Article
Chemistry, Multidisciplinary
Yeran Lee, Juhyung Park, Jaehoon Son, Han Young Woo, Eonghun Kwak
Summary: This study demonstrates an ideal α-σ relationship in two degenerately doped semi-crystalline polymers using a sequential doping method, allowing the power factors to reach theoretical maxima and exhibiting metallic behavior in heavily doped films. The results show that the power factor maxima appear when the doping state switches from non-degenerate to degenerate, indicating the importance of an optimal α-σ relationship in enhancing TE performance and understanding charge transport in doped polymers.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Polymer Science
Massimo Marcioni, Jenny Alongi, Elisabetta Ranucci, Mario Malinconico, Paola Laurienzo, Paolo Ferruti, Amedea Manfredi
Summary: This paper discusses the synthesis and characterization of semi-crystalline hydrophobic PAAs, which have good solubility, thermal properties, water resistance, overall stability, and fire resistance.
Review
Polymer Science
Dries Vaes, Peter Van Puyvelde
Summary: This review focuses on the processing characteristics and factors affecting semi-crystalline polymers in Fused Filament Fabrication (FFF), highlighting the impact of processing conditions, feedstock modifications, and microstructure on mechanical performance and part quality. Specific phenomena during the printing process are discussed, along with a critical outlook on future research challenges when using semi-crystalline polymers as FFF feedstock.
PROGRESS IN POLYMER SCIENCE
(2021)
Article
Engineering, Chemical
Robin Vacher, Astrid S. de Wijn
Summary: Using molecular dynamics simulations, we investigated the viscoelastic response and deformation mechanisms of a semi-crystalline polymer during sliding, finding temperature-dependent contributions of plastic and elastic behaviors. Under a sliding contact asperity, the polymer tends to form layered structures and align co-axially, leading to plastic deformation accumulation, friction reduction, and alignment of polymers in the top layer in the sliding direction over time.
Article
Materials Science, Multidisciplinary
Baptiste Bienvenu, Emmanuel Clouet
Summary: In this study, slip activity in body-centered cubic chromium was modeled by calculating the core properties and Peierls potential of screw dislocations using ab initio methods. It was found that screw dislocations with different Burgers vectors have different activation capabilities in various crystal orientations, and a broad range of crystal orientations was identified.
Review
Polymer Science
Foram Dave, Muhammad Mahmood Ali, Richard Sherlock, Asokan Kandasami, David Tormey
Summary: This review provides an overview of the current status and future perspectives of laser transmission welding (LTW) of semi-crystalline (SC) polymers, focusing on parameters and phenomena such as inter-diffusion and microstructural changes. It discusses the impact of carbon black and nucleating agent on weld strength, as well as the critical laser parameters of power, scanning speed, and clamping pressure. It also highlights innovative ideas and essential characterisation techniques for polymer joining applications in Industry 4.0 smart manufacturing.
Article
Polymer Science
Cuong Minh Quoc Le, Gautier Schrodj, Ibrahima Ndao, Brahim Bessif, Barbara Heck, Thomas Pfohl, Guenter Reiter, Justine Elgoyhen, Radmila Tomovska, Abraham Chemtob
Summary: The photocatalytic thiol-ene aqueous emulsion polymerization under visible-light is a novel method to prepare linear semicrystalline latexes with specific properties. The reaction conditions are mild, the reaction time is short, and the resulting products exhibit a unique structure and characteristics.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Polymer Science
Mengmeng Li, Pieter J. Leenaers, Junyu Li, Martijn M. Wienk, Rene A. J. Janssen
Summary: Few semiconducting polymers are known to possess more than one semi-crystalline structure, and guidelines for rationalizing or creating polymorphism in these materials do not exist. Two different semi-crystalline polymorphs have been identified recently, and it has been found that more solvents can induce the formation of distinct semi-crystalline polymorphs.
JOURNAL OF POLYMER SCIENCE
(2021)
Review
Thermodynamics
Omar Atiq, Eleonora Ricci, Marco Giacinti Baschetti, Maria Grazia De Angelis
Summary: This study provides an overview and comparative discussion of existing models for predicting the solubility of gases and vapors in semi-crystalline polymers. The presence of impermeable crystalline domains is found to reduce the sorption capacity of the amorphous network. Three different modeling categories are distinguished, and their theoretical foundations and relative results are presented and discussed. Prospective work guidelines for improving modeling strategies are also provided.
FLUID PHASE EQUILIBRIA
(2022)
Article
Mechanics
Ruyue Song, Michael Berer, Anastasia Muliana
Summary: This study investigates the mechanical responses of three semi-crystalline POM polymers under different loading conditions, observing permanent deformations and hysteretic responses even at low strain levels. The microstructural changes in the polymers are attributed to these mechanical loadings, with tensile and compressive loadings leading to different changes and elevated temperatures accelerating them. The POM polymers also exhibit pronounced viscoelastic responses. A mathematical model based on a multi-network approach is proposed to describe their macroscopic thermo-mechanical response, incorporating the net effect of microstructural changes.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2022)
Article
Mechanics
Martin Kroon, M. B. Rubin
Summary: A constitutive model for isotropic, semi-crystalline polymers, independent of measures of total deformation and plastic/inelastic deformations, is proposed. The model is capable of accounting for strain-rate dependence, work hardening, stress relaxation, volumetric inelastic deformations, and damage. The model was successfully applied to polyoxymethylene (POM) uniaxial tension tests and implemented in a 3D geometry simulation using Abaqus.
EUROPEAN JOURNAL OF MECHANICS A-SOLIDS
(2023)
Article
Pharmacology & Pharmacy
Ali Mansuri, Milan Voelkel, Dilshan Mihiranga, Tim Feuerbach, Judith Winck, Arnoldus W. P. Vermeer, Werner Hoheisel, Markus Thommes
Summary: This study presents a simple and time-saving method for predicting the self-diffusion coefficient of active ingredients in polymeric solid dispersions. The predictive model based on modified versions of Vrentas' and Duda's free volume theory covers a wide temperature range and compositional range in binary mixtures. The results highlight the importance of kinetic fragility on molecular migration and offer insights into the influence of material properties on translational mobility.
EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS
(2023)
Article
Mathematics, Applied
Paolo Maria Mariano, Domenico Mucci
Summary: This study explains material slips at a microscopic scale using deformation mappings as SBV functions. It examines the existence of energy minimizers and avoids self-penetration of matter through a decomposition of elastic and plastic factors. The study also presents a representation of the slip system in terms of currents with different multiplicity choices.
ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS
(2023)
Article
Materials Science, Composites
Eduardo Barocio, Bastian Brenken, Anthony Favaloro, R. Byron Pipes
Summary: This study focuses on the evolution of interlayer fracture toughness properties in fiber-reinforced, semi-crystalline polymers during the additive manufacturing process. A phenomenological model is developed and experiments are conducted to predict the relationship between thermal history and critical strain energy release rate.
COMPOSITES SCIENCE AND TECHNOLOGY
(2022)
Article
Polymer Science
Joseph A. Sarver, Jenna L. Sumey, Richard M. Whitfield, Erdogan Kiran
Summary: Confined foaming leads to smaller and more uniformly distributed pores, but the bulk foam densities are higher compared to free-foaming. Surface characteristics and skin layer formation of the foams are altered under confinement conditions.
JOURNAL OF APPLIED POLYMER SCIENCE
(2021)
Article
Mathematics, Interdisciplinary Applications
Mohamed M. A. Zikry
Summary: A multiphase microstructural system consisting of two types of hydrides was modeled, with the effects of different factors such as hydride volume fraction, morphology, orientation, and distribution on overall behavior investigated. Predictions show that a distribution of circumferential hydrides has higher strength and ductility, and zircaloy epsilon (bcc) hydride systems exhibit more ductility and strength compared to zircaloy delta (fcc) systems.
COMPUTATIONAL MECHANICS
(2021)
Correction
Mathematics, Interdisciplinary Applications
I. Mohamed, M. A. Zikry
COMPUTATIONAL MECHANICS
(2021)
Editorial Material
Engineering, Mechanical
David Field, Hamid Garmestani, Tariq Khraishi, Mohammed Zikry
JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME
(2022)
Article
Engineering, Mechanical
I. Mohamed, T. Hasan, M. A. Zikry
Summary: A crystalline dislocation-density formulation combined with a nonlinear finite-element method was used to study the thermomechanical behavior and fracture modes of h.c.p. zircaloy with f.c.c. or b.c.c. hydrides. The study shows that at high temperatures, thermal softening of hydrides leads to increased ductility and inhibits crack nucleation and growth. The results provide insights into the fracture resistance of circumferential hydrides compared to radial hydrides under different volume fractions and loading conditions.
JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME
(2022)
Article
Geochemistry & Geophysics
Mohamed H. Elbadry, Josh Wetherington, Mohammed A. Zikry
Summary: A frequency-based finite element framework has been developed to predict and understand the response of an electromagnetic induction sensor to buried targets. The framework was verified with an analytical model and used to predict electromagnetic response due to interrelated stimuli and properties. It was found that the sensor was not sensitive to small variations in stand-off height and lateral positions, indicating critical distances related to the EM response of buried objects.
IEEE TRANSACTIONS ON GEOSCIENCE AND REMOTE SENSING
(2022)
Article
Chemistry, Multidisciplinary
Md Didarul Islam, Himendra Perera, Benjamin Black, Matthew Phillips, Muh-Jang Chen, Greyson Hodges, Allyce Jackman, Yuxuan Liu, Chang-Jin Kim, Mohammed Zikry, Saad Khan, Yong Zhu, Mark Pankow, Jong Eun Ryu
Summary: This study demonstrates a simple and scalable manufacturing technique to fabricate periodic microstructures by controlling ribbing defects in the coating process. The periodic microstructures exhibit hydrophobicity and can be utilized to improve boat speed as well as enhance mechanical and electrical properties.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Materials Science, Multidisciplinary
Leah Granger, Muh-Jang Chen, Donald Brenner, Mohammed Zikry
Summary: Atomistic molecular dynamics and microstructural dislocation density-based crystalline plasticity framework were used to simulate the behavior of a copper-nickel interface under high strain rates. Both methods showed similar qualitative behavior, indicating that the nanoscale behavior can represent microstructural behavior.
Article
Nanoscience & Nanotechnology
Muh-Jang Chen, Dongyue Xie, Nan Li, Mohammed A. Zikry
Summary: A dislocation-density crystalline plasticity (DCP) framework was used to study the behavior of Cu/Pb bicrystals with a focus on grain boundary (GB) effects. The model predictions were validated with bicrystal compression micropillar experiments. The key aspect of the modeling approach is the consideration of partial dislocation densities and a GB formulation linked to GB energies.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Multidisciplinary Sciences
Tamir Hasan, Laurent Capolungo, Mohammed A. A. Zikry
Summary: Zirconium alloys are widely used in harsh environments due to their high temperature, corrosivity, and radiation exposure. However, these alloys degrade when exposed to severe conditions, primarily due to hydride formation. This study focuses on characterizing the microstructural features of these alloys to accurately predict critical fracture stress levels and model their behavior under applied strains.
SCIENTIFIC REPORTS
(2023)
Article
Materials Science, Multidisciplinary
Tamir Hasan, Laurent Capolungo, Mohammed Zikry
Summary: Hydride precipitation in zirconium alloys affects their ductility and fracture behavior. The complex distribution of hydrides and their interaction with defects, such as dislocations, play a significant role in crack nucleation and failure. Deterministic fracture modeling coupled with dislocation-density based crystalline plasticity approach was used to predict failure. Machine learning analysis based on Extreme Value Theory (EVT) and a Bayesian based Gaussian Process Regression (GPR) was employed to predict fracture probability. Surrogate reduced order models (ROM) were also used for predicting failure likelihood, providing a multi-scale machine learning framework for failure prediction.
NPJ MATERIALS DEGRADATION
(2023)
Article
Materials Science, Multidisciplinary
Matthew Phillips, Muh-Jang Chen, Md Didarul Islam, Jong Ryu, Mohammed Zikry
Summary: The manufacturing of thin films with structured surfaces by large-scale rolling has advantages over other techniques, but understanding the effects of processing conditions on microstructure is lacking. This study develops a computational model to predict and control the morphology of CNT-PDMS thin films. The effects of rheological properties and roller gap on ribbing behavior are investigated, and a ribbing instability prediction model is formulated. The system is modeled using a nonlinear dynamic finite element method.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Attilio Arcari, Derek Horton, Muh-Jang Chen, Mohammed A. Zikry
Summary: The grain and precipitate morphologies, orientations, and distributions in precipitation hardened nickel alloy 718 are influenced by material processing, thermal and mechanical history, and optimized for its thermo-mechanical behavior. A computational approach was used to investigate the microstructural mechanisms and defects, such as dislocation-densities, in an experimentally characterized specification of 718 alloy. The interactions of dislocation densities and the material microstructure affect the mechanical behavior of the alloy.
JOURNAL OF MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Dongyue Xie, Muh-Jang Chen, Jonathan Gigax, Darby Luscher, Jian Wang, Abigail Hunter, Saryu Fensin, Mohammed Zikry, Nan Li
Summary: The strain hardening behavior of FCC metals under mechanical loading plays a critical role in determining fracture behavior and mechanical performance. This study used Cu single-crystal micropillars as a model system to investigate the relationship between strain hardening and defect behavior. Experimental techniques such as SEM, EBSD, TEM, and TKD were employed to identify slip systems, dislocation structures, and lattice rotations. The DCP model was developed to understand the relationship between serration events and dislocation density evolution, which was validated with micropillar experiments. This integrated experimental and modeling investigation provides insights into dislocation evolution and lattice rotations.
MECHANICS OF MATERIALS
(2023)
Article
Engineering, Manufacturing
Md Didarul Islam, Himendra Perera, Sekkappan Chockalingam, Matthew Phillips, Muh-Jang Chen, Yuxuan Liu, Saad Khan, Yong Zhu, Mohammed Zikry, Jong Eun Ryu
Summary: This study presents a manufacturing technique for linear periodic microstructures and highlights their significance in various applications. The controlled ribbing defects in forward roll coating allow the fabrication of tailored microstructures, and the resulting surfaces have potential applications in drag reduction, superhydrophobicity, self-cleaning, and anti-biofouling surfaces.
MANUFACTURING LETTERS
(2022)
Article
Engineering, Multidisciplinary
Mohamed Elbadry, J. Wetherington, M. A. Zikry
Summary: A time domain finite element framework was used to study the coupling of electromagnetic and mechanical behavior in buried target systems. The study found that target permeability and depth have the most significant and dominant effects on the system behavior.
APPLICATIONS IN ENGINEERING SCIENCE
(2022)
Article
Polymer Science
Yuanzhang Jiang, Xuyi Wang, Yanting Han, Dakai Gong, Yingchun Gu, Lin Tan
Summary: In this study, FeCl3 and poly(acrylic acid) (PAA) were doped into waterborne polyurethanes (WPUs) to create multifunctional materials with self-healing and antimicrobial properties. WPU/Fe/PAA-5.5, containing 5.5 wt % PAA, exhibited excellent mechanical properties, strong self-healing capabilities, and an impressive antimicrobial rate of over 90%. These supramolecular films were also highly recyclable through hot-pressing.
Article
Polymer Science
Longyu Tian, Min Wang, Guangming Liao, Baoliang Liu, Sujuan Zhang, Yucheng Sun, Zhen Meng, Jintao Zhang, Zaijun Lu
Summary: Two kinds of benzoxazine monomers were synthesized and used to prepare polybenzoxazine anion exchange membranes (AEMs) with quaternary ammonium functionalization. The LQPBZ AEM exhibited better ion conductivity and alkaline stability.
Article
Polymer Science
Claire A. Lemarchand
Summary: This study investigates the shock behavior of three different polymers through molecular dynamics simulations. The results reveal specificities in the shock behavior of polymers, including deviations from the linear relation between shock velocity and particle velocity, as well as differences in shear stress relaxation behind the shock front. It is found that the deviation of the Hugoniot locus is related to the change in the relative contribution of bonding and non-bonding potential energies, while polymers with higher glass transition temperatures exhibit slower shear stress relaxation.
Article
Polymer Science
Zengquan Liu, Xiaochun Yin, He Zhang, Shuo Gao, Qinglin Kuang, Yanhong Feng
Summary: A powder solid-state extension (PSSE) technology was proposed to address the high melt viscosity issue of UHMWPE. By uniaxial extension and sintering in the solid state, a highly self-reinforced material was prepared. X-ray diffraction and scattering techniques were used to study the structural evolution during the PSSE process, and a solid-phase induced transformation model was established.
Article
Polymer Science
Zhike Li, Anyu Luo, Rui Zhou, Xin Li, Haiyan Li
Summary: A novel high temperature resistance IL@SiO2 nanocapsules were successfully prepared and their friction and wear properties in PA6 composites were studied. The addition of IL@SiO2 nanocapsules reduced the friction coefficient and wear rate without affecting the mechanical properties of PA6. The synergy between the IL core and SiO2 wall in the nanocapsules improved the self-lubricating performance of the PA6 composites.
Article
Polymer Science
Xin Liu, Xuhong Guo, Qi Liao
Summary: In this study, an algorithm for accurately estimating viscosity is developed using molecular dynamics simulations and the Green-Kubo formula. This algorithm can be applied to complex systems with long correlations, such as macromolecular and biological simulation systems.
Article
Polymer Science
Hao Pu, Yun-Lei Hou, Jing -Zhou Chen, Dong -Lin Zhao
Summary: The use of modified graphene improves the interfacial adherence of carbon fibers to epoxy resin, resulting in enhanced interfacial and bending properties of CF and matrix in CF/EP composites, as well as increased interlaminar shear strength and flexural strength.
Article
Polymer Science
Wei-Chung Ke, Jin-Wei Lin, Manohar Reddy Busireddy, Yueh-Hsing Lee, Jiun-Tai Chen, Chain-Shu Hsu
Summary: This study introduces a crosslinkable monomer, TAIC, to synthesize three crosslinked polyimide films, which exhibit improved thermal, mechanical, and dielectric properties. The introduction of TAIC enhances the tensile strength, reduces the dielectric constant and dielectric loss, and decreases the coefficient of thermal expansion of the polyimide films.
Article
Polymer Science
Alex Kwasi Kumi, Ruiling Fan, Ye Chen, Yumei Zhang
Summary: The difference in leaching of amylopectin from cellulose/amylopectin/1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) blends during regeneration in water and aqueous ethanol has been studied. Molecular dynamics simulations showed that the dissolution and regeneration mechanisms of amylopectin in [Bmim][Cl] are similar to cellulose in ionic liquids. Water regeneration leads to weak electrostatic interactions, resulting in high leaching of amylopectin. In contrast, ethanol-water interactions enhance electrostatic interactions among amylopectin chains, limiting amylopectin leaching in aqueous ethanol.
Article
Polymer Science
Xi Zeng, Junwei Zhou, Junbiao Peng, Chunsheng Zhang, Danling Wang, Yihu Song, Qiang Zheng
Summary: This study utilizes an oligomer deep eutectic solvent (DES) based on polyethylene glycol to regulate the vulcanization kinetics of rubber. The results show that the DES can accelerate vulcanization at low temperatures without affecting the crosslinking density and Mullins effect.
Article
Polymer Science
Qianqian Yue, Yongfei Peng, Xingjian Liu, Aihua He, Huarong Nie
Summary: The addition of metal deactivators can effectively suppress the aging of TBIR, prolong its lifespan, and have no negative effects on its physical and processing properties. These research findings are of great importance for improving the stability and aging resistance of polymers.
Article
Polymer Science
J. Gomez-Caturla, J. Ivorra-Martinez, R. Tejada-Oliveros, V Moreno, D. Garcia-Garcia, R. Balart
Summary: This work focuses on the development of environmentally friendly PLA formulations by using different esters derived from geraniol as plasticizers. The results show that these esters have good compatibility with PLA, and they can effectively enhance the elongation and plasticity of PLA, reduce its glass transition temperature, and slightly improve its water absorption capabilities.
Article
Polymer Science
Dandan Li, Zhaohui Lu, Zhao Ke, Ke Xu, Fengna Dai, Youhai Yu, Guangtao Qian, Chunhai Chen
Summary: In this study, cross-linked PI aerogel membranes with low dielectric constant and high moisture resistance were prepared by co-polymerization and scraping coating technology. The incorporation of fluorinated blocks and benzimidazole ring structures resulted in novel PI aerogel membranes with fascinating dielectric properties and outstanding moisture resistance.
Article
Polymer Science
Zhaoyang Chu, Qing Zhang, Haihua Luo, Han Zhou, Fapei Zhang, Wei Chen, Wenhua Zhang
Summary: Multi-physical fields solution processing strategy is a universal and facile method for preparing various conjugated polymer films and high-performance devices. In this study, we employed a combined microfluidic flow and ultrasonication strategy (FU) for processing CP solutions, and found a pronounced synergetic effect in promoting the pre-ordering of chains in solution. The conformation order and anisotropy of the solution were revealed through various characterizations. A non-classical nucleation model for polymer crystallization in non-equilibrium solution processing was confirmed. The roles of microfluidic flow and ultrasonication in chain aggregation and crystallization were addressed through multi-physical simulations. Compared to pristine solutions, the FU strategy showed improved solution anisotropy and crystallization kinetics, resulting in higher crystallinity in films and increased mobilities in OFET devices. The FU processing strategy provides a universal approach for regulating chain conformation and aggregation in conjugated polymer solutions.
