Mohammad A. Khaleel

Three-dimensional thermo-fluid electrochemical modeling of planar SOFC stacks

A simulation tool for modeling planar solid oxide fuel cells is demonstrated. The tool combines the versatility of a commercial computational fluid dynamics simulation code with a validated electrochemistry calculation method. Its function is to predict the flow and distribution of anode and cathode gases, temperature and current distributions, and fuel utilization. A three-dimensional model geometry, including internal manifolds, was created to simulate a generic, cross-flow stack design. Similar three-dimensional geometries were created for simulation of co-flow, and counterflow stack designs. Cyclic boundary conditions were imposed at the top and bottom of the model domains, while the lateral walls were assumed adiabatic. The three cases show that, for a given average cell temperature, similar fuel utilizations can result irrespective of the flow configuration. Temperature distributions however, which largely determine thermal stresses during operation, are dependent on the chosen design geometry/flow configuration. The co-flow case had the most uniform temperature distribution and the smallest thermal gradients, thus offers thermo-structural advantages over the other flow cases.

Constitutive modeling of deformation and damage in superplastic materials

Abstract The superplastic deformation and cavitation damage characteristics of a modified aluminum alloy are investigated at a temperature range from 500 to 550°C. The baseline alloy is AA5083. Nominally this alloy contains about 4.5% Mg, 0.8% Mn, 0.2% Cr, 0.037% Si, 0.08% Fe and 0.025% Ti by weight. The experimental program consists of uniaxial tension tests and digital image analysis for measuring cavitation. The experiments reveal that evolution of damage is due to both nucleation and growth of voids. A viscoplastic model for describing deformation and damage in this alloy is developed based on a continuum mechanics framework. The model includes the effect of strain hardening, strain rate sensitivity, dynamic and static recovery, and nucleation and growth of voids. The model predictions compare well with the experimental results.

Damage and size effect during superplastic deformation

Abstract Superplastic forming is a valuable metal working technique because of the extreme ductility that can be achieved. However, it is limited in application due to the presence of small voids that grow and coalesce during the forming process, often causing premature failure. In order to understand and control this phenomenon accurate constitutive models must be developed which account for void parameters that affect the macroscopic behavior of the material. This paper looks specifically at the effect of void size and spacing on the ductility and flow stress of viscoplastic materials. Based on the gradient-dependent theory of plasticity, a model is proposed that accounts for size effects by incorporating strain gradient terms into a continuum based constitutive equation. Both experimental testing and finite element (FE) modeling were performed on Pb–Sn, tensile specimens with small holes drilled in them in random patterns. The experimental tests indicate that a decrease in void size results in an increase in ductility. The FE results demonstrate that the gradient terms strengthen the material by diffusing the strain in areas of high strain concentration and delay failure by slowing void growth. In addition, the model predicted an increase in ductility and flow stress with decreasing void size.

Modeling of thermally activated dislocation glide and plastic flow through local obstacles

Abstract A unified phenomenological model is developed to study the dislocation glide through weak obstacles during the first stage of plastic deformation in metals. This model takes into account both the dynamical responses of dislocations during the flight process and thermal activations while dislocations are bound by obstacle arrays. The average thermal activation rate is estimated using an analytical model based on the generalized Friedel relations. Then, the average flight velocity after an activation event is obtained numerically by discrete dislocation dynamics (DD). To simulate the dynamical dislocation behavior, the inertia term is implemented into the equation of dislocation motion within the DD code. The results from the DD simulations, coupled with the analytical model, determine the total dislocation velocity as a function of the stress and temperatures. By choosing parameters typical of the face centered cubic metals, the model reproduces both obstacle control and drag control motion in low and high velocity regimes, respectively. As expected by other string models, dislocation overshoots of obstacles caused by the dislocation inertia at the collisions are enhanced as temperature goes down.

Analysis of a Planar Solid Oxide Fuel Cell Based Automotive Auxiliary Power Unit

The solid oxide fuel cell (SOFC) system has emerged as an important technology for automotive and stationary applications. Modeling and simulation of the SOFC system have been utilized as an integral tool in an accelerated joint SOFC system development program. Development of unique modeling approaches and their results are discussed and compared with experimental performance. One dimensional system level analysis using Aspen with an embedded stack electro-chemical model was performed resulting in effective sub-system partitioning and requirements definition. Further, a three-dimensional integrated electro-chemical/thermal/computational fluid dynamics analysis of steady-state operation was employed. The combination of one-dimensional and three-dimensional environments led to effective performance projection at all levels in the system, resulting in optimization of overall system performance early in the design cycle.

A parametric-experimental study of void growth in superplastic deformation

Abstract Substantial void growth in metals constitutes a problem in many industrial operations that utilize superplastic deformation. This is because of the likelihood of material failure due to such growth. Hence, there is a need to study void growth mechanisms in an effort to understand the parameters governing it. In this work, numerical and experimental studies of void growth, and the parameters that affect it, in a superplastically deforming (SPD) metal have been performed. In the numerical studies, using the finite-element method, a 1×2 sized thin plate (i.e. plane stress conditions) of a viscoplastic material with pre-existing holes has been subjected to a constant extension rate. The experimental studies were performed under similar conditions to the numerical ones and provided for qualitative comparison. The parameters affecting void growth in SPD are: m (the strain-rate sensitivity), void size (i.e. diameter) and the number (density) of existing voids. The results showed that increased m values produced strengthening and decreased the rate of void growth. In addition, larger initial void size (or, equivalently, a larger initial void fraction) had the effect of weakening the specimen through causing accelerated void growth. Finally, multiple holes had the effect of increasing the metal ductility by reducing the extent of necking and its onset. This was realized through diffusing the plastic deformation at the different hole sites and reducing the stress concentration. The numerical results were in good qualitative agreement with the experiment and suggested the need to refine existing phenomenological void growth models to include the dependence on the void fraction.

Weld metal ductility in aluminum tailor welded blanks

The objective of the research described in this article was to characterize and numerically describe the ductility of weld material in aluminum tailor welded blanks under uniaxial tension conditions. Aluminum tailor welded blanks consist of multiple thickness and alloy sheet materials welded together into a single, variable thickness blank. To evaluate the mechanical properties of the weld material in these tailor welded blanks, a series of tensile specimens containing varying ratios of weld and monolithic material in the gage area of the specimen were tested. These experimental results show that increasing the amount of weld in the cross-sectional area of the specimen decreases the ductility of the specimen and that the weld characteristics have a pronounced impact on ductility. Using the experimental results and classical tensile instability and necking models, a numerical model was developed to describe the ductility of the weld metal. The model involves basic material properties and an initial imperfection level in both the weld and monolithic materials. The specimens studied were produced from 1- to 2-mm AA5182-O aluminum alloy sheet material welded into blanks using an autogenous gas tungsten arc welding process.

Electronic and magnetic properties of substituted BN sheets: A density functional theory study

Using density functional calculations, we investigate the geometries, electronic structures and magnetic properties of hexagonal BN sheets with 3d transition metal (TM) and nonmetal atoms embedded in three types of vacancies: V(B), V(N), and V(B+N). We show that some embedded configurations, except TM atoms in V(N) vacancy, are stable in BN sheets and yield interesting phenomena. For instance, the band gaps and magnetic moments of BN sheets can be tuned depending on the embedded dopant species and vacancy type. In particular, embedment such as Cr in V(B+N), Co in V(B), and Ni in V(B) leads to half-metallic BN sheets interesting for spin filter applications. From the investigation of Mn-chain (C(Mn)) embedments, a regular 1D structure can be formed in BN sheets as an electron waveguide, a metal nanometre wire with a single atom thickness.

Modeling of glass fracture damage using continuum damage mechanics - Static spherical indentation

The response of soda-lime glass subjected to the stress field induced by the static indentation of a spherical indenter is studied using continuum damage mechanics (CDM). An anisotropic damage tensor with linear damage evolution law is chosen to model the cracking damage. An axisymmetric finite element model is generated to simulate the static indentation process. The damage pattern and zone size are predicted for both the loading cycle and the unloading cycle, and the comparison between the predictions and the experimental results reported in the open literature serves as a validation of the CDM model and the modeling procedure.

Performance Optimization of Self-Piercing Rivets through Analytical Rivet Strength Estimation

Abstract This paper presents the authors’ work on strength optimization and failure mode prediction of self-piercing rivets (SPRs) for automotive applications. The limit load based strength estimator is used to estimate the static strength of an SPR under a cross-tension loading configuration. Failure modes associated with the estimated failure strength are also predicted. Experimental strength and failure mode observations are used to validate the model. It is shown that the strength of an SPR joint depends on the material and gage combinations, rivet design, die design, and riveting direction. The rivet strength estimator is then used to optimize the rivet strength by comparing the measured rivet strength and failure mode with the predicted ones. Two illustrative examples are used in which rivet strength is optimized by changing rivet design and riveting direction from the original manufacturing parameters.