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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8

Direct simulation of diatomic gases using the generalized hard sphere model

The generalized hard sphere model which incorporates the effects of attraction and repulsion is used to predict flow measurements in tests involving extremely low freestream temperatures. For the two cases considered, a Mach 26 nitrogen shock and a Mach 20 nitrogen flow over a flat place, only rotational excitation is deemed important, and appropriate modifications for the Borgnakke-Larsen procedure are developed. In general, for the cases considered, the present model performed better than the variable hard sphere model.

Hash, D. B.↗

A generalized hard-sphere model for Monte Carlo simulation

A new molecular model, called the generalized hard-sphere, or GHS model, is introduced. This model contains, as a special case, the variable hard-sphere model of Bird (1981) and is capable of reproducing all of the analytic viscosity coefficients available in the literature that are derived for a variety of interaction potentials incorporating attraction and repulsion. In addition, a new procedure for determining interaction potentials in a gas mixture is outlined. Expressions needed for implementing the new model in the direct simulation Monte Carlo methods are derived. This development makes it possible to employ interaction models that have the same level of complexity as used in Navier-Stokes calculations.

Hassan, H. A.↗

Role of Boundary Conditions in Monte Carlo Simulation of MEMS Devices

A study is made of the issues surrounding prediction of microchannel flows using the direct simulation Monte Carlo method. This investigation includes the introduction and use of new inflow and outflow boundary conditions suitable for subsonic flows. A series of test simulations for a moderate-size microchannel indicates that a high degree of grid under-resolution in the streamwise direction may be tolerated without loss of accuracy. In addition, the results demonstrate the importance of physically correct boundary conditions, as well as possibilities for reducing the time associated with the transient phase of a simulation. These results imply that simulations of longer ducts may be more feasible than previously envisioned.

Nance, Robert P.↗

Plasma Reactor Modeling and Validation Experiments

Plasma processing is a key processing stop in integrated circuit manufacturing. Low pressure, high density plum reactors are widely used for etching and deposition. Inductively coupled plasma (ICP) source has become popular recently in many processing applications. In order to accelerate equipment and process design, an understanding of the physics and chemistry, particularly, plasma power coupling, plasma and processing uniformity and mechanism is important. This understanding is facilitated by comprehensive modeling and simulation as well as plasma diagnostics to provide the necessary data for model validation which are addressed in this presentation. We have developed a complete code for simulating an ICP reactor and the model consists of transport of electrons, ions, and neutrals, Poisson's equation, and Maxwell's equation along with gas flow and energy equations. Results will be presented for chlorine and fluorocarbon plasmas and compared with data from Langmuir probe, mass spectrometry and FTIR.

Meyyappan, M.↗

Simulation and Experimental Measurements of Inductively Coupled CF4 and CF4/Ar Plasmas

The recently developed code SEMS (semiconductor equipment modeling software)is applied to the simulation of CF4 and CF4/Ar inductively coupled plasmas (ICP). This work builds upon the earlier nitrogen, transformer coupled plasma (TCP) SEMS research by demonstrating its accuracy for more complex reactive mixtures, moving closer to the realization of a virtual plasma reactor. Attention is given to the etching of and/or formation of carbonaceous films on the quartz dielectric window and diagnostic aperatures. The simulations are validated through comparisons with experimental measurements using FTIR (Fourier Transform Infrared) and UV absorption spectroscopy for CFx and SiFx neutral radicals, QMS (quadrupole mass spectrometry) for the ions, and Langmuir probe measurements of electron number density and temperature in an ICP GEC reference cell.

Hash, D. B.↗

Plasma CVD of Carbon Nanotubes

Carbon nanotubes(CNT) exhibit remarkable mechanical and unique electronic properties and thus have created excitement in the research community about their potential in electronics, computing, sensor and structural applications. Realization of these applications critically depends on the ability to control the properties(such as diameter, chirality) as well purity. We have investigated CNT growth using an inductively coupled plasma(ICP) process using hydrocarbon feedstock. The catalyst required for nanotube growth consists of thin sputtered layers of aluminum and iron(10 nm each) and aligned carbon nanotubes have been obtained. Optical emission diagnostics as well as a plasma modeling effort have been undertaken to understand growth mechanisms. This presentation will discuss growth characteristics under various pressure, power and feedgas compositions and our understanding from modeling and diagnostics.

Delzeit, Lance↗

Impact of Gas Heating in Inductively Coupled Plasmas

Recently it has been recognized that the neutral gas in inductively coupled plasma reactors heats up significantly during processing. The resulting gas density variations across the reactor affect reaction rates, radical densities, plasma characteristics, and uniformity within the reactor. A self-consistent model that couples the plasma generation and transport to the gas flow and heating has been developed and used to study CF4 discharges. A Langmuir probe has been used to measure radial profiles of electron density and temperature. The model predictions agree well with the experimental results. As a result of these comparisons along with the poorer performance of the model without the gas-plasma coupling, the importance of gas heating in plasma processing has been verified.

Hash, D. B.↗

Characterization of Showerhead Performance At Low Pressure

The overall objective of this work is to characterize the flow to rough showerheads by deriving pressure drop versus velocity correlations to at can be then used in reactor scale simulations where the showerhead is approximated as a porous medium. At relatively low Reynolds numbers (less than 1-10 based on the hole length scale) and in the absence of slip flow, Darcy's Law, grad P = mu U/k, can be used to express the relation between the pressure drop and velocity where @mu@ is the fluid viscosity and it is the permeability that can be theoretically predicted as k= e R^2 /8, where e is the porosity. However, at sufficiently small hole diameters and decreased pressures (less than 5 Torr), the Knudsen number based on showerhead tube radius increases, and the flow may be in a transition regime. Different expressions have been proposed to account for this effect in the permeability by expressing k as a function of either pressure or Knudsen number. But at even higher Knudsen numbers, the pressure drop - velocity dependence is non-linear, and Darcy's Law no longer holds such that a permeability cannot be defined. The direct simulation Monte Carlo method is used along side conventional CFD techniques to determine the extent to which the CFD technique is appropriate and helps to derive correlations for the more rarefied cases of interest in these showerhead flows.

Hash, David B.↗

A DSMC Study of Low Pressure Argon Discharge

Work toward a self-consistent plasma simulation using the DSMC (Direct Simulation Monte Carlo) method for examination of the flowfields of low-pressure high density plasma reactors is presented. Presently, DSMC simulations for these applications involve either treating the electrons as a fluid or imposing experimentally determined values for the electron number density profile. In either approach, the electrons themselves are not physically simulated. Self-consistent plasma DSMC simulations have been conducted for aerospace applications but at a severe computational cost due in part to the scalar architectures on which the codes were employed. The present work attempts to conduct such simulations at a more reasonable cost using a plasma version of the object-oriented parallel Cornell DSMC code, MONACO, on an IBM SP-2. Due to availability of experimental data, the GEC reference cell is chosen to conduct preliminary investigations. An argon discharge is chosen to conduct preliminary investigations. An argon discharge is examined thus affording a simple chemistry set with eight gas-phase reactions and five species: Ar, Ar(+), Ar(*), Ar(sub 2), and e where Ar(*) is a metastable.

Hash, David B.↗

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.↗

High-Density Plasma Reactors: Simulations for Design

The development of improved and more efficient plasma reactors is a costly process for the semiconductor industry. Until five years ago, the Industry made most of its advancements through a trial and error approach. More recently, the role of computational modeling in the design process has increased. Both conventional computational fluid dynamics (CFD) techniques like Navier-Stokes solvers as well as particle simulation methods are used to model plasma reactor flowfields. However, since high-density plasma reactors generally operate at low gas pressures on the order of 1 to 10 mTorr, a particle simulation may be necessary because of the failure of CFD techniques to model rarefaction effects. The direct simulation Monte Carlo method is the most widely accepted and employed particle simulation tool and has previously been used to investigate plasma reactor flowfields. A plasma DSMC code is currently under development at NASA Ames Research Center with its foundation as the object-oriented parallel Cornell DSMC code, MONACO. The present investigation is a follow up of a neutral flow investigation of the effects of process parameters as well as reactor design on etch rate and etch rate uniformity. The previous work concentrated on silicon etch of a chlorine flow in a configuration typical of electron cyclotron resonance (ECR) or helical resonator type reactors. The effects of the plasma on the dissociation chemistry were modeled by making assumptions about the electron temperature and number density. The electrons or ions themselves were not simulated.The present work extends these results by simulating the charged species.The electromagnetic fields are calculated such that power deposition is modeled self-consistently. Electron impact reactions are modeled along with mechanisms for charge exchange. An bipolar diffusion assumption is made whereby electrons remain tied to the ions. However, the velocities of tile electrons are allowed to be modified during collisions and are not confined to a Maxwellian distribution. The interaction between the neutral flow and plasma is examined, and results for etch rate uniformity from the previous research and the present plasma simulations are compared.

Hash, David B.↗

Simulation of the dc Plasma in Carbon Nanotube Growth

A model for the dc plasma used in carbon nanotube growth is presented, and one-dimensional simulations of an acetylene/ammonia/argon system are performed. The effect of dc bias is illustrated by examining electron temperature, electron and ion densities, and neutral densities. Introducing a tungsten filament in the dc plasma, as in hot filament chemical vapor deposition with plasma assistance, shows negligible influence on the system characteristics.

Hash, David↗

A Monte Carlo Sensitivity Analysis of CF2 and CF Radical Densities in a c-C4F8 Plasma

A Monte Carlo sensitivity analysis is used to build a plasma chemistry model for octacyclofluorobutane (c-C4F8) which is commonly used in dielectric etch. Experimental data are used both quantitatively and quantitatively to analyze the gas phase and gas surface reactions for neutral radical chemistry. The sensitivity data of the resulting model identifies a few critical gas phase and surface aided reactions that account for most of the uncertainty in the CF2 and CF radical densities. Electron impact dissociation of small radicals (CF2 and CF) and their surface recombination reactions are found to be the rate-limiting steps in the neutral radical chemistry. The relative rates for these electron impact dissociation and surface recombination reactions are also suggested. The resulting mechanism is able to explain the measurements of CF2 and CF densities available in the literature and also their hollow spatial density profiles.

Bose, Deepak↗

The Role of Plasma in Plasma Enhanced Chemical Vapour Deposition of Nanostructure Growth

Chemical vapour deposition (CVD) has become the preferred process for high yield growth of carbon nanotubes and nanofibres because of its ability to pattern growth through lithographic positioning of transition metal catalysts on substrates. Many potential applications of nanotubes such as field emitters [1] require not only patterned growth but also vertical alignment. Some degree of ali,ment in thermal CVD processes can be obtained when carbon nanotubes are grown closely together as a result of van der Waals interactions. The ali,onment however is marginal, and the van der Waals prerequisite makes growth of freestanding nanofibres with thermal CVD unrealizable. The application of electric fields as a means of ali,onment has been shown to overcome this limitation [2-5], and highly aligned nanostructures can be grown if electric fields on the order of 0.5 V/microns are employed. Plasma enhanced CVD in various configurations including dc, rf, microwave, inductive and electron cyclotron resonance has been pursued as a means of enabling alignment in the CVD process. However, the sheath fields for the non-dc sources are in general not sufficient for a high degree of ali,pment and an additional dc bias is usually applied to the growth substrate. This begs the question as to the actual role of the plasma. It is clear that the plasma itself is not required for aligned growth as references [3] and [4] employed fields through small applied voltages (3-20 V) across very small electrode spacings (10-100 microns) and thus avoided striking a discharge.

Hash, David B.↗

Modeling of Sheath Ion-Molecule Reactions in Plasma Enhanced Chemical Vapor Deposition of Carbon Nanotubes

In many plasma simulations, ion-molecule reactions are modeled using ion energy independent reaction rate coefficients that are taken from low temperature selected-ion flow tube experiments. Only exothermic or nearly thermoneutral reactions are considered. This is appropriate for plasma applications such as high-density plasma sources in which sheaths are collisionless and ion temperatures 111 the bulk p!asma do not deviate significantly from the gas temperature. However, for applications at high pressure and large sheath voltages, this assumption does not hold as the sheaths are collisional and ions gain significant energy in the sheaths from Joule heating. Ion temperatures and thus reaction rates vary significantly across the discharge, and endothermic reactions become important in the sheaths. One such application is plasma enhanced chemical vapor deposition of carbon nanotubes in which dc discharges are struck at pressures between 1-20 Torr with applied voltages in the range of 500-700 V. The present work investigates The importance of the inclusion of ion energy dependent ion-molecule reaction rates and the role of collision induced dissociation in generating radicals from the feedstock used in carbon nanotube growth.

Hash, David B.↗

Carbon Nanotubes/Nanofibers by Plasma Enhanced Chemical Vapour Deposition

Plasma enhanced chemical vapour deposition (PECVD) has been recently used for the production of vertically aligned carbon nanotubedfibers (CN) directly on substrates. These structures are potentially important technologically as electron field emitters (e.g. microguns, microwave amplifiers, displays), nanoelectrodes for sensors, filter media, superhydrophobic surfaces and thermal interface materials for microelectronics. A parametric study on the growth of CN grown by glow discharge dc-PECVD is presented. In this technique, a substrate containing thin film Ni catalyst is exposed to C2H2 and NH3 gases at 700 C. Without plasma, this process is essentially thermal CVD which produces curly spaghetti-like CN as seen in Fig. 1 (a). With the plasma generated by biasing the substrate at -6OOV, we observed that the CN align vertically during growth as shown in Fig. l(b), and that the magnitude of the applied substrate bias affects the degree of alignment. The thickness of the thin film Ni catalyst was found to determine the average diameter and inversely the length of the CN. The yield and density of the CN were controlled by the use of different diffusion barrier materials under the Ni catalyst. Patterned CN growth [Fig. l(c)], with la variation in CN diameter of 4.1% and 6.3% respectively, is achieved by lithographically defining the Ni thin film prior to growth. The shape of the structures could be varied from very straight nanotube-like to conical tip-like nanofibers by increasing the ratio of C2H2 in the gas flow. Due to the plasma decomposition of C2H2, amorphous carbon (a-C) is an undesirable byproduct which could coat the substrate during CN growth. Using a combination of depth profiled Auger electron spectroscopy to study the substrate and in-situ mass spectroscopy to examine gas phase neutrals and ions, the optimal conditions for a-C free growth of CN is determined.

Teo, K. B. K.↗