Phase-field elasticity model based on mechanical jump conditions

Computational models based on the phase-field method typically operate on a mesoscopic length scale and resolve structural changes of the material and furthermore provide valuable information about microstructure and mechanical property relations. An accurate calculation of the stresses and mechanical energy at the transition region is therefore indispensable. We derive a quantitative phase-field elasticity model based on force balance and Hadamard jump conditions at the interface. Comparing the simulated stress profiles calculated with Voigt/Taylor (Annalen der Physik 274(12):573, 1889), Reuss/Sachs (Z Angew Math Mech 9:49, 1929) and the proposed model with the theoretically predicted stress fields in a plate with a round inclusion under hydrostatic tension, we show the quantitative characteristics of the model. In order to validate the elastic contribution to the driving force for phase transition, we demonstrate the absence of excess energy, calculated by Durga et al. (Model Simul Mater Sci Eng 21(5):055018, 2013), in a one-dimensional equilibrium condition of serial and parallel material chains. To validate the driving force for systems with curved transition regions, we relate simulations to the Gibbs-Thompson equilibrium condition

In-situ synthesized poly(vinyl butyral)/MMT-clay nanocomposites: The role of degree of acetalization and clay content on thermal, mechanical and permeability properties of PVB matrix

Poly(vinyl butyral) - MMT clay nanocomposites were synthesized in situ with three different degrees of acetalization and with varying clay content for each vinyl butyral polymer ratio. The clay nano-platelet galleries were expanded, as determined by X-ray diffraction and TEM analysis. The glass transition temperature of the polymer nanocomposites were found to be similar to 56 degrees C and similar to 52 degrees C for the neat polymer and the 4% clay loaded samples, respectively. The 4 wt% clay loaded film showed higher strength and low strain to failure. The dynamic mechanical analysis also confirmed the improved stability of the matrix. The matrix with 0.5 butyral to alcohol ratio for 4 wt% clay exhibited good water vapor transmission compared to all other compositions. The encapsulated devices with 2.5 and 4 wt% clay loaded films increases the device life time and the efficiencies of these films were 50% higher than their encapsulated pristine polymer films. (C) 2015 Elsevier Ltd. All rights reserved.

Pressure sensitive flow and constraint factor in amorphous materials below glass transition

The constraint factor, C (given by the hardness-yield strength ratio H/Y in the fully lastic regime of indentation), in metallic glasses, is greater than three, a reflection of the sensitivity of their plastic flow to pressure. Furthermore, C increases with increasing temperature. In this work, we examine if this is true in amorphous polymers as well, through experiments on amorphous poly(methyl methacrylate) (PMMA). Uniaxial compression as well as spherical indentation tests were conducted in the 248-348 K range to construct H/Y versus indentation strain plots at each temperature and obtain the C-values. Results show that C increases with temperature in PMMA as well. Good correlation between the loss factors, measured using a dynamic mechanical analyzer, and C, suggest that the enhanced sensitivity to pressure is possibly due to beta-relaxation. We offer possible mechanistic reasons for the observed trends in amorphous materials in terms of relaxation processes.

Aging response and its effect on the functional properties of Cu–Al–Ni shape memory alloys

The β-phase aging response of Cu–Al–Ni single crystal shape memory alloys (SMAs) within the temperature range of 473–573 K has been investigated. Alloys in austenitic (Cu–14.1Al–4Ni wt.%, alloy A) and martensitic (Cu–13.4Al–4Ni wt.%, alloy M) conditions at room temperature were considered. Aged samples show presence of β1′ and γ1′ martensites in both the alloys and formation of γ2 precipitates in the alloy A. The differential scanning calorimetry (DSC) thermograms of the aged samples show increase in transformation temperatures as well as transformation hysteresis with aging. Dynamic mechanical analysis (DMA) was conducted on both the alloys to ascertain the role of precipitates and martensitic transition on tan δ, which characterizes the damping behaviour of the material. With aging, a steady decrease in tan δ value was observed in both the alloys, which was attributed to the decrease in the number of interfaces per unit area with increasing aging temperature. Moreover, in alloy A, as the volume fraction of precipitate increases with aging, the movement of martensitic interfaces is restricted causing a decreased tan δ.

Synthesis and characterization of flexible epoxy nanocomposites reinforced with amine functionalized alumina nanoparticles: a potential encapsulant for organic devices

Research on conducting polymers, organic light emitting diodes and organic solar cells has been an exciting field for the past decade. The challenge with these organic devices is the long term stability of the active material. Organic materials are susceptible to chemical degradation in the presence of oxygen and moisture. The sensitivity of these materials towards oxygen and moisture makes it imperative to protect them by encapsulation. Polymer nanocomposites can be used as encapsulation materials in order to prevent material degradation. In the present work, amine functionalized alumina was used as a cross-linking and reinforcing material for the polymer matrix in order to fabricate the composites to be used for encapsulation of devices. Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy and Raman spectroscopy were used to elucidate the surface chemistry. Thermogravimetric analysis techniques and CHN analysis were used to quantify grafting density of amine groups over the surface of the nanoparticles. Mechanical characterizations of the composites with various loadings were carried out with dynamic mechanical analyzer. It was observed that the composites have good thermal stability and mechanical flexibility, which are important for an encapsulant. The morphology of the composites was evaluated using scanning electron microscopy and atomic force microscopy.

Evolution of and preconditions for generation of corrugations on a plane surface in rolling contact

A hard roller under normal load is driven by the flat surface of a soft disc. Corrugations are generated on the disc when certain surface morphological, load, speed and mechanical property-oriented conditions are met. The evolutionary process of corrugation generation and the preconditions necessary for it are investigated morphologically and mechanically for four disc materials: mild steel, brass, PTFE and PMMA.

Grain Floatation During Equiaxed Solidification of an Al-Cu Alloy in a Side-Cooled Cavity: Part II-Numerical Studies

In this article, a single-phase, one-domain macroscopic model is developed for studying binary alloy solidification with moving equiaxed solid phase, along with the associated transport phenomena. In this model, issues such as thermosolutal convection, motion of solid phase relative to liquid and viscosity variations of the solid-liquid mixture with solid fraction in the mobile zone are taken into account. Using the model, the associated transport phenomena during solidification of Al-Cu alloys in a rectangular cavity are predicted. The results for temperature variation, segregation patterns, and eutectic fraction distribution are compared with data from in-house experiments. The model predictions compare well with the experimental results. To highlight the influence of solid phase movement on convection and final macrosegregation, the results of the current model are also compared with those obtained from the conventional solidification model with stationary solid phase. By including the independent movement of the solid phase into the fluid transport model, better predictions of macrosegregation, microstructure, and even shrinkage locations were obtained. Mechanical property prediction models based on microstructure will benefit from the improved accuracy of this model.

Effect of nanoclay content and compatibilizer on viscoelastic properties of montmorillonite/polypropylene nanocomposites

This paper deals with preparation of nanocomposites using modified nanoclay (organoclay) and polypropylene (PP), with, and without compatibilizer (m-TMI-g-PP) to study the effects of modified nanoclay and compatibilizer on viscoelastic properties. Nanocomposites were prepared in two steps; compounding of master batch of nanoclay, polypropylene and m-TMI-g-PP in a torque rheometer and blending of this master-batch with polypropylene in a twin-screw extruder in the specific proportions to yield 3-9% nanoclay by weight in the composite. Dynamic Mechanical Analysis (DMA) tests were carried out to investigate the viscoelastic behavior of virgin polypropylene and nanocomposites. The dynamic mechanical properties such as storage modulus (E'), loss modulus (E `') and damping coefficient (tand) of PP and nano-composites were investigated with and without compatibilizer in the temperature range of -40 degrees C to 140 degrees C at a step of 5 degrees C and frequency range of 5 Hz to 100 Hz at a step of 10 Hz. Storage modulus and loss modulus of the nano-composites was significantly higher than virgin polypropylene throughout the temperature range. Storage modulus of the composites increased continuously with increasing nano-content from 3% to 9%. Composites prepared with compatibilizer exhibited inferior storage modulus than the composites without compatibilizer. Surface morphology such as dispersion of nanoclay in the composites with and without compatibilizer was analyzed through Atomic Force Microscope (AFM) that explained the differences in viscoelastic behavior of composites. (C) 2011 Elsevier Ltd. All rights reserved.

A broad pore size distribution mesoporous SnO2 as anode for lithium-ion batteries

We demonstrate here that mesoporous tin dioxide (abbreviated M-SnO2) with a broad pore size distribution can be a prospective anode in lithium-ion batteries. M-SnO2 with pore size ranging between 2 and 7.5 nm was synthesized using a hydrothermal procedure involving two different surfactants of slightly different sizes, and characterized. The irreversible capacity loss that occurs during the first discharge and charge cycle is 890 mAh g(-1), which is smaller than the 1,010-mAh g(-1) loss recorded for mesoporous SnO2 (abbreviated S-SnO2) synthesized using a single surfactant. After 50 cycles, the discharge capacity of M-SnO2 (504 mAh g(-1)) is higher than that of S-SnO2 (401 mAh g(-1)) and solid nanoparticles of SnO2 (abbreviated nano-SnO2 < 4 mAh g(-1)) and nano-SnO2. Transmission electron microscopy revealed higher disorder in the pore arrangement in M-SnO2. This, in turn imparts lower stiffness to M-SnO2 (elastic modulus, E (R) a parts per thousand aEuro parts per thousand 14.5 GPa) vis-a-vis S-SnO2 (E (R) a parts per thousand aEuro parts per thousand 20.5 GPa), as obtained using the nanoindentation technique. Thus, the superior battery performance of M-SnO2 is attributed to its intrinsic material mechanical property. The fluidity of the internal microstructure of M-SnO2 resulted in a lower degree of aggregation of Sn particles compared to S-SnO2 and nano-SnO2 structural stabilization and long-term cyclability.

Polyvinylbutyral based hybrid organic/inorganic films as a moisture barrier material

Flexible and thermally stable, freestanding hybrid organic/inorganic based polymer-composite films have been fabricated using a simple solution casting method. Polyvinylbutyral and amine functionalized mesoporous silica were used to synthesize the composite. An additional polyol-''tripentaerythritol''-component was also used to increase the -OH group content in the composite matrix. The moisture permeability of the composites was investigated by following a calcium degradation test protocol. This showed a reduction in the moisture permeability with the increase in functionalized silica loadings in the matrix. A reduction in permeability was observed for the composites as compared to the neat polymer film. The thermal and mechanical properties of these composites were also investigated by various techniques like thermogravimetric analysis, differential scanning calorimetry, tensile experiments, and dynamic mechanical analysis. It was observed that these properties detonate with the increase in the functionalized silica content and hence an optimized loading is required in order to retain critical properties. This deterioration is due to the aggregation of the fillers in the matrix. Furthermore, the films were used to encapsulate P3HT (poly 3 hexyl thiophene) based organic Schottky structured diodes, and the diode characteristics under accelerated aging conditions were studied. The weathered diodes, encapsulated with composite film showed an improvement in the lifetime as compared to neat polymer film. The initial investigation of these films suggests that they can be used as a moisture barrier layer for organic electronics encapsulation application.

Enzymatically degradable EMI shielding materials derived from PCL based nanocomposites

In this study, two different types of multiwall carbon nanotubes (MWNTs) namely pristine (p-MWNTs) and amine functionalized (a-MWNTs) were melt-mixed with polycaprolactone (PCL) to develop biodegradable electromagnetic interference (EMI) shielding materials. The bulk electrical conductivity of the nanocomposites was assessed using broadband dielectric spectroscopy and the structural properties were evaluated using dynamic mechanical thermal analysis (DMTA). Both the electrical conductivity and the structural properties improved after the addition of MWNTs and were observed to be proportional to the increasing fractions in the nanocomposites. The shielding effectiveness of the nanocomposites was studied using a vector network analyzer (VNA) in a broad range of frequencies, X-band (8 to 12 GHz) and K-u-band (12 to 18 GHz) on toroidal samples. The shielding effectiveness significantly improved on addition of MWNTs, more in the case of p-MWNTs than in a-MWNTs. For instance, at a given fraction of MWNTs (3 wt%), PCL with p-MWNTs and a-MWNTs showed a shielding effectiveness of -32 dB and -29 dB, respectively. Moreover, it was observed that reflection was the primary mechanism of shielding at lower fractions of MWNTs, while absorption dominated at higher fractions in the composites. As one of the rationales of this work was to develop biodegradable EMI shielding materials to address the challenges concerning electronic waste, the effect of different MWNTs on the biodegradability of PCL composites was assessed through enzymatic degradation. The enzymatic degradation of the samples cut from the hot pressed films by bacterial lipase was investigated. It was noted that a-MWNTs exhibited almost similar degradation rate as the control PCL sample; however, p-MWNTs showed a slower degradation rate. This study demonstrates the potential use of PCL-MWNT composites as flexible, light weight and eco-friendly EMI shielding materials.

Tailored interface and enhanced elastic modulus in epoxy-based composites in presence of branched poly(ethyleneimine) grafted multiwall carbon nanotubes

In this study, branched poly(ethyleneimine), BPEI, was synthesized from carboxylic acid terminated multi-walled carbon nanotubes (c-MWNTs) and characterized using FTIR, TEM and TGA. The BPEI was then chemically grafted onto MWNTs to enhance the interfacial adhesion with the epoxy matrix. The epoxy composites with c-MWNTs and the BPEI-g-MWNTs were prepared using a sonication and mechanical stirring method, followed by curing at 100 degrees C and post-curing at 120 degrees C. The dynamic mechanical thermal analysis showed an impressive 49% increment in the storage elastic modulus in the composites. In addition, the nanoindentation on the composites exhibited significant improvement in the hardness and decrease in the plasticity index in the presence of the BPEI-g-MWNTs. Thus, epoxy composites with BPEI-g-MWNTs can be further explored as self-healing materials.

An efficient strategy to develop microwave shielding materials with enhanced attenuation constant

A mutually miscible homopolymer (here polymethyl methacrylate; PMMA) was employed to tailor the interfacial properties of immiscible polycarbonate/styrene acrylonitrile (PC/SAN) blends. In order to design materials that can shield microwave radiation, one of the key properties i.e. electrical conductivity was targeted here using a conducting inclusion; multiwall carbon nanotubes (MWNTs). Owing to higher polarity, MWNTs prefer PC over SAN which though enhance the electrical conductivity of the blends, they don't improve the interfacial properties and results in poor mechanical properties. Hence, an efficient strategy has been adopted here to simultaneously enhance the mechanical, electrical and microwave attenuation properties. Herein, the MWNTs were wrapped by PMMA via in situ polymerization of MMA (methyl methacrylate). This strategy resulted in the migration of PMMA modified MWNTs towards the blend's interface and resulted in an effective stress transfer across the interface leading to improved mechanical and dynamic mechanical properties. Interestingly, the bulk electrical conductivity of the blends was also enhanced, manifesting the improved dispersion of the MWNTs. The state of dispersion of the MWNTs and the phase morphology were assessed using scanning electron microscopy. The microwave attenuation properties were evaluated using a vector network analyzer (VNA) in the X and K-u-band frequencies. The blends with PMMA wrapped MWNTs manifested a -21 dB of shielding effectiveness which suggests attenuation of more than 99% of the incoming microwave radiation. More interestingly, the attenuation constant could be tuned here employing this unique strategy. This study clearly opens a new tool box in designing materials that show improved mechanical, dynamic mechanical, electrical conductivity and microwave shielding properties.

Tailored electrical conductivity, electromagnetic shielding and thermal transport in polymeric blends with graphene sheets decorated with nickel nanoparticles

Electromagnetic interference shielding (EMI) materials were designed using PC (polycarbonate)/SAN poly(styrene-co-acrylonitrile)] blends containing few-layered graphene nanosheets decorated with nickel nanoparticles (G-Ni). The graphene nanosheets were decorated with nickel nanoparticles via the uniform nucleation of the metal salt precursor on graphene sheets as the substrate. In order to localize the nanoparticles in the PC phase of the PC/SAN blends, a two-step mixing protocol was adopted. In the first step, graphene sheets were mixed with PC in solution and casted into a film, followed by dilution of these PC master batch films with SAN in the subsequent melt extrusion step. The dynamic mechanical properties, ac electrical conductivity, EMI shielding effectiveness and thermal conductivity of the composites were evaluated. The G-Ni nanoparticles significantly improved the electrical and thermal conductivity in the blends. In addition, a total shielding effectiveness (SET) of -29.4 dB at 18 GHz was achieved with G-Ni nanoparticles. Moreover, the blends with G-Ni exhibited an impressive 276% higher thermal conductivity and 29.2% higher elastic modulus with respect to the neat blends.