One-Dimensional Ablation with Pyrolysis Gas Flow Using a Full Newton's Method and Finite Control Volume Procedure

The development and verification of a one-dimensional material thermal response code with ablation is presented. The implicit time integrator, control volume finite element spatial discretization, and Newton's method for nonlinear iteration on the entire system of residual equations have been implemented and verified for the thermochemical ablation of internally decomposing materials. This study is a continuation of the work presented in "One-Dimensional Ablation with Pyrolysis Gas Flow Using a Full Newton's Method and Finite Control Volume Procedure" (AIAA-2006-2910), which described the derivation, implementation, and verification of the constant density solid energy equation terms and boundary conditions. The present study extends the model to decomposing materials including decomposition kinetics, pyrolysis gas flow through the porous char layer, and a mixture (solid and gas) energy equation. Verification results are presented for the thermochemical ablation of a carbon-phenolic ablator which involves the solution of the entire system of governing equations

Immobilization of active human carboxylesterase 1 in biomimetic silica nanoparticles

The encapsulation of proteins in biomimetic silica has recently been shown to successfully maintain enzymes in their active state. Organophosphate (OP) compounds are employed as pesticides as well as potent chemical warfare nerve agents. Because these toxicants are life threatening, we sought to generate biomimetic silicas capable of responding to OPs. Here, we present the silica encapsulation of human drug metabolism enzyme carboxylesterase 1 (hCE1) in the presence of a range of catalysts. hCE1 was successfully encapsulated into silica particles when lysozyme or the peptide R5 were used as catalysts; in contrast, polyethyleneimine (PEI), a catalyst employed to encapuslate other enzymes, did not facilitate hCE1 entrapment. hCE1 silica particles in a column chromatography format respond to the presence of the organophosphate (OP) pesticides paraoxon and dimethyl-p-nitrophenyl phosphate in solution. These results may lead to novel approaches to detect OP pesticides or other weaponized agents that bind hCE1

Large Eddy/Reynolds-Averaged Navier-Stokes Simulations of CUBRC Base Heating Experiments

ven with great advances in computational techniques and computing power during recent decades, the modeling of unsteady separated flows, such as those encountered in the wake of a re-entry vehicle, continues to be one of the most challenging problems in CFD. Of most interest to the aerothermodynamics community is accurately predicting transient heating loads on the base of a blunt body, which would result in reduced uncertainties and safety margins when designing a re-entry vehicle. However, the prediction of heat transfer can vary widely depending on the turbulence model employed. Therefore, selecting a turbulence model which realistically captures as much of the flow physics as possible will result in improved results. Reynolds Averaged Navier Stokes (RANS) models have become increasingly popular due to their good performance with attached flows, and the relatively quick turnaround time to obtain results. However, RANS methods cannot accurately simulate unsteady separated wake flows, and running direct numerical simulation (DNS) on such complex flows is currently too computationally expensive. Large Eddy Simulation (LES) techniques allow for the computation of the large eddies, which contain most of the Reynolds stress, while modeling the smaller (subgrid) eddies. This results in models which are more computationally expensive than RANS methods, but not as prohibitive as DNS. By complimenting an LES approach with a RANS model, a hybrid LES/RANS method resolves the larger turbulent scales away from surfaces with LES, and switches to a RANS model inside boundary layers. As pointed out by Bertin et al., this type of hybrid approach has shown a lot of promise for predicting turbulent flows, but work is needed to verify that these models work well in hypersonic flows. The very limited amounts of flight and experimental data available presents an additional challenge for researchers. Recently, a joint study by NASA and CUBRC has focused on collecting heat transfer data on the backshell of a scaled model of the Orion Multi-Purpose Crew Vehicle (MPCV). Heat augmentation effects due to the presence of cavities and RCS jet firings were also investigated. The high quality data produced by this effort presents a new set of data which can be used to assess the performance of CFD methods. In this work, a hybrid LES/RANS model developed at North Carolina State University (NCSU) is used to simulate several runs from these experiments, and evaluate the performance of high fidelity methods as compared to more typical RANS models.

Strong-coupling behaviour in discrete Kardar-Parisi-Zhang equations

We present a systematic discretization scheme for the Kardar-Parisi-Zhang (KPZ) equation, which correctly captures the strong-coupling properties of the continuum model. In particular we show that the scheme contains no finite-time singularities in contrast to conventional schemes. The implications of these results to i) previous numerical integration of the KPZ equation, and ii) the non-trivial diversity of universality classes for discrete models of `KPZ-type' are examined. The new scheme makes the strong-coupling physics of the KPZ equation more transparent than the original continuum version and allows the possibility of building new continuum models which may be easier to analyse in the strong-coupling regime.Comment: 21 pages, revtex, 2 figures, submitted to J. Phys.

Super-roughening versus intrinsic anomalous scaling of surfaces

In this paper we study kinetically rough surfaces which display anomalous scaling in their local properties such as roughness, or height-height correlation function. By studying the power spectrum of the surface and its relation to the height-height correlation, we distinguish two independent causes for anomalous scaling. One is super-roughening (global roughness exponent larger than or equal to one), even if the spectrum behaves non anomalously. Another cause is what we term an intrinsically anomalous spectrum, in whose scaling an independent exponent exists, which induces different scaling properties for small and large length scales (that is, the surface is not self-affine). In this case, the surface does not need to be super-rough in order to display anomalous scaling. In both cases, we show how to extract the independent exponents and scaling relations from the correlation functions, and we illustrate our analysis with two exactly solvable examples. One is the simplest linear equation for molecular beam epitaxy , well known to display anomalous scaling due to super-roughening. The second example is a random diffusion equation, which features anomalous scaling independent of the value of the global roughness exponent below or above one.Comment: 9 pages, 6 figures, Revtex (uses epsfig), Phys. Rev. E, submitte

Scaling Approach to Calculate Critical Exponents in Anomalous Surface Roughening

We study surface growth models exhibiting anomalous scaling of the local surface fluctuations. An analytical approach to determine the local scaling exponents of continuum growth models is proposed. The method allows to predict when a particular growth model will have anomalous properties ($\alpha \neq \alpha_{loc}$) and to calculate the local exponents. Several continuum growth equations are examined as examples.Comment: RevTeX, 4 pages, no figs. To appear in Phys. Rev. Let

Crossover effects in a discrete deposition model with Kardar-Parisi-Zhang scaling

We simulated a growth model in 1+1 dimensions in which particles are aggregated according to the rules of ballistic deposition with probability p or according to the rules of random deposition with surface relaxation (Family model) with probability 1-p. For any p>0, this system is in the Kardar-Parisi-Zhang (KPZ) universality class, but it presents a slow crossover from the Edwards-Wilkinson class (EW) for small p. From the scaling of the growth velocity, the parameter p is connected to the coefficient of the nonlinear term of the KPZ equation, lambda, giving lambda ~ p^gamma, with gamma = 2.1 +- 0.2. Our numerical results confirm the interface width scaling in the growth regime as W ~ lambda^beta t^beta, and the scaling of the saturation time as tau ~ lambda^(-1) L^z, with the expected exponents beta =1/3 and z=3/2 and strong corrections to scaling for small lambda. This picture is consistent with a crossover time from EW to KPZ growth in the form t_c ~ lambda^(-4) ~ p^(-8), in agreement with scaling theories and renormalization group analysis. Some consequences of the slow crossover in this problem are discussed and may help investigations of more complex models.Comment: 16 pages, 7 figures; to appear in Phys. Rev.

Kinetic Roughening in Surfaces of Crystals Growing on Disordered Substrates

Substrate disorder effects on the scaling properties of growing crystalline surfaces in solidification or epitaxial deposition processes are investigated. Within the harmonic approach there is a phase transition into a low-temperature (low-noise) superrough phase with a continuously varying dynamic exponent z>2 and a non-linear response. In the presence of the KPZ nonlinearity the disorder causes the lattice efects to decay on large scales with an intermediate crossover behavior. The mobility of the rough surface hes a complex dependence on the temperature and the other physical parameters.Comment: 13 pages, 2 figures (not included). Submitted to Phys. Rev. Letts. Use Latex twic

Airy Distribution Function: From the Area Under a Brownian Excursion to the Maximal Height of Fluctuating Interfaces

The Airy distribution function describes the probability distribution of the area under a Brownian excursion over a unit interval. Surprisingly, this function has appeared in a number of seemingly unrelated problems, mostly in computer science and graph theory. In this paper, we show that this distribution also appears in a rather well studied physical system, namely the fluctuating interfaces. We present an exact solution for the distribution P(h_m,L) of the maximal height h_m (measured with respect to the average spatial height) in the steady state of a fluctuating interface in a one dimensional system of size L with both periodic and free boundary conditions. For the periodic case, we show that P(h_m,L)=L^{-1/2}f(h_m L^{-1/2}) for all L where the function f(x) is the Airy distribution function. This result is valid for both the Edwards-Wilkinson and the Kardar-Parisi-Zhang interfaces. For the free boundary case, the same scaling holds P(h_m,L)=L^{-1/2}F(h_m L^{-1/2}), but the scaling function F(x) is different from that of the periodic case. We compute this scaling function explicitly for the Edwards-Wilkinson interface and call it the F-Airy distribution function. Numerical simulations are in excellent agreement with our analytical results. Our results provide a rather rare exactly solvable case for the distribution of extremum of a set of strongly correlated random variables. Some of these results were announced in a recent Letter [ S.N. Majumdar and A. Comtet, Phys. Rev. Lett., 92, 225501 (2004)].Comment: 27 pages, 10 .eps figures included. Two figures improved, new discussion and references adde