Engineering topics

Govindan, T. R.

Publications and source records attributed to Govindan, T. R..

At least 37 records · Page 2

NASA NTRS2000

A Coupled Plasma-Sheath Model for High Density Sources

High density, low pressure plasmas are used for etching and deposition in microelectronics fabrication processes. The process characteristics are strongly determined by the ion energy distribution (IED) and the ion flux arriving at the substrate that are responsible for desorption of etch products and neutral dissociation at the surface. The ion flux and energy are determined by a self- consistent modeling of the bulk plasma, where the ions and the neutral radicals are produced, and the sheath, where the ions are accelerated. Due to their widely different time scales, it is a formidable task to self-consistently resolve non-collisional sheath in a high density bulk plasma model. In this work, we first describe a coupled plasma-sheath model that attempts to resolve the non-collisional sheath in a reactor scale model. Second, we propose a semianalytical radio frequency (RF) sheath model to improve ion dynamics.

Bose, Deepak↗

NASA NTRS2000

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

NASA NTRS1999

Transmission Through Carbon Nanotubes with Polyhedral Caps

We study electron transport between capped carbon nanotubes and a substrate, and relate this transport to the local density of states in the cap. Our results show that that the transmission probability mimics the behavior of the density of states at all energies except those that correspond to localized states. For a capped carbon nanotube that is not connected to a substrate, the localized states do not couple to the coexisting continuum states. However, close proximity of a substrate causes hybridization between these states. As a result, new transmission paths open from substrate states to nanotube continuum states via the localized states in the cap. We show that the interference between various paths gives rise to transmission antiresonances with the minimum equal to zero at the energy of the localized state. The presence of defects in the tube places close to the cap transforms antiresonances into resonances. Depending on the spatial position of defects, these resonant states are capable of carrying a large current. The results of this paper are of relevance to carbon nanotube based studies on molecular electronics and probe tip applications.

Anantram, M. P.↗

NASA NTRS1999

Coupling of Carbon Nanotubes to Metallic Contacts

The modeling of carbon nanotube-metal contacts is important from both basic and applied view points. For many applications, it is important to design contacts such that the transmission is dictated by intrinsic properties of the nanotube rather than by details of the contact. In this paper, we calculate the electron transmission probability from a nanotube to a free electron metal, which is side-contacted. If the metal-nanotube interface is sufficiently ordered, we find that k-vector conservation plays an important role in determining the coupling, with the physics depending on the area of contact, tube diameter, and chirality. The main results of this paper are: (1) conductance scales with contact length, a phenomena that has been observed in experiments and (2) in the case of uniform coupling between metal and nanotube, the threshold value of the metal Fermi wave vector (below which coupling is insignificant) depends on chirality. Disorder and small phase coherence length relax the need for k-vector conservation, thereby making the coupling stronger.

Anantram, M. P.↗

NASA NTRS1999

Feature Profile Evolution of SiO2 Trenches In Fluorocarbon Plasmas

Etching of silicon microstructures for semiconductor manufacturing in chlorine plasmas has been well characterized. The etching proceeds in a two-part process, where the chlorine neutrals passivate the Si surface and then the ions etch away SiClx. However, etching in more complicated gas mixtures and materials, such as etching of SiO2 in Ar/C4F8, requires knowledge of the ion and neutral distribution functions as a function of angle and velocity, in addition to modeling the gas surface reactions. In order to address these needs, we have developed and integrated a suite of models to simulate the etching process from the plasma reactor level to the feature profile evolution level. This arrangement allows for a better understanding, control, and prediction of the influence of equipment level process parameters on feature profile evolution. We are currently using the HPEM (Hybrid Plasma Equipment Model) and PCMCM (Plasma Chemistry Monte Carlo Model) to generate plasma properties and ion and neutral distribution functions for argon/fluorocarbon discharges in a GEC Reference Cell. These quantities are then input to the feature scale model, Simulation of Profile Evolution by Level Sets (SPELS). A surface chemistry model is used to determine the interaction of the incoming species with the substrate material and simulate the evolution of the trench profile. The impact of change of gas pressure and inductive power on the relative flux of CFx and F to the wafer, the etch and polymerization rates, and feature profiles will be examined. Comparisons to experimental profiles will also be presented.

Hwang, Helen↗

NASA NTRS1999

Ion Transport Modeling in Non-Collisional RF Sheaths

A reactor scale ICP plasma model does not adequately resolve the submillimeter scale rf sheaths due to severe disparities in length and times scales. These non-collisional sheaths determine the spread in the ion bombardment energy distribution on the wafer. Analytical models based on "damped potential" has been used by various authors to simplify sheath modeling. However, inherent in these models are some assumptions that may be invalid. In this work we show that simplifying assumptions such as a uniform ion flux may be in error by as much as 200% at 13.56MHz. This work involves solving ion transport in non-collisional rf sheaths. A comprehensive study of the dependence of ion flux and energy on uncertainties in the sheath-presheath (i.e. sheath thickness) boundary will also be done.

Meyyappan, M.↗

NASA NTRS1999

ICP Reactor Modeling: CF4 Discharge

Inductively coupled plasma (ICP) reactors are widely used now for etching and deposition applications due to their simpler design compared to other high density sources. Plasma reactor modeling has been playing an important role since it can, in principle, reduce the number of trial and error iterations in the design process and provide valuable understanding of mechanisms. Fluorocarbon precursors have been the choice for oxide etching. We have data available on CF4 from our laboratory. These are current voltage characteristics, La.ngmuir probe data, UV-absorption, and mass spectrometry measurements in a GEC-ICP reactor. We have developed a comprehensive model for ICP reactors which couples plasma generation and transport and neutral species dynamics with the gas flow equations. The model has been verified by comparison with experimental results for a nitrogen discharge in an ICP reactor. In the present work, the model has been applied to CF4 discharge and compared to available experimental data.

Bose, Deepak↗

NASA NTRS1998

Computational Modeling Program

An Integrated Product Team (IPT) has been formed at NASA Ames Research Center which has set objectives to investigate devices and processes suitable for meeting NASA requirements on ultrahigh performance computers, fast and low power devices, and high temperature wide bandgap materials. These devices may ultimately be sub-100nm feature-size. Processes and equipment must meet the stringent demands posed by the fabrication of such small devices. Until now, the reactors for Chemical Vapor Deposition (CVD) and plasma processes have been designed by trial and error procedures. Further, once the reactor is in place, optimum processing parameters are found through expensive and time-consuming experimentation. If reliable models are available that describe processes and the operation of the reactors, that chore would be reduced to a routine task while being a cost-effective option. The goal is to develop such a design tool, validate that tool using available data from current generation processes and reactors, and then use that tool to explore avenues for meeting NASA needs for ultrasmall device fabrication. Under the present grant, ARL/Penn State along with other IPT members has been developing models and computer code to meet IPT goals. Some of the accomplishments achieved during the first year of the grant are described in this report

Govindan, T. R.↗

NASA NTRS1998

Profile Evolution Simulation in Etching Systems Using Level Set Methods

Semiconductor device profiles are determined by the characteristics of both etching and deposition processes. In particular, a highly anisotropic etch is required to achieve vertical sidewalls. However, etching is comprised of both anisotropic and isotropic components, due to ion and neutral fluxes, respectively. In Ar/Cl2 plasmas, for example, neutral chlorine reacts with the Si surfaces to form silicon chlorides. These compounds are then removed by the impinging ion fluxes. Hence the directionality of the ions (and thus the ion angular distribution function, or IAD), as well as the relative fluxes of neutrals and ions determines the amount of undercutting. One method of modeling device profile evolution is to simulate the moving solid-gas interface between the semiconductor and the plasma as a string of nodes. The velocity of each node is calculated and then the nodes are advanced accordingly. Although this technique appears to be relatively straightforward, extensive looping schemes are required at the profile corners. An alternate method is to use level set theory, which involves embedding the location of the interface in a field variable. The normal speed is calculated at each mesh point, and the field variable is updated. The profile comers are more accurately modeled as the need for looping algorithms is eliminated. The model we have developed is a 2-D Level Set Profile Evolution Simulation (LSPES). The LSPES calculates etch rates of a substrate in low pressure plasmas due to the incident ion and neutral fluxes. For a Si substrate in an Ar/C12 gas mixture, for example, the predictions of the LSPES are identical to those from a string evolution model for high neutral fluxes and two different ion angular distributions.(2) In the figure shown, the relative neutral to ion flux in the bulk plasma is 100 to 1. For a moderately isotropic ion angular distribution function as shown in the cases in the left hand column, both the LSPES (top row) and rude's string method (bottom row) predict tapered profiles. The LSPES uses an AD with a FWHM = 13.5 degrees, and rude's model uses a ratio of sheath voltage to ion temperature of 50. The more anisotropic IADs produce profiles with more vertical sidewalls and a wider bottom surface, as shown in the right hand column. Here, the LSPES has an AD with a FWHM = 2 degrees, and rude's model uses a ratio of 500 of sheath voltage to ion temperature. The agreement between the LSPES and rude's model is excellent in both cases. We will present etching profiles generated by the LSPES, including calculations of the re-emitted fluxes of both neutrals and ions off of the profile walls. In addition, we will show the effect of geometric structures (overhangs, etc.) on the etching profiles. Other physical aspects, such as surface diffusion, will also be included in the model.

Hwang, Helen H.↗

NASA NTRS1998

A Coupled Plasma Dynamics and Gas Flow Model for Semiconductor Processing

A continuum modeling approach by self-consistently coupling plasma dynamics and gas flow will be presented for the analysis of high density plasma reactors. Experimental data shows that gas flow distribution affects the etch rate uniformity even at low pressures (6-20 mTorr) and flow rates (20-70 sccm). This study will investigate the effects of gas flow and gas energy on bulk plasma densities and temperatures using a continuum model. The model solves multidimensional equations of mass balance for neutrals and ions, gas momentum, separate energy equations for electrons and neutrals and Maxwell's equations for power coupling. A test case of N2 plasma in a 300mm TCP etch reactor, for which hybrid model and Langmuir probe data are available, is chosen for this analysis. Our preliminary results show that modeling gas flow and energy improves the predictions of electron density and its spatial variation in the reactor when compared with the experimental data. The aim of this study is to identify the operating conditions for the TCP reactor when a self-consistent modeling of gas flow is important.

Bose, Deepak↗

NASA NTRS1998

Electronic Properties of Carbon Nanotubes and Junctions

Metallic and semiconducting Single Wall Carbon Nanotubes (CNT) have recently been characterized using scanning tunneling microscopy (STM) and the manipulation of individual CNT has been demonstrated. These developments make the prospect of using CNT as molecular wires and possibly as electronic devices an even more interesting one. We have been modeling various electronic properties such as the density of states and the transmission coefficient of CNT wires and junctions. These studies involve first calculating the stability of junctions using molecular dynamics simulations and then calculating the electronic properties using a pi-electron tight binding Hamiltonian. We have developed the expertise to calculate the electronic properties of both finite-sized CNT and CNT systems with semi-infinite boundary conditions. In this poster, we will present an overview of some of our results. The electronic application of CNT that is most promising at this time is their use as molecular wires. The conductance can however be greatly reduced because of reflection due to defects and contacts. We have modeled the transmission through CNT in the presence of two types of defects: weak uniform disorder and strong isolated scatterers. We find that the conductance is affected in significantly different manners due to these defects Junctions of CNT have also been imaged using STM. This makes it essential to derive rules for the formation of junctions between tubes of different chirality, study their relative energies and electronic properties. We have generalized the rules for connecting two different CNT and have calculated the transmission and density of states through CNT junctions. Metallic and semiconducting CNT can be joined to form a stable junction and their current versus voltage characteristics are asymmetric. CNT are deformed by the application of external forces including interactions with a substrate or other CNT. In many experiments, these deformation are expected to occur naturally. We will present some preliminary results of our calculations of the modification of CNT electronic properties as a result of deformations.

Anantram, M. P.↗

NASA NTRS1998

Simulation of Etching Profiles Using Level Sets

Using plasma discharges to etch trenches and via holes in substrates is an important process in semiconductor manufacturing. Ion enhanced etching involves both neutral fluxes, which are isotropic, and ion fluxes, which are anisotropic. The angular distributions for the ions determines the degree of vertical etch, while the amount of the neutral fluxes determines the etch rate. We have developed a 2D profile evolution simulation which uses level set methods to model the plasma-substrate interface. Using level sets instead of traditional string models avoids the use of complicated delooping algorithms. The simulation calculates the etch rate based on the fluxes and distribution functions of both ions and neutrals. We will present etching profiles of Si substrates in low pressure (10s mTorr) Ar/Cl2 discharges for a variety of incident ion angular distributions. Both ion and neutral re-emission fluxes are included in the calculation of the etch rate, and their contributions to the total etch profile will be demonstrated. In addition, we will show RIE lag effects as a function of different trench aspect ratios. (For sample profiles, please see http://www.ipt.arc.nasa.gov/hwangfig1.html)

Hwang, Helen↗

NASA NTRS1997

Development of a Low-Reynolds Number, Nonlinear kappa-epsilon Model for the Reduced Navier-Stokes Equations

Previous work at NASA LeRC has shown that flow distortions in aircraft engine inlet ducts can be significantly reduced by mounting vortex generators, or small wing sections, on the inside surface of the engine inlet. The placement of the vortex generators is an important factor in obtaining the optimal effect over a wide operating envelope. In this regard, the only alternative to a long and expensive test program which would search out this optimal configuration is a good prediction procedure which could narrow the field of search. Such a procedure has been developed in collaboration with NASA LeRC, and results obtained by NASA personnel indicate that it shows considerable promise for predicting the viscous turbulent flow in engine inlet ducts in the presence of vortex generators. The prediction tool is a computer code which numerically solves the reduced Navier-Stokes equations and so is commonly referred to as RNS3D. Obvious deficiencies in RNS3D have been addressed in previous work. Primarily, it is known that the predictions of the mean velocity field of a turbulent boundary layer flow approaching separation are not in good agreement with data. It was suggested that the use of an algebraic mixing-length turbulence model in RNS3D is at least partly to blame for this. Additionally, the current turbulence model includes an assumption of isotropy which will ultimately fail to capture turbulence-driven secondary flow known to exist in noncircular ducts.

Boger, David A.↗

NASA NTRS1997

Predictive Modeling in Plasma Reactor and Process Design

Research continues toward the improvement and increased understanding of high-density plasma tools. Such reactor systems are lauded for their independent control of ion flux and energy enabling high etch rates with low ion damage and for their improved ion velocity anisotropy resulting from thin collisionless sheaths and low neutral pressures. Still, with the transition to 300 mm processing, achieving etch uniformity and high etch rates concurrently may be a formidable task for such large diameter wafers for which computational modeling can play an important role in successful reactor and process design. The inductively coupled plasma (ICP) reactor is the focus of the present investigation. The present work attempts to understand the fundamental physical phenomena of such systems through computational modeling. Simulations will be presented using both computational fluid dynamics (CFD) techniques and the direct simulation Monte Carlo (DSMC) method for argon and chlorine discharges. ICP reactors generally operate at pressures on the order of 1 to 10 mTorr. At such low pressures, rarefaction can be significant to the degree that the constitutive relations used in typical CFD techniques become invalid and a particle simulation must be employed. This work will assess the extent to which CFD can be applied and evaluate the degree to which accuracy is lost in prediction of the phenomenon of interest; i.e., etch rate. If the CFD approach is found reasonably accurate and bench-marked with DSMC and experimental results, it has the potential to serve as a design tool due to the rapid time relative to DSMC. The continuum CFD simulation solves the governing equations for plasma flow using a finite difference technique with an implicit Gauss-Seidel Line Relaxation method for time marching toward a converged solution. The equation set consists of mass conservation for each species, separate energy equations for the electrons and heavy species, and momentum equations for the gas. The sheath is modeled by imposing the Bohm velocity to the ions near the walls. The DSMC method simulates each constituent of the gas as a separate species which would be analogous in CFD to employing separate species mass, momentum, and energy equations. All particles including electrons are moved and allowed to collide with one another with the stipulation that the electrons remain tied to the ions consistent with the concept of ambipolar diffusion. The velocities of the electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. These benefits come at a price in terms of computational time and memory. The DSMC and CFD are made as consistent as possible by using similar chemistry and power deposition models. Although the comparison of CFD and DSMC is interesting, the main goal of this work is the increased understanding of high-density plasma flowfields that can then direct improvements in both techniques. This work is unique in the level of the physical models employed in both the DSMC and CFD for high-density plasma reactor applications. For example, the electrons are simulated in the present DSMC work which has not been done before for low temperature plasma processing problems. In the CFD approach, for the first time, the charged particle transport (discharge physics) has been self-consistently coupled to the gas flow and heat transfer.

Hash, D. B.↗

NASA NTRS1997

Transport in Carbon Nanotubes with Defects

The linear response conductance of a defect free carbon nanotube connected to ideal contacts is approximately 4e(sup 2)/h. In this paper, we first calculate the conductance characteristics of a uniform tube in the presence of an applied bias by assuring different forms of the potential drop across the wire. It is shown that for long tubes, the conduction mechanism involve a only the four non degenerate subands when the electric field drops slowly across the the tube. We then proceed to calculate the transmission and low bias conductance of tubes with defects. Here, we show that a weak uniform disorder in the tube does not cause a dramatic change in the conductance. However the presence of certain substitutional defects, the transmission coefficient versus energy develops a gap and this can cause a dramatic change in the low bias conductance. The effect of coherence is neglected.

Anatram, M. P.↗

NASA NTRS1994

CFD analyses for advanced pump design

As one of the activities of the NASA/MSFC Pump Stage Technology Team, the present effort was focused on using CFD in the design and analysis of high performance rocket engine pumps. Under this effort, a three-dimensional Navier-Stokes code was used for various inducer and impeller flow field calculations. An existing algebraic grid generation procedure was-extended to allow for nonzero blade thickness, splitter blades, and hub/shroud cavities upstream or downstream of the (main) blades. This resulted in a fast, robust inducer/impeller geometry/grid generation package. Problems associated with running a compressible flow code to simulate an incompressible flow were resolved; related aspects of the numerical algorithm (viz., the matrix preconditioning, the artificial dissipation, and the treatment of low Mach number flows) were addressed. As shown by the calculations performed under the present effort, the resulting code, in conjunction with the grid generation package, is an effective tool for the rapid solution of three-dimensional viscous inducer and impeller flows.

Dejong, F. J.↗

NASA NTRS1992

Computation of the flow field in a centrifugal impeller with splitter blades

To support the design effort of the Space Transportation Main Engine (STME) Fuel Pump Stage, viscous flow calculations were performed in a centrifugal impeller with splitter blades. These calculations were carried out with a Navier-Stokes solver (MINT), which employs a linearized block-implicit Alternating Direction Implicit (ADI) procedure to iteratively solve a finite difference form of the system of conservation equations of mass, momentum, and energy in body-fitted coordinates. A computational grid was generated algebraically for the 'channel' between two main blades of the impeller and extended both upstream of the impeller inlet and downstream of the impeller exit so that the appropriate boundary conditions could be applied. The results of the calculations show that although the overall level of flow distortion near the impeller exit is not very large, there is a noticeable difference between the flow patterns in the two 'passages' (one passage between the pressure side of the splitter blade and the suction side of the next full blade).

Dejong, Frederik J.↗

NASA NTRS1988

A space-marching method for the computation of viscous internal flows

A space-marching method has been developed to compute 3-D viscous flows in internal geometries. The Navier-Stokes equations have been posed as an initial-value problem by neglecting the effects of streamwise diffusion and treating the streamwise pressure gradient as a known source term. The fully coupled system of equations has been solved by a noniterative algorithm at each streamwise step of the computation. A low Mach number formulation of the equations has been used to compute incompressible flow fields. A computer program has been written to implement all aspects of the space-marching algorithm. The program is modular and is easily adapted to the widely varying geometries of internal flows. The space-marching algorithm has been tested by computing simple flows with known analytical solutions. The method has been used to predict complex 3-D turbulent flows. The algorithm is stable and very economical. A single sweep of the flow field by the space-marching method is approximately equivalent to one time-step of the time-marching method.

Govindan, T. R.↗