Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation

To enable the design and development of the next generation of high-performance composite materials, there is a need to establish improved computational simulation protocols for accurate and efficient prediction of physical, mechanical, and thermal properties of thermoset resins. This is especially true for the prediction of glass transition temperature (Tg), as there are many discrepancies in the literature regarding simulation protocols and the use of cooling rate correction factors for predicting values using molecular dynamics (MD) simulation. The objectives of this study are to demonstrate accurate prediction the Tg with MD without the use of cooling rate correction factors and to establish the influence of simulated conformational state and heating/cooling cycles on physical, mechanical, and thermal properties predicted with MD. The experimentally-validated MD results indicate that accurate predictions of Tg, elastic modulus, strength, and coefficient of thermal expansion are highly reliant upon establishing MD models with mass densities that match experiment within 2%. The results also indicate the cooling rate correction factors, model building within different conformational states, and the choice of heating/cooling simulation runs do not provide statistically significant differences in the accurate prediction of Tg values, given the typical scatter observed in MD predictions of amorphous polymer properties

The socioeconomic landscape of the exposome during pregnancy

Background: While socioeconomic position (SEP) is consistently related to pregnancy and birth outcome dis-parities, relevant biological mechanisms are manifold, thus necessitating more comprehensive characterization of SEP-exposome associations during pregnancy. Objectives: We implemented an exposomic approach to systematically characterize the socioeconomic landscape of prenatal exposures in a setting where social segregation was less distinct in a hypotheses-generating manner. Methods: We described the correlation structure of 134 prenatal exogenous and endogenous sources (e.g., micronutrients, hormones, immunomodulatory metabolites, environmental pollutants) collected in a diverse, population-representative, urban, high-income longitudinal mother-offspring cohort (N = 1341; 2009-2011). We examined the associations between maternal, paternal, household, and areal level SEP indicators and 134 ex-posures using multiple regressions adjusted for precision variables, as well as potential effect measure modifi-cation by ethnicity and nativity. Finally, we generated summary SEP indices using Multiple Correspondence Analysis to further explore possible curved relationships. Results: Individual and household SEP were associated with anthropometric/adiposity measures, folate, omega-3 fatty acids, insulin-like growth factor-II, fasting glucose, and neopterin, an inflammatory marker. We observed paternal education was more strongly and consistently related to maternal exposures than maternal education. This was most apparent amongst couples discordant on education. Analyses revealed additional non-linear as-sociations between areal composite SEP and particulate matter. Environmental contaminants (e.g., per-and polyfluoroalkyl substances) and micronutrients (e.g., folate and copper) showed opposing associations by ethnicity and nativity, respectively. Discussion: SEP-exposome relationships are complex, non-linear, and context specific. Our findings reinforce the potential role of paternal contributions and context-specific modifiers of associations, such as between ethnicity and maternal diet-related exposures. Despite weak presumed areal clustering of individual exposures in our context, our approach reinforces subtle non-linearities in areal-level exposures.Peer reviewe

Enabling damage detection: Manufacturing composite laminates doped with dispersed triboluminescent materials

Triboluminescent materials are being harnessed to address the gaps in current structural health monitoring systems. Their innate ability to emit light when stressed or broken makes them ideal candidates for the ubiquitous and in situ monitoring of structures. The increasing use of advanced composites in critical structures, where subsurface damage initiation may go unnoticed, further highlights the urgency in developing efficient online monitoring technologies. This work looked at the manufacturing of composite laminates that have been doped with various concentrations (0 to 10 %wt.) of a triboluminescent material (ZnS:Mn). Laminates were manufactured using a vacuum infusion process. Dispersing the ZnS:Mn particulates was cumbersome because their density was higher than the resin that caused settling during resin infusion. The dispersion of ZnS:Mn is critical to their use in the health monitoring of the host structure. As such, a method for mechanical agitation using a rotational vacuum infusion apparatus was developed employing centrifugal motion. The degree of dispersion in the resulting laminates was determined using scanning electron microscopy and the energy dispersive scanning feature of the electron microscope for elemental mapping. A quantitative metric was established by computations of the Euclidean distance of EDS mapping. Studies of the effect of ZnS:Mn concentration on the tensile strength of laminates showed that increasing the ZnS:Mn concentration reduced the tensile strength. Key processing parameters were studied, and determined that curing kinetics were not altered by ZnS:Mn inclusion. © 2011, SAGE Publications. All rights reserved

Porosity Reducing Processing Stages of Additive Manufactured Molding (AMM) for Closed-Mold Composite Fabrication

This article aims to merge two evolving technologies, namely additive manufacturing and composite manufacturing, to achieve the production of high-quality and low-cost composite structures utilizing additive manufacturing molding technology. This work studied additive manufacturing processing parameters at various processing stages on final printed part performance, specifically how altering featured wall thickness and layer height combine to affect final porosity. Results showed that reducing the layer height yielded a 90% improvement in pristine porosity reduction. Optimal processing parameters were combined and utilized to design and print a closed additive manufacturing molding tool to demonstrate flexible composite manufacturing by fabricating a composite laminate. Non-destructive and destructive methods were used to analyze the composite structures. Compared to the well-established composite manufacturing processes of hand lay-up and vacuum-assisted resin transfer molding methods, additive manufacturing molding composites were shown to have comparable material strength properties

Harnessing triboluminescence for structural health monitoring of composite structures

Triboluminescent (TL) materials (ZnS: Mn phosphors) were embedded in composite matrices to utilize their inherent luminescent properties for potential structural health monitoring capabilities. Incorporation of Triboluminescent materials into composites raised many important problems involving interactions between dispersion of these particulate crystals and their effects in composite matrices. A rotational mold apparatus was developed to improve dispersion, along with a methodology involving scanning electron microscopy (SEM) techniques to quantify dispersion quality. As design and functionality requirements of engineering structures become more complex; structural health monitoring (SHM) and damage assessment is becoming more rigorous. Though structures involved have regular costly inspections, the fatigue damage associated with composites in SHM systems can lead to catastrophic and expensive failures. Industry and research have no single technique used on its own to provide reliable real-time and cost effective results. This work examines the use of TL crystals embedded in the composite matrices. These crystals react to straining or fracture by emitting light of varied luminous intensity, giving an indication of crack initiation well ahead of catastrophic failure(s). Initial testing has shown that light can propagate through doped resins alone, as well as doped fiber reinforced plastics (FRP) laminates

Progress towards self-healing polymers for composite structural applications

Repair in composite materials is tending towards autonomic healing systems. This is a technological departure from the mechanical repair currently practiced in industry. For reinforced polymer matrix composites, failure tends to occur in the matrix or matrix-reinforcement interface. The most common failure mode is the formation and propagation of microcracks that reduce the material\u27s structural capabilities. Damage may be fixed through traditional bolted or bonded repair methods, but such repair requires temporary decommission of a part, collection of repair materials, and employee time and effort to enact the repair. This review describes methods of self-repair and healing for polymeric materials with a focus on structural applications of these self-healing materials. From intrinsically healing polymers to self-healing-enabled polymer composites with dispersed agents or vascular networks, this review examines the chemistries and mechanisms which enable self-healing

Composite Reinforcement Architectures: A Review of Field-Assisted Additive Manufacturing for Polymers

The demand for additively manufactured polymer composites with increased specific properties and functional microstructure has drastically increased over the past decade. The ability to manufacture complex designs that can maximize strength while reducing weight in an automated fashion has made 3D-printed composites a popular research target in the field of engineering. However, a significant amount of understanding and basic research is still necessary to decode the fundamental process mechanisms of combining enhanced functionality and additively manufactured composites. In this review, external field-assisted additive manufacturing techniques for polymer composites are discussed with respect to (1) self-assembly into complex microstructures, (2) control of fiber orientation for improved interlayer mechanical properties, and (3) incorporation of multi-functionalities such as electrical conductivity, self-healing, sensing, and other functional capabilities. A comparison between reinforcement shapes and the type of external field used to achieve mechanical property improvements in printed composites is addressed. Research has shown the use of such materials in the production of parts exhibiting high strength-to-weight ratio for use in aerospace and automotive fields, sensors for monitoring stress and conducting electricity, and the production of flexible batteries

Characterization of triboluminescent enhanced discontinuous glass-fiber composite beams for micro-damage detection and fracture assessment

This work reports the micro-emissions of triboluminescent (TL) concentrated composites and their evaluation at the onset of damage and crack propagation. Unreinforced vinyl ester resin and discontinuous glass-fiber reinforced non-prismatic beams were fabricated incorporating 10 wt% concentration of a highly triboluminescent material (ZnS:Mn). Triboluminescent observations were seen in both two- and three-phase composite systems throughout the failure loading-cycle. Results indicate emissions occur at various intensities corresponding to initial notch-length and imminent micro-matrix fracture. The fracturing or deformation energy was estimated by an experimental method of the J-integral analysis [1], where a lower threshold for excitation was found to be approximately less than 0.5 J m-2, below its respective critical composite fracture energy (~3 and 7 J m-2). Initiation of micro-cracks was observed for reinforced samples and were subjected to three-point bend tests in lieu of the multiple signatures of the transient signal response