1. Introduction
The development of fabrication techniques for microelectronics has facilitated the fabrication of miniaturized devices. These techniques have primarily been developed for the microfabrication of silicon-based electronic devices such as transistors, diodes, and other circuit elements. In addition, because the materials used in microelectronics, such as aluminum, silicon dioxide, silicon nitride, polycrystalline, and crystalline silicon, possess outstanding mechanical properties [
1], their usage—in addition to their application of micro-metric mechanical structures (i.e., microcantilevers)—has proliferated in the field of MEMS (Micro-Electro-Mechanical Systems).
Microcantilevers have recently attracted attention as detectors in nanocalorimeters due to their high sensitivity, low analyte requirement, quick response, and so on [
2,
3,
4,
5]. This concept was pioneered based on an idea for their extensive use as the sensing platform of a probe (i.e., microcantilever) for an atomic force microscopy (AFM) [
6]. In microcantilever-based MEMS sensors, monitoring mechanical deflections (i.e., static mode sensing) in thermal response to changes in temperature has frequently been adopted as the sensing mechanism. For instance, the changes in surface temperature of the microcantilever can be induced by surface catalytic reactions [
2,
7] or infrared (IR) absorption [
8]. On the other hand, changes in the resonant frequency upon mass uptake are monitored in the dynamic mode [
9]. In addition, a shift in the resonant frequency can be produced by changes in the spring constant, depending on the temperature variation [
10].
Bimorph structures, which consist of a semiconductor material (e.g., silicon, silicon nitride) and a metal (e.g., aluminum, gold), have the ability to exhibit higher sensitivity in the detection of very small changes in temperature than monomaterial microcantilevers [
8]. In particular, the thermal actuation caused by temperature changes relies on the mismatch in coefficients of thermal expansion (otherwise known as the bimetallic effect) between two different types of materials. An electrical resistance-based heating element spreads heat flux and causes thermal stresses. The change in deflection of electrically pre-heated microcantilevers arises from heat generation caused by adsorption of analyte species or the surface reaction.
A careful choice of the beam dimensions has to be made, in order to fabricate devices with the required resolution and sensitivity for each sensing application. In general, the overall sensitivity is determined based on the design sensitivity and the measurement sensitivity [
11,
12]. The Stoney equation [
13] reveals the fundamentals of the surface stress-induced deflections in microcantilevers. According to the Stoney equation, larger deflections can be achieved by reducing the bending stiffness (e.g., by lowering the Young’s modulus, increasing the length, or decreasing the thickness). Thus, it is very important to determine the bending characteristics of designed microcantilevers to achieve high sensitivity of the sensing platform prior to the real fabrication of microcantilevers.
Numerical analysis is one of the most useful methods for feasibility checking and parametric studies in the process of design optimization, and can contribute to reduction of the risks, as well as the costs, of real fabrication. In general, numerical investigations have been conducted to check the implementation feasibility of the proposed mechanisms or to validate the experimental results. For instance, the dynamic behavior of the optical fiber, vibrating at its resonance frequency, was investigated by numerical analysis. The deflection of the optical fiber, modeled as a cantilever, caused by the surface stresses induced by temperature changes due to thermal actuation and amplitude variations in periodic excitation, was numerically investigated in this study [
14]. Another example is the design optimization of laminated piezoresistive microcantilever sensors for static mode sensing. In this study, a numerical study was performed to determine the dimensions of the microcantilever and the doping concentration of the piezoelectric resistor for enhanced sensitivity and resolution [
15]. Besides these examples, there are numerous investigations that include numerical approaches. In these studies, along with 3D numerical simulations using commercial solvers such as ANSYS, simple theoretical calculations based on commercial mathematical software such as MATLAB have successfully been made, owing to the 1D response characteristics of the microcantilevers [
15,
16,
17,
18,
19,
20,
21,
22,
23,
24].
The current study applies an FEA (Finite-Element Analysis) of an electric-thermal-structural coupling model to investigate the deflection characteristics of an electrically actuated bimorph microcantilever. These calculations include the modeling of the bimetallic effect induced by thermal actuation and heat generation due to electrical current, and its conductive and convective heat transfer at room temperature in air. Further, the numerically predicted deflection is compared with experimental data by optical measurement, as well as by theoretical calculation based on the model proposed in previous literature. The design optimization by theoretical calculation is devoted to enhancement of sensitivity in static mode sensing. Furthermore, the roles and importance of various factors such as dimensions, material properties, conductive/convective heat transfer characteristics at the micro-scale, and manufacturing tolerance in determination of resultant mechanical deflections due to electro-thermal actuation are discussed in this study.
4. Numerical Modeling of Bending Characteristics
Numerical techniques, such as finite differential methods (FDM) or finite element methods (FEM), are normally used for structural dynamics simulations. In this study, an electric-thermo-structural coupling simulation is required for calculation of the change in surface stresses resulting from heat conduction induced by electrical actuation. The volumetric Joule heat generated by an electric current through a resistive heating element can be calculated from Ohm’s law, as follows:
In particular, proper estimation of the temperature profile of the microcantilevers is a key factor affecting the prediction of the mechanical deflection with changes in the temperature distribution of the bimorph structure. For numerical simulations, ANSYS Mechanical APDL and ESI CFD-ACE+ were used to calculate the deflection, based on FEM. The simulations were performed on three-dimensional FE models of the cantilevers under linear and static conditions.
The temperature profile of the microcantilever resulting from a conductive and convective heat transfer analysis is achieved with a computational fluid dynamics (CFD) tool (Fluent), which serves as the initial condition for the structural dynamics simulation using ANSYS Mechanical APDL. CFD simulations were performed based on the 3-D, laminar, species transport, and steady-state simulation techniques. Hexagonal and gradient meshing techniques were used.
Figure 6 shows the solid model generated in Gambit software for thermal analysis using Fluent.
The schematic procedure of the numerical simulations is shown in
Figure 7. The deflection due to residual stress can be initially applied before the main calculations. Deflection is calculated by a static-structural simulation based on thermal data obtained from the results of an electric-thermal coupling simulation. To calculate the mechanical deflection caused by the thermal stress at the surface of the microcantilevers, UDF (User-Defined Code) code for CFD/FEA thermal mapping was implemented in the Fluent calculation. The limitation of this approach is that the meshing and scaling of the models needs to be consistent in both Fluent and ANSYS Mechanical APDL. On the other hand, ESI CFD-ACE+ offers a more straightforward environment to model multiphysics systems. Heat transfer, stress, grid deformation, and electric modules were selected for this case, and geometrical and material properties were identical to the case in ANSYS.
In general, the material properties of metallic films are different from those of the bulk. The material properties used in this study are summarized in
Table 1. The heat supplied by the resistive heater is treated as a function of temperature, due to the temperature-dependent resistivity of the gold heating element. To determine the control volume for simulation, the thickness of the thermal boundary layer (
δT) on natural convection over a heated horizontal plate shown in
Figure 8 is calculated by the following equation [
26].
where
g is the acceleration due to gravity (9.81 m/s
2),
β is the thermal expansion coefficient [K
−1],
Ts is the wall temperature [K],
T∞ is the ambient temperature [K],
ν is the kinematic viscosity [m
2/s],
α is the thermal diffusivity, and
L (= Area/Perimeter) is the characteristic length [m]. For the size of the simulation volume determined from the calculation using Equation (6), the convective heat transfer coefficient (
h) calculated based on the pure conduction correlation by the Nusselt number (i.e., Nu = 1) was consistent with the value obtained from the experiments (
h = 700 W/m
2·K) [
2,
27]. Because the actuation slew rate was less than 10 μs and the actuation latency was less than 5 ms, we selected 4 ms as the total simulation time for a steady-state simulation.
6. Results and Discussion
The effect of residual stress from heat treatment in the fabrication process is usually characterized by the geometrical factors, material properties, and, most importantly, temperature variations during heat treatment [
19,
21]. In this study, we analyzed only the thermally induced stress, and excluded intrinsic stress resulting from defects and impurities incorporated in the material. Because deflection due to residual stress is generated when metal layers with different thermal expansion coefficients are thermally bonded, for the application of the theoretical model, we considered only the length corresponding to the area where the Au thin film was deposited. Thermal deformation exceeding the elastic limit cannot be completely recovered to the original status, even at room temperature. The estimation of initial deflection by residual stress is shown in
Figure 10a. The average residual film stress calculated by Equation (3) was approximately −0.11 GPa. As seen in the results from ESI CFD-ACE+, shown in
Figure 10a, the negative stress causes the microcantilever to be inversely deflected. On the other hand, the results from ANSYS Mechanical APDL were represented as the final position, including the initial deflection by residual stress. After calculating the initial deflection (i.e., approximately 10 μm), we were able to subsequently obtain the final positions of the end of the electrically actuated microcantilever from electro-thermal-structural coupling simulation techniques.
Figure 10a shows the resultant deflections of the microcantilever. Because the deflection by thermal actuation occurred in the inverse direction of deflection due to residual stress, the total deflected distance can be defined as the sum of the deflections caused by residual stress and thermal actuation.
Heat is generated by the Au thin-film resistive heating element by actuating current. These heat flows are conducted to the entire region of the microcantilever through the thin-film Au heat spreader. As shown in
Figure 10b, the conducted heat flows in the microcantilevers heated up to high temperatures; for instance, the actuation current of 20 mA heated it to 580 K. Further, we can see that the temperature distribution of the electrically heated microcantilever was not uniform. This was due to convective heat transfer by the high heat transfer coefficient (
h = 700 W/m
2·K) in micro-scale thin film materials. Moreover, the theoretical model did not reflect the temperature dependence of the resistivity of the Au heating element. The nominal resistance value for application of the theoretical model given by Equation (4) is 21 Ω, which was the value measured using a multimeter.
Figure 10a represents the thermally induced deflection due to the bimetallic effect, which is simulated based on the thermal conditions shown in
Figure 10b.
To ascertain the validity of the FEA of microcantilever deflection by thermal actuation, the FEA results are plotted together with the results of the analytical model given in Equation (4) and our experimental data (as shown in
Figure 11), as shown in
Figure 12. The flexural motions of bimorph microcantilevers, shown in
Figure 11, were measured using a CCD camera while the microcantilevers were electro-thermally actuated by an electric current from a power supply, as shown in
Figure 9. In
Figure 12, the deflection due to the theoretical model is plotted when using geometrical and material properties of the microcantilever defined in this study. In the region of ~25 mA, all of the models and the experiment show good agreement, having errors of 10%, on average. The simulation results of two commercial multi-physics tools showed a similar trend up to 20 mA, and the results by ESI CFD-ACE+ showed a relatively closer relation to experiments in the region of operating actuation currents. However, at actuation currents exceeding 25 mA, nonlinear behavior characteristics were observed in the experimental results, which was more pronounced in the numerical results of ANSYS than those of ESI CFD-ACE+. It was determined that this disagreement resulted from both the radiation effect between microcantilevers in an array and the nonlinear behaviors of overheated microstructures. Because the analytical and numerical models follow linear characteristics, they cannot completely account for the nonlinear behaviors of overheated microstructures. Nevertheless, it was clearly demonstrated that the decrease in the deflections at currents greater than 25 mA, compared to the theoretical model, resulted from the reduced heat transfer rate from the heating element to the heat spreader due to a high convective heat transfer rate (i.e.,
h = 700 W/m
2·K) to the air. In addition, the deflection characteristics dependent on variations of length and heat size were numerically evaluated to investigate the effect of manufacturing tolerance on the bending response of the microcantilevers. From the results, the deflection ratio between the nominal dimension (
δnom) and changes (
δtol) by manufacturing tolerance was calculated to be within the range of 0.87–1.14, as shown in
Figure 13.
7. Summary and Conclusions
A theoretical and numerical approach for investigating the bending behavior of a bimetallic microcantilever based on the multi-physics modeling method and its corresponding experimental validation using optical measurements have been presented in this study. In the region of optimum current (or valid operational current) to prevent deterioration by overheating, the theoretical model, and the FEA results showed very good agreement (errors of 10%, on average) with the experiments. The simulation results were very sensitive to the material properties, and thus it was necessary to find the appropriate values for a thin-film metal, rather than the bulk properties. In addition, the heat transfer characteristics at the micro/nanoscale (e.g., estimating the equivalent convective heat transfer coefficient due to pure conduction during thermal actuation of MEMS devices) should be properly considered to enhance the accuracy of numerical prediction. The final deflection due to thermal actuation occurs when the heat loss by convection from the heated surface is balanced by the heat generation by Joule heating. The impact of the design parameters (e.g., dimensions, thermo-physical properties, actuation currents, manufacturing tolerance, and so on) on the electro-thermal actuation and mechanical-response of the microcantilever sensor was successfully assessed in this study. These results are essential precursors for the prediction of mass or temperature variations by adsorption or chemical reactions of an analyte on the surface of a pre-heated microcantilever. In addition, the procedure of this study offers a guideline for the design optimization of microcantilevers using different materials and dimensions.