method of Petermann and Gohil, by winding up two different polymer films from two separately heated glass-plates simultaneously with the help of a motor driven cylinder. One double layer was used for TEM investigations, while about 1000 sandwiched layers were taken for mechanical tests.

Approaches for TEM imaging of cavitation in toughened nylon

1989 ◽  
Vol 47 ◽  
pp. 352-353
Author(s):  
Barbara A. Wood
Keyword(s):  
Morphological Characteristics ◽  
Structure Property ◽  
Polymer Systems ◽  
Selective Staining ◽  
Structure Property Relationships ◽  
Rubber Toughened ◽  
Shear Yield ◽  
Controversial Topic ◽  
Selection Of ◽  
Diamond Knife

A controversial topic in the study of structure-property relationships of toughened polymer systems is the internal cavitation of toughener particles resulting from damage on impact or tensile deformation.Detailed observations of the influence of morphological characteristics such as particle size distribution on deformation mechanisms such as shear yield and cavitation could provide valuable guidance for selection of processing conditions, but TEM observation of damaged zones presents some experimental difficulties.Previously published TEM images of impact fractured toughened nylon show holes but contrast between matrix and toughener is lacking; other systems investigated have clearly shown cavitated impact modifier particles. In rubber toughened nylon, the physical characteristics of cavitated material differ from undamaged material to the extent that sectioning of heavily damaged regions by cryoultramicrotomy with a diamond knife results in sections of greater than optimum thickness (Figure 1). The detailed morphology is obscured despite selective staining of the rubber phase using the ruthenium trichloride route to ruthenium tetroxide.

Catalyst Halogenation Enables Rapid and Efficient Polymerizations with Visible to Near-Infrared Light

2020 ◽  
Author(s):  
Alex Stafford ◽  
Dowon Ahn ◽  
Emily Raulerson ◽  
Kun-You Chung ◽  
Kaihong Sun ◽  
...  
Keyword(s):  
Near Infrared ◽  
Transient Absorption ◽  
Reaction Times ◽  
Infrared Light ◽  
Structure Property ◽  
Light Emitting ◽  
Structure Property Relationships ◽  
Nir Light ◽  
Light Intensities ◽  
Emission Quenching

Driving rapid polymerizations with visible to near-infrared (NIR) light will enable nascent technologies in the emerging fields of bio- and composite-printing. However, current photopolymerization strategies are limited by long reaction times, high light intensities, and/or large catalyst loadings. Improving efficiency remains elusive without a comprehensive, mechanistic evaluation of photocatalysis to better understand how composition relates to polymerization metrics. With this objective in mind, a series of methine- and aza-bridged boron dipyrromethene (BODIPY) derivatives were synthesized and systematically characterized to elucidate key structure-property relationships that facilitate efficient photopolymerization driven by visible to NIR light. For both BODIPY scaffolds, halogenation was shown as a general method to increase polymerization rate, quantitatively characterized using a custom real-time infrared spectroscopy setup. Furthermore, a combination of steady-state emission quenching experiments, electronic structure calculations, and ultrafast transient absorption revealed that efficient intersystem crossing to the lowest excited triplet state upon halogenation was a key mechanistic step to achieving rapid photopolymerization reactions. Unprecedented polymerization rates were achieved with extremely low light intensities (< 1 mW/cm<sup>2</sup>) and catalyst loadings (< 50 μM), exemplified by reaction completion within 60 seconds of irradiation using green, red, and NIR light-emitting diodes.

A Review on Camptothecin Analogs with Promising Cytotoxic Profile

2019 ◽  
Vol 18 (13) ◽  
pp. 1796-1814 ◽  
Author(s):  
Sk. Abdul Amin ◽  
Nilanjan Adhikari ◽  
Tarun Jha ◽  
Shovanlal Gayen
Keyword(s):  
Cell Lines ◽  
Cancer Cell ◽  
Cancer Cell Lines ◽  
Structure Property ◽  
Cytotoxic Potential ◽  
Structure Property Relationships ◽  
Structure Activity ◽  
Camptothecin Analogs ◽  
Pharmacokinetic Properties ◽  
Quantitative Structure Activity Relationships

Camptothecin (CPT), obtained from Camptotheca acuminata (Nyssaceae), is a quinoline type of alkaloid. Apart from various traditional uses, it is mainly used as a potential cytotoxic agent acting against a variety of cancer cell lines. Though searches have been continued for last six decades, still it is a demanding task to design potent and cytotoxic CPTs. Different CPT analogs are synthesized to enhance the cytotoxic potential as well as to increase the pharmacokinetic properties of these analogs. Some of these analogs were proven to be clinically effective in different cancer cell lines. In this article, different CPT analogs have been highlighted extensively to get a detail insight about the structure-property relationships as well as different quantitative structure-activity relationships (QSARs) modeling of these analogs are also discussed. This study may be beneficial for designing newer CPT analogs in future.

Structure-property relationships in bainitic steels

1990 ◽  
Vol 21 (6) ◽  
pp. 1527-1540 ◽  
Author(s):  
D. V. Edmonds ◽  
R. C. Cochrane
Keyword(s):  
Structure Property ◽  
Structure Property Relationships ◽  
Bainitic Steels

scholarly journals Expanding Monomers as Anti-Shrinkage Additives

Polymers ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 806
Author(s):  
Philipp Marx ◽  
Frank Wiesbrock
Keyword(s):  
Ring Opening ◽  
Covalent Bond ◽  
Volumetric Shrinkage ◽  
Structure Property ◽  
Atomic Packing ◽  
Materials Properties ◽  
Volumetric Expansion ◽  
Structure Property Relationships ◽  
Ring Opening Reaction ◽  
Measuring Techniques

Commonly, volumetric shrinkage occurs during polymerizations due to the shortening of the equilibrium Van der Waals distance of two molecules to the length of a (significantly shorter) covalent bond. This volumetric shrinkage can have severe influence on the materials’ properties. One strategy to overcome this volumetric shrinkage is the use of expanding monomers that show volumetric expansion during polymerization reactions. Such monomers exhibit cyclic or even oligocyclic structural motifs with a correspondingly dense atomic packing. During the ring-opening reaction of such monomers, linear structures with atomic packing of lower density are formed, which results in volumetric expansion or at least reduced volumetric shrinkage. This review provides a concise overview of expanding monomers with a focus on the elucidation of structure-property relationships. Preceded by a brief introduction of measuring techniques for the quantification of volumetric changes, the most prominent classes of expanding monomers will be presented and discussed, namely cycloalkanes and cycloalkenes, oxacycles, benzoxazines, as well as thiocyclic compounds. Spiroorthoesters, spiroorthocarbonates, cyclic carbonates, and benzoxazines are particularly highlighted.

Structure–Property Relationships in Photoluminescent Bismuth Halide Organic Hybrid Materials

2021 ◽  
Author(s):  
R. Lee Ayscue ◽  
Valérie Vallet ◽  
Jeffery A. Bertke ◽  
Florent Réal ◽  
Karah E. Knope
Keyword(s):  
Hybrid Materials ◽  
Structure Property ◽  
Organic Hybrid ◽  
Structure Property Relationships
Sign in / Sign up

Export Citation Format

Share Document