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At least 19 records

Multi-Scale Simulations of Carbon Nanotubes: Mechanics and Electronics

Carbon Nanotube (CNT) is a tubular form of carbon with diameter as small as 1 nm. Length: few mn to microns. CNT is configurationally equivalent to a two dimensional graphene sheet rolled into a tube. CNT exhibits extraordinary mechanical properties; Young's modulus over 1 Tera Pascal, as stiff as diamond, and tensile strength approx. 200 GPa. CNT can be metallic or semiconducting, depending on chirality.

Srivastava, Deepak↗

Probabilistic simulation of multi-scale composite behavior

A methodology is developed to computationally assess the probabilistic composite material properties at all composite scale levels due to the uncertainties in the constituent (fiber and matrix) properties and in the fabrication process variables. The methodology is computationally efficient for simulating the probability distributions of material properties. The sensitivity of the probabilistic composite material property to each random variable is determined. This information can be used to reduce undesirable uncertainties in material properties at the macro scale of the composite by reducing the uncertainties in the most influential random variables at the micro scale. This methodology was implemented into the computer code PICAN (Probabilistic Integrated Composite ANalyzer). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in the material properties of a typical laminate and comparing the results with the Monte Carlo simulation method. The experimental data of composite material properties at all scales fall within the scatters predicted by PICAN.

Liaw, D. G.↗

The nonlinear Galerkin method: A multi-scale method applied to the simulation of homogeneous turbulent flows

Using results of Direct Numerical Simulation (DNS) in the case of two-dimensional homogeneous isotropic flows, the behavior of the small and large scales of Kolmogorov like flows at moderate Reynolds numbers are first analyzed in detail. Several estimates on the time variations of the small eddies and the nonlinear interaction terms were derived; those terms play the role of the Reynolds stress tensor in the case of LES. Since the time step of a numerical scheme is determined as a function of the energy-containing eddies of the flow, the variations of the small scales and of the nonlinear interaction terms over one iteration can become negligible by comparison with the accuracy of the computation. Based on this remark, a multilevel scheme which treats differently the small and the large eddies was proposed. Using mathematical developments, estimates of all the parameters involved in the algorithm, which then becomes a completely self-adaptive procedure were derived. Finally, realistic simulations of (Kolmorov like) flows over several eddy-turnover times were performed. The results are analyzed in detail and a parametric study of the nonlinear Galerkin method is performed.

Debussche, A.↗

Multi-Scale Modeling of a Graphite-Epoxy-Nanotube System

A multi-scale method is utilized to determine some of the constitutive properties of a three component graphite-epoxy-nanotube system. This system is of interest because carbon nanotubes have been proposed as stiffening and toughening agents in the interlaminar regions of carbon fiber/epoxy laminates. The multi-scale method uses molecular dynamics simulation and equivalent-continuum modeling to compute three of the elastic constants of the graphite-epoxy-nanotube system: C11, C22, and C33. The 1-direction is along the nanotube axis, and the graphene sheets lie in the 1-2 plane. It was found that the C11 is only 4% larger than the C22. The nanotube therefore does have a small, but positive effect on the constitutive properties in the interlaminar region.

Frankland, S. J. V.↗

Computational Materials: Modeling and Simulation of Nanostructured Materials and Systems

The paper provides details on the structure and implementation of the Computational Materials program at the NASA Langley Research Center. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation of models are highlighted and discussed within the context of NASA's broad mission objectives.

Gates, Thomas S.↗

Characterizing the Preturbulence Environment for Sensor Development, New Hazard Algorithms and NASA Experimental Flight Planning

During the grant period, several tasks were performed in support of the NASA Turbulence Prediction and Warning Systems (TPAWS) program. The primary focus of the research was on characterizing the preturbulence environment by developing predictive tools and simulating atmospheric conditions that preceded severe turbulence. The goal of the research being to provide both dynamical understanding of conditions that preceded turbulence as well as providing predictive tools in support of operational NASA B-757 turbulence research flights. The advancements in characterizing the preturbulence environment will be applied by NASA to sensor development for predicting turbulence onboard commercial aircraft. Numerical simulations with atmospheric models as well as multi-scale observational analyses provided insights into the environment organizing turbulence in a total of forty-eight specific case studies of severe accident producing turbulence on commercial aircraft. These accidents exclusively affected commercial aircraft. A paradigm was developed which diagnosed specific atmospheric circulation systems from the synoptic scale down to the meso-y scale that preceded turbulence in both clear air and in proximity to convection. The emphasis was primarily on convective turbulence as that is what the TPAWS program is most focused on in terms of developing improved sensors for turbulence warning and avoidance. However, the dynamical paradigm also has applicability to clear air and mountain turbulence. This dynamical sequence of events was then employed to formulate and test new hazard prediction indices that were first tested in research simulation studies and then ultimately were further tested in support of the NASA B-757 turbulence research flights. The new hazard characterization algorithms were utilized in a Real Time Turbulence Model (RTTM) that was operationally employed to support the NASA B-757 turbulence research flights. Improvements in the RTTM were implemented in an effort to increase the accuracy of the operational characterization of the preturbulence environment. Additionally, the initial research necessary to create a statistical evaluation scheme for the characterization indices utilized in the RTTM was undertaken. Results of all components of this research were then published in NASA contractor reports and scientific journal papers.

Kaplan, Michael L.↗

SST Variation Due to Interactive Convective-Radiative Processes

The recent linking of Cloud-Resolving Models (CRMs) to Ocean-Mixed Layer (OML) models has provided a powerful new means of quantifying the role of cloud systems in ocean-atmosphere coupling. This is due to the fact that the CRM can better resolve clouds and cloud systems and allow for explicit cloud-radiation interaction. For example, Anderson (1997) applied an atmospheric forcing associated with a CRM simulated squall line to a 3-D OML model (one way or passive interaction). His results suggested that the spatial variability resulting from the squall forcing can last at least 24 hours when forced with otherwise spatially uniform fluxes. In addition, the sea surface salinity (SSS) variability continuously decreased following the forcing, while some of the SST variability remained when a diurnal mixed layer capped off the surface structure. The forcing used in the OML model, however, focused on shorter time (8 h) and smaller spatial scales (100-120 km). In this study, the 3-D Goddard Cumulus Ensemble Model (GCE; 512 x 512 x 23 cu km, 2-km horizontal resolution) is used to simulate convective active episodes occurring in the Western Pacific warm pool and Eastern Atlantic regions. The model is integrated for seven days, and the simulated results are coupled to an OML model to better understand the impact of precipitation and changes in the planetary boundary layer upon SST variation. We will specifically examine and compare the results of linking the OML model with various spatially-averaged outputs from GCE simulations (i.e., 2 km vs. 10-50 km horizontal resolutions), in order to help understand the SST sensitivity to multi-scale influences. This will allow us to assess the importance of explicitly simulated deep and shallow clouds, as well as the subgrid-scale effects (in coarse-model runs) upon SST variation. Results using both 1-D and 2-D OML models will be evaluated to assess the effects of horizontal advection.

Tao, W.-K.↗

Radiative transfer theory for polarimetric remote sensing of pine forest

The radiative transfer theory is applied to interpret polarimetric radar backscatter from pine forest with clustered vegetation structures. To take into account the clustered structures with the radiative transfer theory, the scattering function of each cluster is calculated by incorporating the phase interference of scattered fields from each component. Subsequently, the resulting phase matrix is used in the radiative transfer equations to evaluate the polarimetric backscattering coefficients from random medium layers embedded with vegetation clusters. Upon including the multi-scale structures, namely, trunks, primary and secondary branches, as well as needles, we interpret and simulate the polarimetric radar responses from pine forest for different frequencies and looking angles. The preliminary results are shown to be in good agreement with the measured backscattering coefficients at the Landes maritime pine forest during the MAESTRO-1 experiment.

Hsu, C. C.↗

Cross-Linked Nanotube Materials with Variable Stiffness Tethers

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.

Frankland, Sarah-Jane V.↗

Probabilistic Multi-Scale, Multi-Level, Multi-Disciplinary Analysis and Optimization of Engine Structures

Aircraft engines are assemblies of dynamically interacting components. Engine updates to keep present aircraft flying safely and engines for new aircraft are progressively required to operate in more demanding technological and environmental requirements. Designs to effectively meet those requirements are necessarily collections of multi-scale, multi-level, multi-disciplinary analysis and optimization methods and probabilistic methods are necessary to quantify respective uncertainties. These types of methods are the only ones that can formally evaluate advanced composite designs which satisfy those progressively demanding requirements while assuring minimum cost, maximum reliability and maximum durability. Recent research activities at NASA Glenn Research Center have focused on developing multi-scale, multi-level, multidisciplinary analysis and optimization methods. Multi-scale refers to formal methods which describe complex material behavior metal or composite; multi-level refers to integration of participating disciplines to describe a structural response at the scale of interest; multidisciplinary refers to open-ended for various existing and yet to be developed discipline constructs required to formally predict/describe a structural response in engine operating environments. For example, these include but are not limited to: multi-factor models for material behavior, multi-scale composite mechanics, general purpose structural analysis, progressive structural fracture for evaluating durability and integrity, noise and acoustic fatigue, emission requirements, hot fluid mechanics, heat-transfer and probabilistic simulations. Many of these, as well as others, are encompassed in an integrated computer code identified as Engine Structures Technology Benefits Estimator (EST/BEST) or Multi-faceted/Engine Structures Optimization (MP/ESTOP). The discipline modules integrated in MP/ESTOP include: engine cycle (thermodynamics), engine weights, internal fluid mechanics, cost, mission and coupled structural/thermal, various composite property simulators and probabilistic methods to evaluate uncertainty effects (scatter ranges) in all the design parameters. The objective of the proposed paper is to briefly describe a multi-faceted design analysis and optimization capability for coupled multi-discipline engine structures optimization. Results are presented for engine and aircraft type metrics to illustrate the versatility of that capability. Results are also presented for reliability, noise and fatigue to illustrate its inclusiveness. For example, replacing metal rotors with composites reduces the engine weight by 20 percent, 15 percent noise reduction, and an order of magnitude improvement in reliability. Composite designs exist to increase fatigue life by at least two orders of magnitude compared to state-of-the-art metals.

Chamis, Christos C.↗

A New Approach to Using a Cloud-Resolving Model to Study the Interactions between Clouds, Precipitation and Aerosols

Recently Grabowski and Khairoutdinov and Randall have proposed and demonstrated, the feasibility of using 2D CRMs (these did not include detailed land processes and used periodic lateral boundary conditions) as 'super-parameterizations or a multi-scale modeling framework MMF' for cloud processes within atmospheric generation circulation models (GCMs). In the MMF, a fine-resolution 2D CRM takes the place of the single-column parameterization that is used in conventional GCMs. An overview of this approach is given by Randall et al.. Since a CRM can explicitly simulate cloud processes at the natural space and time scales of clouddynamical processes, it's possible to compute statistics of cloud fields, including radiances and radar backscatters, directly simulated/produced by the CRM. A seed fund is available at NASA Goddard to build a MMF based on a 2D GCE model and the Goddard fvGCM. A prototype MMF will be developed at end of 2004. The major objectives are to test and evaluate its performance using the GCE model as the super parameterization and compare its results with other super parameterizations, conventional GCMs and observations. Recently, a detailed spectral-bin microphysical scheme was implemented into the Goddard Cumulus Ensemble (WE) model. The GCE model is a CRM and it has been improved and applied to study the precipitation processes in the past two decades. Atmospheric aerosols are also described using number density size-distribution functions. The model is tested by studying the evolution of deep tropical clouds in the west Pacific warm pool region and summertime convection over a mid-latitude continent with different concentrations of CCN: a low 'clean' concentration and a high 'dirty' concentration. The impact of atmospheric aerosol concentration on cloud and precipitation will be investigated. In addition, the similarities and differences between bulk- and spectral-bin microphysics will be presented,

Tao, Wei-Kuo↗

Adaptive Mesh Refinement for Microelectronic Device Design

Finite element and finite volume methods are used in a variety of design simulations when it is necessary to compute fields throughout regions that contain varying materials or geometry. Convergence of the simulation can be assessed by uniformly increasing the mesh density until an observable quantity stabilizes. Depending on the electrical size of the problem, uniform refinement of the mesh may be computationally infeasible due to memory limitations. Similarly, depending on the geometric complexity of the object being modeled, uniform refinement can be inefficient since regions that do not need refinement add to the computational expense. In either case, convergence to the correct (measured) solution is not guaranteed. Adaptive mesh refinement methods attempt to selectively refine the region of the mesh that is estimated to contain proportionally higher solution errors. The refinement may be obtained by decreasing the element size (h-refinement), by increasing the order of the element (p-refinement) or by a combination of the two (h-p refinement). A successful adaptive strategy refines the mesh to produce an accurate solution measured against the correct fields without undue computational expense. This is accomplished by the use of a) reliable a posteriori error estimates, b) hierarchal elements, and c) automatic adaptive mesh generation. Adaptive methods are also useful when problems with multi-scale field variations are encountered. These occur in active electronic devices that have thin doped layers and also when mixed physics is used in the calculation. The mesh needs to be fine at and near the thin layer to capture rapid field or charge variations, but can coarsen away from these layers where field variations smoothen and charge densities are uniform. This poster will present an adaptive mesh refinement package that runs on parallel computers and is applied to specific microelectronic device simulations. Passive sensors that operate in the infrared portion of the spectrum as well as active device simulations that model charge transport and Maxwell's equations will be presented.

Cwik, Tom↗

On the Computation of Space-Time Correlations by Large-Eddy Simulation

Numerical comparisons in decaying isotropic turbulence suggest that there exist discrepancies in time correlations evaluated by DNS and LES using eddy-viscosity-type SGS models. This is consistent with the previous observations in forced isotropic turbulence. Therefore, forcing is not the main cause of the discrepancies. Comparisons among different SGS models in the LES also indicate that the model choice affects the time correlations in the LES. The multi-scale LES method using the dynamic Smagorinsky model on the small scale equation is the most accurate of the all models, the classic Smagorinsky model is the least accurate and the dynamic Smagorinsky model and spectral eddy viscosity model give intermediate results with small differences. The generalized sweeping hypothesis implies that time correlations in decaying isotropic turbulence are mainly determined by the instantaneous energy spectra and sweeping velocities. The analysis based on the sweeping hypothesis explains the discrepancies in our numerical simulations: the LES overpredicts the decorrelation time scales because the sweeping velocities are smaller than the DNS values, and underpredicts the magnitudes of time correlations because the energy spectrum levels are lower than the DNS ones. Since the sweeping velocity is determined by the energy spectra, one concludes that an accurate prediction of the instantaneous energy spectra guarantees the accuracy of time correlations. An analytical expression of sound power spectra based on Lighthill's theory and the quasi-normal closure assumption suggests that the sound power spectra are sensitive to errors in time correlations. Small errors in time correlations can cause significant errors in the sound power spectra, which exhibit a sizable drop at moderate to high frequencies accompanied by a shift of the peaks to lower frequencies. Based on the above analysis, two possible ways to improve the acoustic power spectrum predictions can be considered. The first is to construct better SGS models to improve the LES accuracy for time correlations. The second is to remedy the temporal statistics of the Lighthill stress tensor in order to "recover" the contribution from the unresolved scales in LES to time correlations.

He, Guo-Wei↗

Studying Turbulence Using Numerical Simulation Databases, 8. Proceedings of the 2000 Summer Program

The eighth Summer Program of the Center for Turbulence Research took place in the four-week period, July 2 to July 27, 2000. This was the largest CTR Summer Program to date, involving forty participants from the U. S. and nine other countries. Twenty-five Stanford and NASA-Ames staff members facilitated and contributed to most of the Summer projects. Several new topical groups were formed, which reflects a broadening of CTR's interests from conventional studies of turbulence to the use of turbulence analysis tools in applications such as optimization, nanofluidics, biology, astrophysical and geophysical flows. CTR's main role continues to be in providing a forum for the study of turbulence and other multi-scale phenomena for engineering analysis. The impact of the summer program in facilitating intellectual exchange among leading researchers in turbulence and closely related flow physics fields is clearly reflected in the proceedings.

Source record↗

Coupled fvGCM-GCE Modeling System: TRMM Latent Heating and Cloud Library

Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to improve the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. A seed fund is available at NASA Goddard to build a MMF based on the 2D GCE model and the Goddard finite volume general circulation model (fvGCM). A prototype MMF will be developed by the end of 2004 and production runs will be conducted at the beginning of 2005. The purpose of this proposal is to augment the current Goddard MMF and other cloud modeling activities. In this talk, I will present: (1) A summary of the second Cloud Modeling Workshop took place at NASA Goddard, (2) A summary of the third TRMM Latent Heating Workshop took place at Nara Japan, (3) A brief discussion on the GCE model on developing a global cloud simulator.

Tao, Wei-Kuo↗

Coupled fvGCM-GCE Modeling System, TRMM Latent Heating and Cloud Library

Recent GEWEX Cloud System Study (GCSS) model comparison projects have indicated that cloud-resolving models (CRMs) agree with observations better than traditional single-column models in simulating various types of clouds and cloud systems from different geographic locations. Current and future NASA satellite programs can provide cloud, precipitation, aerosol and other data at very fine spatial and temporal scales. It requires a coupled global circulation model (GCM) and cloud-scale model (termed a super-parameterization or multi-scale modeling framework, MMF) to use these satellite data to imiprove the understanding of the physical processes that are responsible for the variation in global and regional climate and hydrological systems. The use of a GCM will enable global coverage, and the use of a CRM will allow for better and more sophisticated physical parameterization. NASA satellite and field campaign cloud related datasets can provide initial conditions as well as validation for both the MMF and CRMs. A seed fund is available at NASA Goddard to build a MMF based on the 2D GCE model and the Goddard finite volume general circulation model (fvGCM). A prototype MMF will be developed by the end of 2004 and production runs will be conducted at the beginning of 2005. The purpose of this proposal is to augment the current Goddard MMF and other cloud modeling activities. I this talk, I will present: (1) A summary of the second Cloud Modeling Workshop took place at NASA Goddard, (2) A summary of the third TRMM Latent Heating Workshop took place at Nara Japan, (3) A brief discussion on the Goddard research plan of using Weather Research Forecast (WRF) model, and (4) A brief discussion on the GCE model on developing a global cloud simulator.

Tao, Wei-Kuo↗

Seals Research at Texas A/M University

The Turbomachinery Laboratory at Texas A&M has been providing experimental data and computational codes for the design seals for many years. The program began with the development of a Halon based seal test rig. This facility provided information about the effective stiffness and damping in whirling seals. The Halon effectively simulated cryogenic fluids. Another test facility was developed (using air as the working fluid) where the stiffness and damping matrices can be determined. This data was used to develop bulk flow models of the seal's effect upon rotating machinery; in conjunction with this research, a bulk flow model for calculation of performance and rotordynamic coefficients of annular pressure seals of arbitrary non-uniform clearance for barotropic fluids such as LH2, LOX, LN2, and CH4 was developed. This program is very efficient (fast) and converges for very large eccentricities. Currently, work is being performed on a bulk flow analysis of the effects of the impeller-shroud interaction upon the stability of pumps. The data was used along with data from other researchers to develop an empirical leakage prediction code for MSFC. Presently, the flow field inside labyrinth and annular seals are being studied in detail. An advanced 3-D Doppler anemometer system is being used to measure the mean velocity and entire Reynolds stress tensor distribution throughout the seals. Concentric and statically eccentric seals were studied; presently, whirling seals are being studied. The data obtained are providing valuable information about the flow phenomena occurring inside the seals, as well as a data base for comparison with numerical predictions and for turbulence model development. A finite difference computer code was developed for solving the Reynolds averaged Navier Stokes equation inside labyrinth seals. A multi-scale k-epsilon turbulence model is currently being evaluated. A new seal geometry was designed and patented using a computer code. A large scale, 2-D seal flow visualization facility is also being developed.

Morrison, Gerald L.↗