Mechanical Behavior of the Lamellar Structure in Semi-Crystalline Polymers

2012 ◽  
Vol 730-732 ◽  
pp. 1006-1011
Author(s):  
Ricardo Simões ◽  
Júlio C. Viana ◽  
Gustavo R. Dias ◽  
António M. Cunha
Keyword(s):  
Computer Simulations ◽  
Lamellar Structure ◽  
Mechanical Response ◽  
Tensile Load ◽  
Polymeric Materials ◽  
Amorphous Region ◽  
Uniaxial Tensile ◽  
Material Response ◽  
Crystalline Polymers ◽  
Lamella Thickness

We have employed molecular dynamics simulations to study the behavior of virtual polymeric materials under an applied uniaxial tensile load. Through computer simulations, one can obtain experimentally inaccessible information about phenomena taking place at the molecular and microscopic levels. Not only can the global material response be monitored and characterized along time, but the response of macromolecular chains can be followed independently if desired. The computer-generated materials were created by emulating the step-wise polymerization, resulting in self-avoiding chains in 3D with controlled degree of orientation along a certain axis. These materials represent a simplified model of the lamellar structure of semi-crystalline polymers, being comprised of an amorphous region surrounded by two crystalline lamellar regions. For the simulations, a series of materials were created, varying i) the lamella thickness, ii) the amorphous region thickness, iii) the preferential chain orientation, and iv) the degree of packing of the amorphous region. Simulation results indicate that the lamella thickness has the strongest influence on the mechanical properties of the lamella-amorphous structure, which is in agreement with experimental data. The other morphological parameters also affect the mechanical response, but to a smaller degree. This research follows previous simulation work on the crack formation and propagation phenomena, deformation mechanisms at the nanoscale, and the influence of the loading conditions on the material response. Computer simulations can improve the fundamental understanding about the phenomena responsible for the behavior of polymeric materials, and will eventually lead to the design of knowledge-based materials with improved properties.

Influence of the Interaction Potential Parameters on the Mechanical Response of Simulated Semi-Crystalline Polymeric Materials

2006 ◽  
Vol 514-516 ◽  
pp. 810-814 ◽  
Author(s):  
Ricardo Simões ◽  
Júlio C. Viana ◽  
Gustavo R. Dias ◽  
António M. Cunha
Keyword(s):  
Interaction Potential ◽  
Lamellar Structure ◽  
Mechanical Response ◽  
Tensile Deformation ◽  
Polymeric Materials ◽  
Amorphous Region ◽  
Apparent Modulus ◽  
Secondary Bonds ◽  
Secondary Bond ◽  
Potential Parameters

The tensile deformation of a semi-crystalline lamellar structure was simulated using coarse-grain molecular dynamics. Interactions between statistical segments are described by Lennard-Jones potentials, with two types of interactions (primary and secondary bonds) defined for the amorphous and crystalline phases. The choice of the correct interaction potentials in coarsegrain simulations requires an understanding of the influence of each interaction potential parameter on the mechanical response. The present paper reports results from that study, following a design of experiments approach. It was found that the apparent modulus is mainly determined by the width of the secondary bond potential. The yield stress and the extent of deformation of the material at a fixed force level are influenced both by the width of the secondary bond potential and the depth of the potential well of the amorphous region. Thus, the tensile mechanical properties and behaviour of the specific lamellar structure under study seems to be mainly determined by the secondary interactions in the amorphous region.

Deformation of the lamellar structure in semi-crystalline polymers studied by computer simulations

e-Polymers ◽  
2004 ◽  
Vol 4 (1) ◽  
Author(s):  
Júlio C. Viana ◽  
Carlos J. Ribeiro ◽  
Gustavo R. Dias
Keyword(s):  
Computer Simulations ◽  
Mechanical Behaviour ◽  
Lamellar Structure ◽  
Mechanical Response ◽  
Amorphous Material ◽  
Crystalline Polymer ◽  
Minor Role ◽  
Element Analysis ◽  
Crystalline Polymers ◽  
Tension And Compression

Abstract Yield in a semi-crystalline polymer involves the disruption of the crystalline phase in an irreversible deformation process. In a semi-crystalline polymer, the crystalline lamellar regions are bridged together by inter-lamellar amorphous layers, which act as a loading transfer medium. The deformation of both phases is, therefore, to some extent inter-related. In this work we adopted a continuous mechanic approach (neglecting atomic/molecular interactions) of the lamellar deformation of semi-crystalline polymers in the sense that we simulated the mechanical response of a lamellar structure (two lamellae interconnected by amorphous regions) in a finite element analysis. The use of computer simulations allows studying independently the effect of each relevant morphological parameter on the mechanical response. Several simulations were performed considering isolated variations of the following morphological parameters: i) mechanical behaviour of the amorphous material; ii) thickness of the crystalline regions; iii) length of the amorphous regions; iv) number of amorphous regions connected with a crystalline lamella; v) relative angle between the crystalline and the amorphous regions; vi) mode of loading (tension and compression). The thickness of the crystalline lamellae is evidenced as the most significant factor affecting the tensile response of the lamellar structure, followed by the mechanical behaviour of the amorphous phase. The connection angle between amorphous and crystalline regions and the number of amorphous regions bridging adjacent crystalline lamellae play only a minor role. The length of the amorphous regions has a negligible influence. As expected, the lamellar structure shows also distinct behaviours under distinct loading modes, tensile loading showing the highest stresses.

Change in Mechanical Response of Arterial Elastin due to Glycation

2012 ◽  
Author(s):  
Beth Stephen ◽  
Theresa A. Good ◽  
L. D. Timmie Topoleski
Keyword(s):  
Soft Tissues ◽  
Mechanical Response ◽  
Tensile Load ◽  
Material Response ◽  
Biochemical Processes ◽  
High Stiffness ◽  
Health And Disease ◽  
Low Stiffness ◽  
The Individual

Collagen and elastin are the primary load-bearing components of arteries. Elastin is a low strength, highly elastic, fibrous material and collagen is a stiffer material, generally present as wavy fibers when unstretched. Together, they account for the material response of arteries under tensile load. Arteries, and other soft tissues, exhibit a two-part material response to tensile load. There is an initial low stiffness response at low stretch followed by a high stiffness response at higher stretch. It has been proposed that the low stiffness response is dominated by the elastin in the material and the high stiffness response is dominated by collagen [1]. The elastin accounts for the initial low stiffness response of the material, until the wavy collagen fibers straighten and become engaged, at which point the material transitions to its higher stiffness response. It is important to understand the role of the individual collagen and elastin components and how they contribute to the overall mechanical response of the arteries. Further, it is important to understand how specific biochemical processes that occur with age and disease affect the mechanical response of the individual collagen and elastin components and consequently the overall mechanical response of the arteries. This knowledge will increase our understanding of arterial mechanical response and how this response changes arterial function in health and disease.

scholarly journals Ability of Constitutive Models to Characterize the Temperature Dependence of Rubber Hyperelasticity and to Predict the Stress-Strain Behavior of Filled Rubber under Different Defor Mation States

Polymers ◽  
2021 ◽  
Vol 13 (3) ◽  
pp. 369
Author(s):  
Xintao Fu ◽  
Zepeng Wang ◽  
Lianxiang Ma
Keyword(s):  
Experimental Data ◽  
Temperature Dependence ◽  
Mechanical Response ◽  
Constitutive Models ◽  
Uniaxial Tensile ◽  
Uniaxial Tensile Test ◽  
Chain Model ◽  
Stress Strain ◽  
Filled Rubber ◽  
Yeoh Model

In this paper, some representative hyperelastic constitutive models of rubber materials were reviewed from the perspectives of molecular chain network statistical mechanics and continuum mechanics. Based on the advantages of existing models, an improved constitutive model was developed, and the stress–strain relationship was derived. Uniaxial tensile tests were performed on two types of filled tire compounds at different temperatures. The physical phenomena related to rubber deformation were analyzed, and the temperature dependence of the mechanical behavior of filled rubber in a larger deformation range (150% strain) was revealed from multiple angles. Based on the experimental data, the ability of several models to describe the stress–strain mechanical response of carbon black filled compound was studied, and the application limitations of some constitutive models were revealed. Combined with the experimental data, the ability of Yeoh model, Ogden model (n = 3), and improved eight-chain model to characterize the temperature dependence was studied, and the laws of temperature dependence of their parameters were revealed. By fitting the uniaxial tensile test data and comparing it with the Yeoh model, the improved eight-chain model was proved to have a better ability to predict the hyperelastic behavior of rubber materials under different deformation states. Finally, the improved eight-chain model was successfully applied to finite element analysis (FEA) and compared with the experimental data. It was found that the improved eight-chain model can accurately describe the stress–strain characteristics of filled rubber.

scholarly journals A nonlinear strain-rate dependent constitutive model for uncured rubber materials under large deformation

2020 ◽  
Vol 37 ◽  
pp. 118-125
Author(s):  
Weihua Zhou ◽  
Changqing Fang ◽  
Huifeng Tan ◽  
Huiyu Sun
Keyword(s):  
Constitutive Model ◽  
Large Deformation ◽  
Mechanical Response ◽  
Uniaxial Tensile ◽  
Hysteresis Phenomenon ◽  
Mechanical Behaviors ◽  
Nonlinear Constitutive Model ◽  
Rate Dependent ◽  
Parallel Networks ◽  
Non Gaussian

Abstract Uncured rubber possesses remarkable hyperelastic and viscoelastic properties while it undergoes large deformation; therefore, it has wide application prospects and attracts great research interests from academia and industry. In this paper, a nonlinear constitutive model with two parallel networks is developed to describe the mechanical response of uncured rubber. The constitutive model is incorporated with the Eying model to describe the hysteresis phenomenon and viscous flow criterion, and the hyperelastic properties under large deformation are captured by a non-Gaussian chain molecular network model. Based on the model, the mechanical behaviors of hyperelasticity, viscoelasticity and hysteresis under different strain rates are investigated. Furthermore, the constitutive model is employed to estimate uniaxial tensile, cyclic loading–unloading and multistep tensile relaxation mechanical behaviors of uncured rubber, and the prediction results show good agreement with the test data. The nonlinear mechanical constitutive model provides an efficient method for predicting the mechanical response of uncured rubber materials.

scholarly journals Numerical Analysis of the Perforated Steel Sheets Under Uni-Axial Tensile Force

Metals ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 632 ◽  
Author(s):  
Ahmed M. Sayed
Keyword(s):  
Load Capacity ◽  
Tensile Force ◽  
Three Dimensional ◽  
Tensile Load ◽  
Experimental Tests ◽  
Strain Engineering ◽  
Uniaxial Tensile ◽  
Fe Model ◽  
Stress Strain ◽  
Steel Sheets

The perforated steel sheets have many uses, so they should be studied under the influence of the uniaxial tensile load. The presence of these holes in the steel sheets certainly affects the mechanical properties. This paper aims at studying the behavior of the stress-strain engineering relationships of the perforated steel sheets. To achieve this, the three-dimensional finite element (FE) model is mainly designed to investigate the effect of this condition. Experimental tests were carried out on solid specimens to be used in the test of model accuracy of the FE simulation. Simulation testing shows that the FE modeling revealed the ability to calculate the stress-strain engineering relationships of perforated steel sheets. It can be concluded that the effect of a perforated rhombus shape is greater than the others, and perforated square shape has no effect on the stress-strain engineering relationships. The efficiency of the perforated staggered or linearly distribution shapes with the actual net area on the applied loads has the opposite effect, as it reduces the load capacity for all types of perforated shapes. Despite the decrease in load capacity, it improves the properties of the steel sheets.

Nondestructive Photoelastic and Machine Learning Characterization of Surface Cracks and Prediction of Weibull Parameters for Photovoltaic Silicon Wafers

2021 ◽  
pp. 1-40
Author(s):  
Logan Rowe ◽  
Alexander J. Kaczkowski ◽  
Tung-Wei Lin ◽  
Gavin Horn ◽  
Harley Johnson
Keyword(s):  
Machine Learning ◽  
Learning Algorithm ◽  
Tensile Load ◽  
Silicon Wafers ◽  
Uniaxial Tensile ◽  
Support Vector ◽  
Weibull Parameters ◽  
Bulk Stress ◽  
Wire Motion

Abstract A nondestructive photoelastic method is presented for characterizing surface microcracks in monocrystalline silicon wafers, calculating the strength of the wafers, and predicting Weibull parameters under various loading conditions. Defects are first classified from through thickness infrared photoelastic images using a support vector machine learning algorithm. Characteristic wafer strength is shown to vary with the angle of applied uniaxial tensile load, showing greater strength when loaded perpendicular to the direction of wire motion than when loaded along the direction of wire motion. Observed variations in characteristic strength and Weibull shape modulus with applied tensile loading direction stem from the distribution of crack orientations and the bulk stress field acting on the microcracks. Using this method it is possible to improve manufacturing processes for silicon wafers by rapidly, accurately, and nondestructively characterizing large batches in an automated way.

scholarly journals An Experimental Study of the Tension-Compression Asymmetry of Extruded Ti-6.5Al-2Zr-1Mo-1V under Quasi-Static Conditions at High Temperature

Metals ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1299
Author(s):  
Chen Zhang ◽  
Dongsheng Li ◽  
Xiaoqiang Li ◽  
Yong Li
Keyword(s):  
High Temperature ◽  
Strain Hardening ◽  
Yield Stress ◽  
Mechanical Response ◽  
Tensile Deformation ◽  
Uniaxial Tensile ◽  
Tensile Direction ◽  
Stress Asymmetry ◽  
Static Conditions ◽  
Tension Compression Asymmetry

The tension-compression asymmetry (TCA) behavior of an extruded titanium alloy at high temperatures has been investigated experimentally in this study. Uniaxial tensile and compressive tests were conducted from 923 to 1023 K with various strain rates under quasi-static conditions. The corresponding yield stress and asymmetric strain hardening behavior were obtained and analyzed. In addition, the microstructure at different temperatures and stress states indicates that the extruded TA15 profile exhibits a significant yield stress asymmetry at different testing temperatures. The flow stress and yield stress during tension are greater than compression. The yield stress asymmetry decreases with the increase in temperature. The alloy also exhibits TCA behavior on the strain hardening rate. Its mechanical response during compression is more sensitive than tension. A dynamic recrystallization phenomenon is observed instead of twin generated in tension and compression under high-temperature quasi-static conditions. The grains are elongated along the tensile direction and deformed by about 45° along the compressive load axis. Finally, the TCA of Ti-6.5Al-2Zr-1Mo-1V (TA15) alloy is due to slip displacement. The tensile deformation activates basal <a>, prismatic <a> and pyramidal <c + a> slip modes, while the compressive deformation activates only prismatic <a> and pyramidal <c + a> slip modes.

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