C.-F. Yen

Filament-Level Modeling of Aramid-Based High-Performance Structural Materials

Molecular statics and molecular dynamics are employed to study the effects of various microstructural and topological defects (e.g., chain ends, axial chain misalignment, inorganic solvent impurities, and sheet stacking faults) on the strength, ductility, and stiffness of p-phenylene terephthalamide (PPTA) fibers/filaments. These fibers can be considered as prototypes for advanced high strength/high-stiffness fibers like Kevlar®, Twaron®, New Star®, etc. While modeling these fibers, it was taken into account that they are essentially crystalline materials consisting of stacks of sheets, with each sheet containing an array of nearly parallel hydrogen-bonded molecules/chains. The inter-sheet bonding, on the other hand, was considered as mainly being of van der Waals or p-electron character. The effects of various deviations of the PPTA fiber structure from that of the perfectly crystalline structure (i.e., microstructural/topological defects) on the material’s mechanical properties are then considered. The results obtained show that while the presence of these defects decreases all the mechanical properties of PPTA fibers, specific properties display an increased level of sensitivity to the presence of certain defects. For example, longitudinal tensile properties are found to be most sensitive to the presence of chain ends, in-sheet transverse properties to the presence of chain misalignments, while cross-sheet transverse properties are found to be most affected by the presence of sheet stacking faults.

Process Modeling of Ti-6Al-4V Linear Friction Welding (LFW)

A fully coupled thermomechanical finite-element analysis of the linear friction welding (LFW) process is combined with the basic physical metallurgy of Ti-6Al-4V to predict microstructure and mechanical properties within the LFW joints (as a function of the LFW process parameters). A close examination of the experimental results reported in the open literature revealed that the weld region consists of a thermomechanically affected zone (TMAZ) and a heat-affected zone (HAZ) and that the material mechanical properties are somewhat more inferior in the HAZ. Taking this observation into account, a model for microstructure-evolution during LFW was developed and parameterized for the Ti-6Al-4V material residing in the HAZ. Specifically, this model addresses the problem of temporal evolution of the prior β-phase grain size (the dominant microstructural parameter in the HAZ) during the LFW process. This model is next combined with the well-established property versus microstructure correlations in Ti-6Al-4V to predict the overall structural performance of the LFW joint. The results obtained are found to be in reasonably good agreement with their experimental counterparts suggesting that the present computational approach may be used to guide the selection of the LFW process parameters to optimize the structural performance of the LFW joints.

Modifications in the AA5083 Johnson-Cook Material Model for Use in Friction Stir Welding Computational Analyses

Johnson-Cook strength material model is frequently used in finite-element analyses of various manufacturing processes involving plastic deformation of metallic materials. The main attraction to this model arises from its mathematical simplicity and its ability to capture the first-order metal-working effects (e.g., those associated with the influence of plastic deformation, rate of deformation, and the attendant temperature). However, this model displays serious shortcomings when used in the engineering analyses of various hot-working processes (i.e., those utilizing temperatures higher than the material recrystallization temperature). These shortcomings are related to the fact that microstructural changes involving: (i) irreversible decrease in the dislocation density due to the operation of annealing/recrystallization processes; (ii) increase in grain-size due to high-temperature exposure; and (iii) dynamic-recrystallization-induced grain refinement are not accounted for by the model. In this study, an attempt is made to combine the basic physical-metallurgy principles with the associated kinetics relations to properly modify the Johnson-Cook material model, so that the model can be used in the analyses of metal hot-working and joining processes. The model is next used to help establish relationships between process parameters, material microstructure and properties in friction stir welding welds of AA5083 (a non-age-hardenable, solid-solution strengthened, strain-hardened/stabilized Al-Mg-Mn alloy).

Multi-Length Scale-Enriched Continuum-Level Material Model for Kevlar®-Fiber-Reinforced Polymer-Matrix Composites

Fiber-reinforced polymer matrix composite materials display quite complex deformation and failure behavior under ballistic/blast impact loading conditions. This complexity is generally attributed to a number of factors such as (a) hierarchical/multi-length scale architecture of the material microstructure; (b) nonlinear, rate-dependent and often pressure-sensitive mechanical response; and (c) the interplay of various intrinsic phenomena and processes such as fiber twisting, interfiber friction/sliding, etc. Material models currently employed in the computational engineering analyses of ballistic/blast impact protective structures made of this type of material do not generally include many of the aforementioned aspects of the material dynamic behavior. Consequently, discrepancies are often observed between computational predictions and their experimental counterparts. To address this problem, the results of an extensive set of molecular-level computational analyses regarding the role of various microstructural/morphological defects on the Kevlar® fiber mechanical properties are used to upgrade one of the existing continuum-level material models for fiber-reinforced composites. The results obtained show that the response of the material is significantly affected as a result of the incorporation of microstructural effects both under quasi-static simple mechanical testing condition and under dynamic ballistic-impact conditions.

Modeling of ballistic-failure mechanisms in gas metal arc welds of mil a46100 armor-grade steel

Purpose – The purpose of this paper is to discuss the recently developed multi-physics computational model for the conventional Gas Metal Arc Welding (GMAW) joining process that has been upgraded with respect to its predictive capabilities regarding the spatial distribution of the mechanical properties controlling the ballistic limit (i.e. penetration resistance) of the weld. Design/methodology/approach – The original model consists of five modules, each dedicated to handling a specific aspect of the GMAW process, i.e.: electro-dynamics of the welding-gun; radiation-/convection-controlled heat transfer from the electric arc to the workpiece and mass transfer from the filler-metal consumable electrode to the weld; prediction of the temporal evolution and the spatial distribution of thermal and mechanical fields within the weld region during the GMAW joining process; the resulting temporal evolution and spatial distribution of the material microstructure throughout the weld region; and spatial distribution ...

Linear Friction Welding Process Model for Carpenter Custom 465 Precipitation-Hardened Martensitic Stainless Steel

An Arbitrary Lagrangian-Eulerian finite-element analysis is combined with thermo-mechanical material constitutive models for Carpenter Custom 465 precipitation-hardened martensitic stainless steel to develop a linear friction welding (LFW) process model for this material. The main effort was directed toward developing reliable material constitutive models for Carpenter Custom 465 and toward improving functional relations and parameterization of the workpiece/workpiece contact-interaction models. The LFW process model is then used to predict thermo-mechanical response of Carpenter Custom 465 during LFW. Specifically, temporal evolutions and spatial distribution of temperature within, and expulsion of the workpiece material from, the weld region are examined as a function of the basic LFW process parameters, i.e., (a) contact-pressure history, (b) reciprocation frequency, and (c) reciprocation amplitude. Examination of the results obtained clearly revealed the presence of three zones within the weld, i.e., (a) Contact-interface region, (b) Thermo-mechanically affected zone, and (c) heat-affected zone. While there are no publicly available reports related to Carpenter Custom 465 LFW behavior, to allow an experiment/computation comparison, these findings are consistent with the results of our ongoing companion experimental investigation.

Molecular-Level Study of the Effect of Prior Axial Compression/Torsion on the Axial-Tensile Strength of PPTA Fibers

A comprehensive all-atom molecular-level computational investigation is carried out in order to identify and quantify: (i) the effect of prior longitudinal-compressive or axial-torsional loading on the longitudinal-tensile behavior of p-phenylene terephthalamide (PPTA) fibrils/fibers; and (ii) the role various microstructural/topological defects play in affecting this behavior. Experimental and computational results available in the relevant open literature were utilized to construct various defects within the molecular-level model and to assign the concentration to these defects consistent with the values generally encountered under “prototypical” PPTA-polymer synthesis and fiber fabrication conditions. When quantifying the effect of the prior longitudinal-compressive/axial-torsional loading on the longitudinal-tensile behavior of PPTA fibrils, the stochastic nature of the size/potency of these defects was taken into account. The results obtained revealed that: (a) due to the stochastic nature of the defect type, concentration/number density and size/potency, the PPTA fibril/fiber longitudinal-tensile strength is a statistical quantity possessing a characteristic probability density function; (b) application of the prior axial compression or axial torsion to the PPTA imperfect single-crystalline fibrils degrades their longitudinal-tensile strength and only slightly modifies the associated probability density function; and (c) introduction of the fibril/fiber interfaces into the computational analyses showed that prior axial torsion can induce major changes in the material microstructure, causing significant reductions in the PPTA-fiber longitudinal-tensile strength and appreciable changes in the associated probability density function.

Multiphysics Modeling and Simulations of Mil A46100 Armor-Grade Martensitic Steel Gas Metal Arc Welding Process

A multiphysics computational model has been developed for the conventional Gas Metal Arc Welding (GMAW) joining process and used to analyze butt-welding of MIL A46100, a prototypical high-hardness armor martensitic steel. The model consists of five distinct modules, each covering a specific aspect of the GMAW process, i.e., (a) dynamics of welding-gun behavior; (b) heat transfer from the electric arc and mass transfer from the electrode to the weld; (c) development of thermal and mechanical fields during the GMAW process; (d) the associated evolution and spatial distribution of the material microstructure throughout the weld region; and (e) the final spatial distribution of the as-welded material properties. To make the newly developed GMAW process model applicable to MIL A46100, the basic physical-metallurgy concepts and principles for this material have to be investigated and properly accounted for/modeled. The newly developed GMAW process model enables establishment of the relationship between the GMAW process parameters (e.g., open circuit voltage, welding current, electrode diameter, electrode-tip/weld distance, filler-metal feed speed, and gun travel speed), workpiece material chemistry, and the spatial distribution of as-welded material microstructure and properties. The predictions of the present GMAW model pertaining to the spatial distribution of the material microstructure and properties within the MIL A46100 weld region are found to be consistent with general expectations and prior observations.

Molecular-Level Computational Investigation of Mechanical Transverse Behavior of p-Phenylene Terephthalamide (PPTA) Fibers

Purpose – A series of all-atom molecular-level computational analyses is carried out in order to investigate mechanical transverse (and longitudinal) elastic stiffness and strength of p-phenylene terephthalamide (PPTA) fibrils/fibers and the effect various microstructural/topological defects have on this behavior. The paper aims to discuss these issues. Design/methodology/approach – To construct various defects within the molecular-level model, the relevant open-literature experimental and computational results were utilized, while the concentration of defects was set to the values generally encountered under “prototypical” polymer synthesis and fiber fabrication conditions. Findings – The results obtained revealed: a stochastic character of the PPTA fibril/fiber strength properties; a high level of sensitivity of the PPTA fibril/fiber mechanical properties to the presence, number density, clustering and potency of defects; and a reasonably good agreement between the predicted and the measured mechanical ...

Computational Modeling of Microstructural-Evolution in AISI 1005 Steel During Gas Metal Arc Butt Welding

A fully coupled (two-way), transient, thermal-mechanical finite-element procedure is developed to model conventional gas metal arc welding (GMAW) butt-joining process. Two-way thermal-mechanical coupling is achieved by making the mechanical material model of the workpiece and the weld temperature-dependent and by allowing the potential work of plastic deformation resulting from large thermal gradients to be dissipated in the form of heat. To account for the heat losses from the weld into the surroundings, heat transfer effects associated with natural convection and radiation to the environment and thermal-heat conduction to the adjacent workpiece material are considered. The procedure is next combined with the basic physical-metallurgy concepts and principles and applied to a prototypical (plain) low-carbon steel (AISI 1005) to predict the distribution of various crystalline phases within the as-welded material microstructure in different fusion zone and heat-affected zone locations, under given GMAW-process parameters. The results obtained are compared with available open-literature experimental data to provide validation/verification for the proposed GMAW modeling effort.