scholarly journals Polymeric hybrid nanocomposites processing and finite element modeling: An overview

2021 ◽  
Vol 104 (3) ◽  
pp. 003685042110294
Author(s):  
Suhas A Uthale ◽  
Nitin A Dhamal ◽  
Dattaji K Shinde ◽  
Ajit D Kelkar
Keyword(s):  
Modeling And Simulation ◽  
High Performance ◽  
Hybrid Nanocomposites ◽  
Woven Fabric ◽  
Key Factors ◽  
Simulation Techniques ◽  
Current State ◽  
Composite Models ◽  
Thermal And Electrical Properties ◽  
Nanoparticle Composites

Polymeric hybrid nanocomposites, due to improved mechanical, thermal, and electrical properties, are key factors in recent technologies. Because of anisotropic characteristics of polymeric hybrid nanocomposites, mechanical properties and their behavior are very difficult to predict. If they are fabricated with complicated woven fabric patterns, it becomes more difficult to predict. This review discusses in detail the properties and manufacturing methods of various fibers, focuses on different manufacturing, processing, and characterization techniques used for polymeric hybrid nanocomposites. Theoretical composite models and some recent advances in modeling and simulation techniques for polymer nanoparticle composites are discussed and thus this review can provide significant guidelines for the development of manufacturing, characterization, testing, modeling, and simulation techniques for high performance hybrid polymer nanocomposites as current state of art.

Pharmacokinetic Modeling in Nano-formulations: Concept, Implementation and Challenges

2019 ◽  
Vol 24 (43) ◽  
pp. 5175-5180 ◽  
Author(s):  
Jatinder Kaur Mukker ◽  
Ravi Shankar Prasad Singh
Keyword(s):  
Drug Delivery ◽  
Modeling And Simulation ◽  
Small Molecules ◽  
Pharmacokinetic Modeling ◽  
Simulation Techniques ◽  
Modeling Techniques

The properties of nanoparticles can be exploited to overcome challenges in drug delivery. By virtue of its design and size, the pharmacokinetics of nanoparticles are different than other small molecules. Modeling and simulation techniques have great potential to be used in nanoformulation development; however, their use in optimization of nanoformulation is very limited. This review highlights the differences in absorption, distribution, metabolism and excretion (ADME) characteristics of nanoparticles, use of modeling and simulation techniques in nanoformulation development and challenges in the implementation of modeling techniques.

scholarly journals Effect of Nanofiller Content on Dynamic Mechanical and Thermal Properties of Multi-Walled Carbon Nanotube and Montmorillonite Nanoclay Filler Hybrid Shape Memory Epoxy Composites

Polymers ◽  
2021 ◽  
Vol 13 (5) ◽  
pp. 700
Author(s):  
Muhamad Hasfanizam Mat Yazik ◽  
Mohamed Thariq Hameed Sultan ◽  
Mohammad Jawaid ◽  
Abd Rahim Abu Talib ◽  
Norkhairunnisa Mazlan ◽  
...  
Keyword(s):  
Shape Memory ◽  
High Performance ◽  
Loss Modulus ◽  
Decomposition Temperature ◽  
Hybrid Nanocomposites ◽  
Mechanical And Thermal Properties ◽  
Scanning Calorimetry ◽  
Hybrid Filler ◽  
Dynamic Mechanical ◽  
Tan Δ

The aim of the present study has been to evaluate the effect of hybridization of montmorillonite (MMT) and multi-walled carbon nanotubes (MWCNT) on the thermal and viscoelastic properties of shape memory epoxy polymer (SMEP) nanocomposites. In this study, ultra-sonication was utilized to disperse 1%, 3%, and 5% MMT in combination with 0.5%, 1%, and 1.5% MWCNT into the epoxy system. The fabricated SMEP hybrid nanocomposites were characterized via differential scanning calorimetry, dynamic mechanical analysis, and thermogravimetric analysis. The storage modulus (E’), loss modulus (E”), tan δ, decomposition temperature, and decomposition rate, varied upon the addition of the fillers. Tan δ indicated a reduction of glass transition temperature (Tg) for all the hybrid SMEP nanocomposites. 3% MMT/1% MWCNT displayed best overall performance compared to other hybrid filler concentrations and indicated a better mechanical property compared to neat SMEP. These findings open a way to develop novel high-performance composites for various potential applications, such as morphing structures and actuators, as well as biomedical devices.

New Class of Trimetallic Oxide Hierarchical Mesoporous Array on Woven Fabric: Electrode for high-Performance and Stable battery type Ultracapacitor

2021 ◽  
Vol 35 ◽  
pp. 102249
Author(s):  
S. Thakur ◽  
S. Maiti ◽  
K. Sardar ◽  
N. Besra ◽  
P. Bairi ◽  
...  
Keyword(s):  
High Performance ◽  
Woven Fabric ◽  
New Class

scholarly journals Opportunistic Network Algorithms for Internet Traffic Offloading in Music Festival Scenarios

Sensors ◽  
2021 ◽  
Vol 21 (10) ◽  
pp. 3315
Author(s):  
Aida-Ștefania Manole ◽  
Radu-Ioan Ciobanu ◽  
Ciprian Dobre ◽  
Raluca Purnichescu-Purtan
Keyword(s):  
High Performance ◽  
Geographical Area ◽  
Mobility Model ◽  
Routing Algorithms ◽  
Message Delivery ◽  
Opportunistic Network ◽  
Key Factors ◽  
Network Algorithms ◽  
Music Festival ◽  
Social Metrics

Constant Internet connectivity has become a necessity in our lives. Hence, music festival organizers allocate part of their budget for temporary Wi-Fi equipment in order to sustain the high network traffic generated in such a small geographical area, but this naturally leads to high costs that need to be decreased. Thus, in this paper, we propose a solution that can help offload some of that traffic to an opportunistic network created with the attendees’ smartphones, therefore minimizing the costs of the temporary network infrastructure. Using a music festival-based mobility model that we propose and analyze, we introduce two routing algorithms which can enable end-to-end message delivery between participants. The key factors for high performance are social metrics and limiting the number of message copies at any given time. We show that the proposed solutions are able to offer high delivery rates and low delivery delays for various scenarios at a music festival.

A Perspective on Modeling Materials in Extreme Environments: Oxidation of Ultrahigh-Temperature Ceramics

MRS Bulletin ◽  
2006 ◽  
Vol 31 (5) ◽  
pp. 410-418 ◽  
Author(s):  
Angelo Bongiorno ◽  
Clemens J. Först ◽  
Rajiv K. Kalia ◽  
Ju Li ◽  
Jochen Marschall ◽  
...  
Keyword(s):  
Modeling And Simulation ◽  
Atomistic Simulation ◽  
Extreme Environments ◽  
Protective Layer ◽  
Ceramic Composites ◽  
Atomistic Modeling ◽  
Temperature Oxidation ◽  
Simulation Techniques ◽  
Oxidation Resistant ◽  
Ultrahigh Temperature

AbstractThe broader context of this discussion, based on a workshop where materials technologists and computational scientists engaged in a dialogue, is an awareness that modeling and simulation techniques and computational capabilities may have matured sufficiently to provide heretofore unavailable insights into the complex microstructural evolution of materials in extreme environments.As an example, this article examines the study of ultrahigh-temperature oxidation-resistant ceramics, through the combination of atomistic simulation and selected experiments.We describe a strategy to investigate oxygen transport through a multi-oxide scale—the protective layer of ultrahigh-temperature ceramic composites ZrB2-SiC and HfB2-SiC—by combining first-principles and atomistic modeling and simulation with selected experiments.

scholarly journals A Comprehensive Review of Cholinesterase Modeling and Simulation

Biomolecules ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 580
Author(s):  
Danna De Boer ◽  
Nguyet Nguyen ◽  
Jia Mao ◽  
Jessica Moore ◽  
Eric J. Sorin
Keyword(s):  
Modeling And Simulation ◽  
Binding Site ◽  
Catalytic Efficiency ◽  
Site Location ◽  
Simulation Techniques ◽  
Therapeutic Value ◽  
Docking Calculations ◽  
Computer Based ◽  
Dynamics Simulations ◽  
And Function

The present article reviews published efforts to study acetylcholinesterase and butyrylcholinesterase structure and function using computer-based modeling and simulation techniques. Structures and models of both enzymes from various organisms, including rays, mice, and humans, are discussed to highlight key structural similarities in the active site gorges of the two enzymes, such as flexibility, binding site location, and function, as well as differences, such as gorge volume and binding site residue composition. Catalytic studies are also described, with an emphasis on the mechanism of acetylcholine hydrolysis by each enzyme and novel mutants that increase catalytic efficiency. The inhibitory activities of myriad compounds have been computationally assessed, primarily through Monte Carlo-based docking calculations and molecular dynamics simulations. Pharmaceutical compounds examined herein include FDA-approved therapeutics and their derivatives, as well as several other prescription drug derivatives. Cholinesterase interactions with both narcotics and organophosphate compounds are discussed, with the latter focusing primarily on molecular recognition studies of potential therapeutic value and on improving our understanding of the reactivation of cholinesterases that are bound to toxins. This review also explores the inhibitory properties of several other organic and biological moieties, as well as advancements in virtual screening methodologies with respect to these enzymes.

Granular Flow Modeling and Simulation Using a Dynamic Finite Element Method

2007 ◽  
Author(s):  
M. A. Kabir ◽  
C. Fred Higgs ◽  
Michael R. Lovell
Keyword(s):  
Finite Element ◽  
Modeling And Simulation ◽  
Granular Flow ◽  
Flow Behavior ◽  
Food Service ◽  
Complex Nature ◽  
Complex Flow ◽  
Dual Nature ◽  
Simulation Techniques ◽  
Flow Phenomena

Granular flow behavior is of fundamental interest to the engineering and scientific community because of the prevalence of these flows in the pharmaceutical, agricultural, food service, and powder manufacturing industries. Granular materials exhibit very complex behavior, oftentimes acting as solids and at other times as fluids. This dual nature leads to very complex and rich behavior, which is not yet well understood. Therefore, the present investigation introduces a new technique that can potentially be used to unveil the mystery of granular flow phenomena. To this end, advanced finite element modeling and simulation techniques have been applied to the study of the complex nature of granular flow. More specifically, the explicit dynamic code LS-DYNA has been utilized to gain an understanding of the complex flow nature and collision stresses of granules in a shear cell.

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