scholarly journals Properties of Poly(3-hydroxybutyrate-co-3-hydroxyvalerate)/Polycaprolactone Polymer Mixtures Reinforced by Cellulose Nanocrystals: Experimental and Simulation Studies

Polymers ◽  
2022 ◽  
Vol 14 (2) ◽  
pp. 340
Author(s):  
Marina I. Voronova ◽  
Darya L. Gurina ◽  
Oleg V. Surov
Keyword(s):  
Mechanical Properties ◽  
Cellulose Nanocrystals ◽  
Amphiphilic Polymers ◽  
Dynamics Simulation ◽  
Bet Surface Area ◽  
Polymer Mixture ◽  
Binary Solvent ◽  
Polymer Mixtures ◽  
Surface Areas ◽  
Higher Temperature

Poly(3-hydroxybutyrate-co-3-hydroxyvalerate)/polycaprolactone (PHBV/PCL) polymer mixtures reinforced by cellulose nanocrystals (CNCs) have been obtained. To improve the CNC compatibility with the hydrophobic PHBV/PCL matrix, the CNC surface was modified by amphiphilic polymers, i.e., polyvinylpyrrolidone (PVP) and polyacrylamide (PAM). The polymer composites were characterized by FTIR, DSC, TG, XRD, microscopy, BET surface area, and tensile testing. The morphological, sorption, thermal, and mechanical properties of the obtained composites have been studied. It was found out that with an increase in the CNC content in the composites, the porosity of the films increased, which was reflected in an increase in their specific surface areas and water sorption. An analysis of the IR spectra confirms that hydrogen bonds can be formed between the CNC hydroxyl- and the –CO– groups of PCL and PHBV. The thermal decomposition of CNC in the PHBV/PCL/CNC composites starts at a much higher temperature than the decomposition of pure CNC. It was revealed that CNCs can either induce crystallization and the polymer crystallite growth or act as a compatibilizer of a mixture of the polymers causing their amorphization. The CNC addition significantly reduces the elongation and strength of the composites, but changes Young’s modulus insignificantly, i.e., the mechanical properties of the composites are retained under conditions of small linear deformations. A molecular-dynamics simulation of several systems, starting from simplest binary (solvent-polymer) and finishing with multi-component (CNC—polymer mixture—solvent) systems, has been made. It is concluded that the surface modification of CNCs with amphiphilic polymers makes it possible to obtain the CNC composites with hydrophobic polymer matrices.

scholarly journals Molecular Dynamics Simulation on Creep Mechanism of Nanocrystalline Cu-Ni Alloy

2021 ◽  
Vol 18 (1) ◽  
pp. 67
Author(s):  
Kasum Kasum ◽  
Fajar Mulyana ◽  
Mohamad Zaenudin ◽  
Adhes Gamayel ◽  
M. N. Mohammed
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
High Pressure ◽  
Molecular Dynamics Simulation ◽  
Creep Mechanism ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Ni Alloy ◽  
Higher Temperature ◽  
Temperature And Pressure

Creep mechanism is an essential mechanism for material when subjected to a high temperature and high pressure. It shows material ability during an extreme application to maintain its structure and properties, especially high pressure and temperature. This test is already done experimentally in many materials such as metallic alloys, various stainless steel, and composites. However, understanding the creep mechanism at the atomic level is challenging due to the instruments  limitation. Still, the improvement of mechanical properties is expected can be done in such a group. In this work, the creep mechanism of the nanocrystalline Cu-Ni alloy is demonstrated in terms of molecular dynamics simulation. The result shows a significant impact on both temperature and pressure. The deformation supports the mechanisms as a result of the grain boundary diffusion. Quantitative analysis shows a more substantial difference in creep-rate at a higher temperature and pressure parameters. This study has successfully demonstrated the mechanism of creep at the atomic scale and may be used for improving the mechanical properties of the material.

Specific volume and features of compressibility during the molding of powder-polymer mixtures with wax-polypropylene binder

2019 ◽  
pp. 25-33
Author(s):  
Alexander Muranov ◽  
Alexey Semenov ◽  
Anatoly Kutsbakh ◽  
Boris Semenov
Keyword(s):  
Phase Transition ◽  
Comparative Analysis ◽  
Powder Metallurgy ◽  
Injection Molding ◽  
Polymer Binder ◽  
Polymer Mixture ◽  
Powder Injection ◽  
Polymer Mixtures ◽  
Pvt Data ◽  
Mathematical Processing

The article discusses one of the modern areas of powder metallurgy – the technology of manufacturing shaped parts by the powder injection molding (PIM). For the powder-polymer mixture (feedstock) with a wax-polypropylene binder of the solvent-thermal type of removal by isobaric volume dilatometry, the dependence of PVT state parameters was studied. For each component of the polymer binder, the dependence of pressure on the temperature of phase transition was obtained. As a result of mathematical processing and analysis of PVT data for the feedstock of the studied type, a technological window of parameters has been determined that allows injection molding of «green parts» with minimal volume shrinkage. The results of a comparative analysis of the compaction of feedstock with a polymer binder catalytic and solution-thermal type of removal are presented.

850.0 and 852.0 ALUMINUM ALLOY BEARING BARS

Alloy Digest ◽  
1988 ◽  
Vol 37 (9) ◽  
Keyword(s):  
Mechanical Properties ◽  
Thermal Conductivity ◽  
Corrosion Resistance ◽  
Aluminum Alloy ◽  
Heat Treating ◽  
Light Metal ◽  
General Purpose ◽  
High Ductility ◽  
Higher Temperature ◽  
Bearing Alloy

Abstract 850.0 ALUMINUM Alloy can be considered the general purpose light metal bearing alloy. Its good thermal conductivity keeps operating temperatures low. It has high ductility. In many applications it has been found to be superior to steel backed bearings. 852.0 ALUMINUM Alloy has higher mechanical properties making it suitable for heavier load and higher temperature applications. This datasheet provides information on composition, physical properties, hardness, elasticity, tensile properties, and shear strength. It also includes information on corrosion resistance as well as heat treating and machining. Filing Code: Al-290. Producer or source: Federated Bronze Products Inc..

Cellulose Nanofibrils-based Hydrogels for Biomedical Applications: Progresses and Challenges

2020 ◽  
Vol 27 (28) ◽  
pp. 4622-4646 ◽  
Author(s):  
Huayu Liu ◽  
Kun Liu ◽  
Xiao Han ◽  
Hongxiang Xie ◽  
Chuanling Si ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Metal Ion ◽  
Biomedical Applications ◽  
Biomedical Application ◽  
Cellulose Nanofibrils ◽  
Wound Dressings ◽  
Preparation Methods ◽  
Tissue Scaffold ◽  
Surface Areas ◽  
Mechanical Methods

Background: Cellulose Nanofibrils (CNFs) are natural nanomaterials with nanometer dimensions. Compared with ordinary cellulose, CNFs own good mechanical properties, large specific surface areas, high Young's modulus, strong hydrophilicity and other distinguishing characteristics, which make them widely used in many fields. This review aims to introduce the preparation of CNFs-based hydrogels and their recent biomedical application advances. Methods: By searching the recent literatures, we have summarized the preparation methods of CNFs, including mechanical methods and chemical mechanical methods, and also introduced the fabrication methods of CNFs-based hydrogels, including CNFs cross-linked with metal ion and with polymers. In addition, we have summarized the biomedical applications of CNFs-based hydrogels, including scaffold materials and wound dressings. Results: CNFs-based hydrogels are new types of materials that are non-toxic and display a certain mechanical strength. In the tissue scaffold application, they can provide a micro-environment for the damaged tissue to repair and regenerate it. In wound dressing applications, it can fit the wound surface and protect the wound from the external environment, thereby effectively promoting the healing of skin tissue. Conclusion: By summarizing the preparation and application of CNFs-based hydrogels, we have analyzed and forecasted their development trends. At present, the research of CNFs-based hydrogels is still in the laboratory stage. It needs further exploration to be applied in practice. The development of medical hydrogels with high mechanical properties and biocompatibility still poses significant challenges.

Effect of modification of binary solvent molecules on ε-CL-20 crystal morphology: a molecular dynamics study

CrystEngComm ◽  
2021 ◽  
Author(s):  
Yanpeng Zhao ◽  
Guanwen Su ◽  
Guozhao Liu ◽  
Hongyuan Wei ◽  
Leping Dang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystal Morphology ◽  
Dynamics Simulation ◽  
Binary Solvent ◽  
Binary Solvent Systems ◽  
Solvent Systems ◽  
Solvent Molecules

The effects of thirteen binary solvent systems on the growth of CL-20 were studied by molecular dynamics simulation, and the effect of antisolvent properties on the solvent inhibition was systematically investigated.

Determination of mechanical properties of two-phase and hybrid nanocomposites: experimental determination and multiscale modeling

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Mahmoud Haghighi ◽  
Hossein Golestanian ◽  
Farshid Aghadavoudi
Keyword(s):  
Mechanical Properties ◽  
Ultimate Strength ◽  
Multiscale Modeling ◽  
Filler Content ◽  
Hybrid Nanocomposites ◽  
Dynamics Simulation ◽  
Strength Increase ◽  
Two Phase ◽  
Macro Scale ◽  
Elongation To Failure

Abstract In this paper, the effects of filler content and the use of hybrid nanofillers on agglomeration and nanocomposite mechanical properties such as elastic moduli, ultimate strength and elongation to failure are investigated experimentally. In addition, thermoset epoxy-based two-phase and hybrid nanocomposites are simulated using multiscale modeling techniques. First, molecular dynamics simulation is carried out at nanoscale considering the interphase. Next, finite element method and micromechanical modeling are used for micro and macro scale modeling of nanocomposites. Nanocomposite samples containing carbon nanotubes, graphene nanoplatelets, and hybrid nanofillers with different filler contents are prepared and are tested. Also, field emission scanning electron microscopy is used to take micrographs from samples’ fracture surfaces. The results indicate that in two-phase nanocomposites, elastic modulus and ultimate strength increase while nanocomposite elongation to failure decreases with reinforcement weight fraction. In addition, nanofiller agglomeration occurred at high nanofiller contents especially higher than 0.75 wt% in the two-phase nanocomposites. Nanofiller agglomeration was observed to be much lower in the hybrid nanocomposite samples. Therefore, using hybrid nanofillers delays/prevents agglomeration and improves mechanical properties of nanocomposite at the same total filler content.

A facile method to fabricate monolithic alumina–silica aerogels with high surface areas and good mechanical properties

2020 ◽  
Vol 40 (6) ◽  
pp. 2480-2488 ◽  
Author(s):  
Fei Peng ◽  
Yonggang Jiang ◽  
Junzong Feng ◽  
Liangjun Li ◽  
Huafei Cai ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
High Surface ◽  
Silica Aerogels ◽  
Surface Areas ◽  
Monolithic Alumina

Molecular Dynamics Simulation of Crack Initiation of Aluminum under Tensile Deformation

2011 ◽  
Vol 378-379 ◽  
pp. 7-10
Author(s):  
Gui Xue Bian ◽  
Yue Liang Chen ◽  
Jian Jun Hu ◽  
Li Xu
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Elastic Constants ◽  
Tensile Deformation ◽  
Crack Nucleation ◽  
Tensile Load ◽  
Dynamics Simulation ◽  
Metal Aluminum ◽  
Impurity Metal

Molecular dynamics simulation was used to simulate the tension process of purity and containing impurity metal aluminum. Elastic constants of purity and containing impurity metal aluminum were calculated, and the effects of impurity on the elastic constants were also studied. The results show that O-Al bond and Al-Al bond near oxygen atoms could be the sites of crack nucleation or growth under tensile load, the method can be extended to research mechanical properties of other metals and alloys structures.

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