Showing papers by "Xiaoding Wei published in 2013"

Nonlinear elastic behavior of two-dimensional molybdenum disulfide

Abstract: This research explores the nonlinear elastic properties of two-dimensional molybdenum disulfide. We derive a thermodynamically rigorous nonlinear elastic constitutive equation and then calculate the nonlinear elastic response of two-dimensional MoS${}_{2}$ with first-principles density functional theory (DFT) calculations. The nonlinear elastic properties are used to predict the behavior of suspended monolayer MoS${}_{2}$ subjected to a spherical indenter load at finite strains in a multiple-length-scale finite element analysis model. The model is validated experimentally by indenting suspended circular MoS${}_{2}$ membranes with an atomic force microscope. We find that the two-dimensional Young's modulus and intrinsic strength of monolayer MoS${}_{2}$ are 130 and 16.5 N/m, respectively. The results approach Griffith's predicted intrinsic strength limit of ${\ensuremath{\sigma}}_{\mathrm{int}}\ensuremath{\sim}\frac{E}{9}$, where $E$ is the Young's modulus. This study reveals the predictive power of first-principles density functional theory in the derivation of nonlinear elastic properties of two-dimensional MoS${}_{2}$. Furthermore, the study bridges three main gaps that hinder understanding of material properties: DFT to finite element analysis, experimental results to DFT, and the nanoscale to the microscale. In bridging these three gaps, the experimental results validate the DFT calculations and the multiscale constitutive model.

Three-dimensional numerical modeling of composite panels subjected to underwater blast

Abstract: Designing lightweight high-performance materials that can sustain high impulsive loadings is of great interest for marine applications. In this study, a finite element fluid–structure interaction model was developed to understand the deformation and failure mechanisms of both monolithic and sandwich composite panels. Fiber (E-glass fiber) and matrix (vinylester resin) damage and degradation in individual unidirectional composite laminas were modeled using Hashin failure model. The delamination between laminas was modeled by a strain-rate sensitive cohesive law. In sandwich panels, core compaction (H250 PVC foam) is modeled by a crushable foam plasticity model with volumetric hardening and strain-rate sensitivity. The model-predicted deformation histories, fiber/matrix damage patterns, and inter-lamina delamination, in both monolithic and sandwich composite panels, were compared with experimental observations. The simulations demonstrated that the delamination process is strongly rate dependent, and that Hashin model captures the spatial distribution and magnitude of damage to a first-order approximation. The model also revealed that the foam plays an important role in improving panel performance by mitigating the transmitted impulse to the back-side face sheet while maintaining overall bending stiffness.

Atomistic Investigation of Load Transfer Between DWNT Bundles “Crosslinked” by PMMA Oligomers

Abstract: The production of carbon nanotube (CNT) yarns possessing high strength and toughness remains a major challenge due to the intrinsically weak interactions between “bare” CNTs. To this end, nanomechanical shear experiments between functionalized bundles of CNTs are combined with multiscale simulations to reveal the mechanistic and quantitative role of nanotube surface functionalization on CNT-CNT interactions. Notably, the in situ chemical vapor deposition (CVD) functionalization of CNT bundles by poly(methyl methacrylate) (PMMA)-like oligomers is found to enhance the shear strength of bundle junctions by about an order of magnitude compared with “bare” van der Waals interactions between pristine CNTs. Through multiscale simulations, the enhancement of the shear strength can be attributed to an interlocking mechanism of polymer chains in the bundles, dominated by van der Waals interactions, and stretching and alignment of chains during shearing. Unlike covalent bonds, such synergistic weak interactions can re-form upon failure, resulting in strong, yet robust fibers. This work establishes the significance of engineered weak interactions with appropriate structural distribution to design CNT yarns with high strength and toughness, similar to the design paradigm found in many biological materials.

A new rate-dependent unidirectional composite model - Application to panels subjected to underwater blast

Abstract: In this study, we developed a finite element fluid–structure interaction model to understand the deformation and failure mechanisms of both monolithic and sandwich composite panels. A new failure criterion that includes strain-rate effects was formulated and implemented to simulate different damage modes in unidirectional glass fiber/matrix composites. The laminate model uses Hashin’s fiber failure criterion and a modified Tsai–Wu matrix failure criterion. The composite moduli are degraded using five damage variables, which are updated in the post-failure regime by means of a linear softening law governed by an energy release criterion. A key feature in the formulation is the distinction between fiber rupture and pull-out by introducing a modified fracture toughness, which varies from a fiber tensile toughness to a matrix tensile toughness as a function of the ratio of longitudinal normal stress to effective shear stress. The delamination between laminas is modeled by a strain-rate sensitive cohesive law. In the case of sandwich panels, core compaction is modeled by a crushable foam plasticity model with volumetric hardening and strain-rate sensitivity. These constitutive descriptions were used to predict deformation histories, fiber/matrix damage patterns, and inter-lamina delamination, for both monolithic and sandwich composite panels subjected to underwater blast. The numerical predictions were compared with experimental observations. We demonstrate that the new rate dependent composite damage model captures the spatial distribution and magnitude of damage significantly more accurately than previously developed models.

Tailoring the Mechanical Properties of Carbon Nanotube Fibers

Abstract: Performance and efficiency demands in industrial applications are pushing a need for carbon fibers that can outperform existing technologies. Fibers that incorporate carbon nanotubes (CNTs) to enhance specific mechanical properties are a promising route to addressing this need. Some of the major roadblocks to unlocking the full potential of macroscopic fibers based on CNTs are controlling and optimizing the shear interactions within and between CNTs, geometrical organization of the CNTs, and structural properties of the individual CNTs. Several approaches have been pursued in order to optimize the mechanical behavior of CNT fibers, including irradiation-induced covalent cross-linking, reformable or rehealable bonding, and optimized geometrical and structural fiber designs. These approaches are inspired by nature, which uses hierarchical bonding schemes in optimized orientations to tailor the mechanical properties of its materials to the needs and environment of specific organisms. In this chapter, these approaches for developing high-performance CNT fibers will be reviewed, and an outlook of their potential impact will be discussed.