Effects of Thermocapillary Convection on the Growth Process in Industrial 8-inch Silicon Czochralski Growth

Czochralski (CZ) crystal growth process is a widely used technique in manufacturing of silicon crystals and other semiconductor materials. The ultimate goal of the IC industry is to have the highest quality substrates, which are free of point defect, impurities and micro defect clusters. The scale up of silicon wafer size from 200 mm to 300 mm requires large crucible size and more heat power. Transport phenomena in crystal growth processes are quite complex due to melt and gas flows that may be oscillatory and/or turbulent, coupled convection and radiation, impurities and dopant distributions, unsteady kinetics of the growth process, melt crystal interface dynamics, free surface and meniscus, stoichiometry in the case of compound materials. A global model has been developed to simulate the temperature distribution and melt flow in an 8-inch system. The present program features the fluid convection, magnetohydrodynamics, and radiation models. A multi-zone method is used to divide the Cz system into different zones, e.g., the melt, the crystal and the hot zone. For calculation of temperature distribution, the whole system inside the stainless chamber is considered. For the convective flow, only the melt is considered. The widely used zonal method divides the surface of the radiation enclosure into a number of zones, which has a uniform distribution of temperature, radiative properties and composition. The integro-differential equations for the radiative heat transfer are solved using the matrix inversion technique. The zonal method for radiative heat transfer is used in the growth chamber, which is confined by crystal surface, melt surface, heat shield, and pull chamber. Free surface and crystal/melt interface are tracked using adaptive grid generation. The competition between the thermocapillary convection induced by non-uniform temperature distributions on the free surface and the forced convection by the rotation of the crystal determines the interface shape, dopant distribution, and striation pattern. The temperature gradients on the free surface are influenced by the effects of the thermocapillary force on the free surface and the rotation of the crystal and the crucible.

Dendritic Superstructures and Structure Transitions of Asymmetric Poly(L-lactide-b-ethylene oxide) Diblock Copolymer Thin films

The evolution of morphologies of isothermally crystallized thin films with different thicknesses of poly(L-lactide-bethylene oxide) diblock copolymer was observed by optical microscopy (OM) and atomic force microscopy (AFM). Dendritic superstructures stacked with lamellae were investigated in thin films with similar to 200 nm to similar to 400 nm thickness. The lamellar structure was a lozenge- or truncated-lozenge-shaped single crystal of PLLA confirmed by AFM observations. The contour of the dendritic superstructures is hexagonal, and two types of sectors, [110] and [100], can be classified in terms of the chain-folding and crystal growth directions. These phenomena Are due to the interplay of the crystallization of the PLLA block, the microphase separation of the block copolymer, and the effect of the film thickness.

Inhibition of thin polystyrene film dewetting via phase separation

By addition of a small amount of poly(methyl methacrylate) (PMMA) into polystyrene (PS), we present a novel approach to inhibit the dewetting process of thin PS film through phase separation of the off-critical polymer mixture (PS/PMMA). Owing to the preferential segregation of PMMA to the solid SiOx substrate, a nanometer thick layer, rich in PMMA phase, is formed. It is this diffusive PMMA-rich phase layer near the substrate that alters the dewetting behavior of the PS film. The degree of inhibition of dewetting depends on the concentration and molecular weight of PMMA component. PMMA with low (15.9k) and intermediate (102.7k) molecular weight stabilizes the films more effectively than that with a higher molecular weight (387k).

Diffusion and single molecule dynamics on biomolecular interface binding energy landscape

We propose a new approach to study the diffusion dynamics on biomolecular interface binding energy landscape. The resulting mean first passage time (MFPT) has 'U'curve dependence on the temperature. It is shown that the large specificity ratio of gap to roughness of the underlying binding energy landscape not only guarantees the thermodynamic stability and the specificity [P.A. Rejto, G.M. Verkhivker, in: Proc. Natl. Acad. Sci. 93 (1996) 8945; C.J. Tsai, S. Kumar, B. Ma, R. Nussinov, Protein Sci. 8 (1999) 1181; G.A. Papoian, P.G. Wolynes, Biopolymers 68 (2003) 333; J. Wang, G.M. Verkhivker, Phys. Rev. Lett. 90 (2003) 198101] but also the kinetic accessibility. The complex kinetics and the associated fluctuations reflecting the structures of the binding energy landscape emerge upon temperature changes. The theory suggests a way of connecting the models/simulations with single molecule experiments by analysing the kinetic trajectories.

Forced Dissociation of Selectin-ligand Complexes Using Steered Molecular Dynamics Simulation

Selectin-ligand interactions are crucial to such biological processes as inflammatory cascade or tumor metastasis. How transient formation and dissociation of selectin-ligand bonds in blood flow are coupled to molecular conformation at atomic level, however, has not been well understood. In this study, steered molecular dynamics (SMD) simulations were used to elucidate the intramolecular and intermolecular conformational evolutions involved in forced dissociation of three selectin-ligand systems: the construct consisting of P-selectin lectin (Lec) and epidermal growth factor (EGF)-like domains (P-LE) interacting with synthesized sulfoglycopeptide or SGP-3, P-LE with sialyl Lewis X (sLeX), and E-LE with sLeX. SMD simulations were based on newly built-up force field parameters including carbohydrate units and sulfated tyrosine(s) using an analogy approach. The simulations demonstrated that the complex dissociation was coupled to the molecular extension. While the intramolecular unraveling in P-LESGP-3 system mainly resulted from the destroy of the two anti-parallel sheets of EGF domain and the breakage of hydrogen-bond cluster at the Lec-EGF interface, the intermolecular dissociation was mainly determined by separation of fucose (FUC) from Ca2+ ion in all three systems. Conformational changes during forced dissociations depended on pulling velocities and forces, as well as on how the force was applied. This work provides an insight into better understanding of conformational changes and adhesive functionality of selectin-ligand interactions under external forces.

Bubble Dynamics In Nucleate Pool Boiling On Thin Wires In Microgravity

A temperature-controlled pool boiling (TCPB) device has been developed to study the bubble behavior and heat transfer in pool boiling phenomenon both in normal gravity and in microgravity. A thin platinum wire of 60 mu m in diameter and 30 mm in length is simultaneously used as heater and thermometer. The fluid is R113 at 0.1 MPa and subcooled by 26 degrees C nominally for all cases. Three modes of heat transfer, namely single-phase natural convection, nucleate boiling, and two-mode transition boiling, are observed in the experiment both in microgravity aboard the 22nd Chinese recoverable satellite and in normal gravity on the ground before and after the space flight. Dynamic behaviors of vapor bubbles observed in these experiments are reported and analyzed in the present paper. In the regime of fully developed nucleate boiling, the interface oscillation due to coalescence of adjacent tiny bubbles is the primary reason of the departure of bubbles in microgravity. On the contrary, in the discrete bubble regime, it's observed that there exist three critical bubble diameters in microgravity, dividing the whole range of the observed bubbles into four regimes. Firstly, tiny bubbles are continually forming and growing on the heating surface before departing slowly from the wire when their sizes exceed some value of the order of 10(-1) mm. The bigger bubbles with about several millimeters in diameter stay on the wire, oscillate along the wire, and coalesce with adjacent bubbles. The biggest bubble with diameter of the order of 10 mm, which was formed immediately after the onset of boiling, stays continuously

Size-Dependent Interface Phonon Transmission And Thermal Conductivity Of Nanolaminates

An analytical model for size-dependent interface phonon transmission and thermal conductivity of nanolaminates is derived based on the improved acoustic mismatch theory and the Lindemann melting theory by considering the size effect of phonon velocity and the interface lattice mismatch effect. The model suggests that the interface phonon transmission is dominant for the cross-plane thermal conductivity of nanolaminates and superlattices, and the intrinsic variety of size effect of thermal conductivity for different systems is proposed based on the competition mechanism of size effect of phonon transport between two materials constituting the interfaces. The model's prediction for thermal conductivity of nanolaminates agrees with the experimental results. (C) 2008 American Institute of Physics.

The Convective Instabilities in a Liquid-Vapor System with a Non-equilibrium Evaporation Interface

Rayleigh-Marangoni-B,nard instability in a system consisting of a horizontal liquid layer and its own vapor has been investigated. The two layers are separated by a deformable evaporation interface. A linear stability analysis is carried out to study the convective instability during evaporation. In previous works, the interface is assumed to be under equilibrium state. In contrast with previous works, we give up the equilibrium assumption and use Hertz-Knudsen's relation to describe the phase change under non-equilibrium state. The influence of Marangoni effect, gravitational effect, degree of non-equilibrium and the dynamics of the vapor on the instability are discussed.

Nitrogen dynamics in large shallow eutrophic Lake Chaohu, China

Temporal and spatial dynamics of nitrogen in lake and interstitial water were studied monthly in a large shallow, eutrophic lake in subtropical China from October 2002 to September 2003. The distribution of nitrogen was consistent with the idea that high nitrogen concentrations in the western part of the lake resulted from high levels of the nutrients from the surrounding cities through sewage-drainage systems. Nitrate was the predominant form of nitrogen in the overlying water, while ammonium was predominant in the interstitial water, indicating that strong oxidative nutrient regeneration occurred near the sediment-water interface. Nitrate could be an important dissolved inorganic matter source for phytoplankton, which in turn influenced the seasonal variations of nitrate concentrations in lake water. Significant positive correlation between ammonium fluxes and water temperature was observed and could probably be attributed to the intensified ammonification and nitrate reduction with increased temperature. Positive correlation between ammonium fluxes and algae biomass and Chl a concentrations may indicate that phytoplankton was an important factor driving ammonium fluxes in our study lake, and vice versa that higher fluxes of ammonium supported a higher biomass of the phytoplankton.

Origin of insulating behavior of the p-type LaAlO3/SrTiO3 interface: Polarization-induced asymmetric distribution of oxygen vacancies

It is revealed from first-principles calculations that polarization-induced asymmetric distribution of oxygen vacancies plays an important role in the insulating behavior at p-type LaAlO3/SrTiO3 interface. The formation energy of the oxygen vacancy (V-O) is much smaller than that at the surface of the LaAlO3 overlayer, causing all the carriers to be compensated by the spontaneously formed V-O's at the interface. In contrast, at an n-type interface, the formation energy of V-O is much higher than that at the surface, and the V-O's formed at the surface enhance the carrier density at the interface. This explains the puzzling behavior of why the p-type interface is always insulating but the n-type interface can be conducting.

Modeling the dynamics of Si wafer bonding during annealing

The bonding behavior of silicon wafers depends on activation energy for the formation of siloxane bonds. In this article we developed a quantitative model on the dynamics of silicon wafer bonding during annealing. Based on this model, a significant difference in the bonding behaviors is compared quantitatively between the native oxide bonding interface and the thermal oxide bonding interface. The results indicate that the bonding strength of the native oxide interface increases with temperature much more rapidly than that of the thermal oxide interface. (C) 2000 American Institute of Physics. [S0021-8979(00)05520-1].

Dynamics of Multi-Stage Bladed Disks Systems

This paper presents a new and original method for dynamical analysis of multistage cyclic structures such as turbomachinery compressors or turbines. Each stage is modeled cyclically by its elementary sector and the interstage coupling is achieved through a cyclic recombination of the interface degrees of freedom. This method is quite simple to set up; it allows us to handle the finite element models of each stage's sector directly and, as in classical cyclic symmetry analysis, to study the nodal diameter problems separately. The method is first validated on a simple case study which shows good agreements with a complete 360 deg reference calculation. An industrial example involving two HP compressor stages is then presented. Then the forced response application is presented in which synchronous engine order type excitations are considered.

A New Criterion Number for the Boundary Conditions at the Solid/Liquid Interface in Nanoscale

A simple, but important three-atom model was proposed at the solid/liquid interface, leading to a new criterion number, lambda, governing the boundary conditions (BCs) in nanoscale. The solid wall is considered as the face-centered-cubic (fcc) structure. The fluid is the liquid argon with the well-known LJ potential. Based on the concept, the two micro-systems have the same BCs if they have The same criterion number. The degree of the locking BCs is enhanced when lambda equals to 0.757. Such critical criterion number results in the substantial epitaxial ordering and one, two, or even three liquid layers are locked by the solid wall, depending on the coupling energy scale ratio of the solid and liquid atoms. With deviation from the critical criterion number, the flow approaches the slip BCs and there are little ordering structures within the liquid. Always at the same criterion number, the degree of the slip is decreased or the locking is enhanced with increasing the coupling energy scale ratio of the solid and liquid atoms. The above analysis is well confirmed by the molecular dynamics (MD) simulation. The slip length is well correlated in terms of the new criterion number. The future work is suggested to extend the present theory for other microstructures of the solid wall atoms and quasi-LJ potentials.

Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored.