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NASA NTRS1998

Mixing of Multiple Jets With a Confined Subsonic Crossflow

Results from a recently completed enhanced mixing program are summarized in the two technical papers. These studies were parts of a High Speed Research (HSR)-supported joint Government/industry/university program that involved, in addition to the NASA Lewis Research Center, researchers at United Technologies Research Center, Allison Engine Company, CFD Research Corporation, and the University of California, Irvine. The studies investigated the mixing of jets injected normal to a confined subsonic mainsteam in both rectangular and cylindrical ducts. Experimental and computational studies were performed in both nonreacting and reacting flows. The orifice geometries and flow conditions were selected as typical of the complex three-dimensional flows in the combustion chambers in low-emission gas turbine engines. The principal conclusion from both the experiments and modeling was that the momentum-flux ratio J and orifice spacing S/H were the most significant flow and geometry variables, respectively. Conserved scalar distributions were similar-independent of reaction, orifice diameter H/d, and shape-when the orifice spacing and the square root of the momentum-flux ratio were inversely proportional. Jet penetration was critical, and penetration decreased as either momentum-flux ratio or orifice spacing decreased. We found that planar averages must be considered in context with the distributions. The mass-flow ratios and the orifices investigated were often very large. The jet-to-mainstream mass-flow ratio was varied from significantly less than 1 to greater than 1. The orifice-area to mainstream-cross-sectional-area was varied from approx. 0 to 0.5, and the axial planes of interest were often just downstream of the orifice trailing edge. Three-dimensional flow was a key part of efficient mixing and was observed for all configurations. As an example of the results, the accompanying figure shows the effects of different rates of mass addition on the opposite walls of a rectangular duct.

Holdeman, James D.↗

NASA NTRS2013

The DEEP2 Galaxy Redshift Survey: Design, Observations, Data Reduction, and Redshifts

We describe the design and data analysis of the DEEP2 Galaxy Redshift Survey, the densest and largest high-precision redshift survey of galaxies at z approx. 1 completed to date. The survey was designed to conduct a comprehensive census of massive galaxies, their properties, environments, and large-scale structure down to absolute magnitude MB = −20 at z approx. 1 via approx.90 nights of observation on the Keck telescope. The survey covers an area of 2.8 Sq. deg divided into four separate fields observed to a limiting apparent magnitude of R(sub AB) = 24.1. Objects with z approx. < 0.7 are readily identifiable using BRI photometry and rejected in three of the four DEEP2 fields, allowing galaxies with z > 0.7 to be targeted approx. 2.5 times more efficiently than in a purely magnitude-limited sample. Approximately 60% of eligible targets are chosen for spectroscopy, yielding nearly 53,000 spectra and more than 38,000 reliable redshift measurements. Most of the targets that fail to yield secure redshifts are blue objects that lie beyond z approx. 1.45, where the [O ii] 3727 Ang. doublet lies in the infrared. The DEIMOS 1200 line mm(exp −1) grating used for the survey delivers high spectral resolution (R approx. 6000), accurate and secure redshifts, and unique internal kinematic information. Extensive ancillary data are available in the DEEP2 fields, particularly in the Extended Groth Strip, which has evolved into one of the richest multiwavelength regions on the sky. This paper is intended as a handbook for users of the DEEP2 Data Release 4, which includes all DEEP2 spectra and redshifts, as well as for the DEEP2 DEIMOS data reduction pipelines. Extensive details are provided on object selection, mask design, biases in target selection and redshift measurements, the spec2d two-dimensional data-reduction pipeline, the spec1d automated redshift pipeline, and the zspec visual redshift verification process, along with examples of instrumental signatures or other artifacts that in some cases remain after data reduction. Redshift errors and catastrophic failure rates are assessed through more than 2000 objects with duplicate observations. Sky subtraction is essentially photon-limited even under bright OH sky lines; we describe the strategies that permitted this, based on high image stability, accurate wavelength solutions, and powerful B-spline modeling methods. We also investigate the impact of targets that appear to be single objects in ground-based targeting imaging but prove to be composite in Hubble Space Telescope data; they constitute several percent of targets at z approx. 1, approaching approx. 5%-10% at z > 1.5. Summary data are given that demonstrate the superiority of DEEP2 over other deep high-precision redshift surveys at z approx. 1 in terms of redshift accuracy, sample number density, and amount of spectral information. We also provide an overview of the scientific highlights of the DEEP2 survey thus far.

Galaxy↗

DOE OSTI2014

Utilization of the St. Peter Sandstone in the Illinois Basin for CO2 Sequestration

This project is part of a larger project co-funded by the United States Department of Energy (US DOE) under cooperative agreement DE-FE0002068 from 12/08/2009 through 9/31/2014. The study is to evaluate the potential of formations within the Cambro-Ordovician strata above the Mt. Simon Sandstone as potential targets for carbon dioxide (CO2) sequestration in the Illinois and Michigan Basins. This report evaluates the potential injectivity of the Ordovician St. Peter Sandstone. The evaluation of this formation was accomplished using wireline data, core data, pressure data, and seismic data acquired through funding in this project as well as existing data from two additional, separately funded projects: the US DOE funded Illinois Basin – Decatur Project (IBDP) being conducted by the Midwest Geological Sequestration Consortium (MGSC) in Macon County, Illinois, and the Illinois Industrial Carbon Capture and Sequestration (ICCS) Project funded through the American Recovery and Reinvestment Act (ARRA), which received a phase two award from DOE. This study addresses the question of whether or not the St. Peter Sandstone may serve as a suitable target for CO2 sequestration at locations within the Illinois Basin where it lies at greater depths (below the underground source of drinking water (USDW)) than at the IBDP site. The work performed included numerous improvements to the existing St. Peter reservoir model created in 2010. Model size and spatial resolution were increased resulting in a 3 fold increase in the number of model cells. Seismic data was utilized to inform spatial porosity distribution and an extensive core database was used to develop porosity-permeability relationships. The analysis involved a Base Model representative of the St. Peter at “in-situ” conditions, followed by the creation of two hypothetical models at in-situ + 1,000 feet (ft.) (300 m) and in-situ + 2,000 ft. (600 m) depths through systematic depthdependent adjustment of the Base Model parameters. Properties for the depth shifted models were based on porosity versus depth relationship extracted from the core database followed by application of the porosity-permeability relationship. Each of the three resulting models were used as input to dynamic simulations with the single well injection target of 3.2 million tons per annum (MTPA) for 30 years using an appropriate fracture gradient based bottom hole pressure limit for each injection level. Modeling results are presented in terms of well bottomhole pressure (BHP), injection rate profiles, and three-dimensional (3D) saturation and differential pressure volumes at selected simulation times. Results suggest that the target CO2 injection rate of 3.2 MTPA may be achieved in the St. Peter Sandstone at in-situ conditions and at the in-situ +1,000 ft. (300 m) depth using a single injector well. In the latter case the target injection rate is achieved after a ramp up period which is caused by multi-phase flow effects and thus subject to increased modeling uncertainty. Results confirm that the target rate may not be achieved at the in-situ +2,000 ft. (600 m) level even with multiple wells. These new modeling results for the in-situ case are more optimistic than previous modeling results. This difference is attributed to the difference in methods and data used to develop model permeability distributions. Recommendations for further work include restriction of modeling activity to the in-situ +1,000 ft. (300 m) and shallower depth interval, sensitivity and uncertainty analysis, and refinement of porosity and permeability estimates through depth and area selective querying of the available core database. It is also suggested that further modeling efforts include scope for evaluating project performance in terms of metrics directly related to the Environmental Protection Agency (EPA) Class VI permit requirements for the area of review (AoR) definition and post injection site closure monitoring.

Will, Robert↗

NASA NTRSDate not supplied

Modeling and Sensitivity Analysis of Sandwich Composite Cylinders with Geometric Imperfections

It is well known that real shell structures can have significantly lower buckling loads and even different mode shapes than the theoretical predictions for perfect structures. Much of this difference can be attributed to geometric and loading imperfections, and geometrically nonlinear effects. The realistic buckling response can be investigated using geometrically nonlinear finite element analyses and including radial imperfections. Such analyses are used in the NASA Engineering and Safety Center Shell Buckling Knockdown Factor Project, which has the goal of developing new analysis-based buckling design recommendations for select classes of cylindrical shell structures under uniaxial compressive load. The approach for modeling several sandwich composite cylinders with two-dimensional general-purpose shell elements and the influence of the element type selection and element size on the buckling load is discussed. The influence of geometric imperfections of various magnitudes on buckling behavior of a sandwich composite cylinder was also investigated.

Structural Modeling↗

NASA NTRSDate not supplied

Modeling and Sensitivity Analysis of Sandwich Composite Cylinders with Geometric Imperfections

It is well known that manufactured shell structures can have significantly lower buckling loads and different mode shapes than the theoretical predictions for perfect structures. Much of this difference can be attributed to geometric and loading imperfections, and geometrically nonlinear effects. The buckling response of cylindrical structures can be investigated using geometrically nonlinear finite element analyses and including radial imperfections. Such analyses are used in the NASA Engineering and Safety Center Shell Buckling Knockdown Factor Project, which has the goal of developing new analysis-based buckling design recommendations for select classes of cylindrical shell structures under uniaxial compressive load. The approach for modeling several sandwich composite cylinders with two-dimensional general-purpose shell elements and the influence of the element type selection and element size on the buckling load is discussed. The influence of geometric imperfections of various magnitudes on buckling behavior of a sandwich composite cylinder was also investigated.

Structural Modeling↗

NASA NTRSDate not supplied

: Modeling and Sensitivity Analysis of Sandwich Composite Cylinders with Geometric Imperfections

Structural Modeling↗

DOE OSTI2024

Literature Review of Recycling Polypropylene and Polyamide 12 Powders for Selective Laser Sintering

Additive manufacturing (AM) is the creation of three-dimensional parts by adding material layer-by-layer based on two dimensional “slices” of a CAD file, without molds or tooling. AM has broken the relationship between part complexity and manufacturing cost. As a general rule, for conventional manufacturing, the more complex the part produced, the more costly its manufacturing. For example, in the production of a bracket for a satellite, moving from conventional manufacturing to AM allowed the part to be consolidated from 4 parts to just one, as well as reducing the weight of the part by 35%. A further benefit, AM can be more cost effective for small lot sizes. To illustrate, consider a case study of white board marker caps presented by Klahn et al. The cost to produce 1,000 units of a new design using SLS was about an order of magnitude lower than conventional manufacturing, as shown in Figure 1.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Statistical characterization of life drivers for a probabilistic design analysis

This paper discusses the issue of statistical characterization of life drivers for a probabilistic design analysis (PDA) approach to support the conventional deterministic structural design methods that are currently used. The probabilistic approach takes into consideration the modeling inadequacies and uncertainties in many design variables such as loads, environments, and material properties. The importance of the distributional assumption is motivated by illustrating an example where the results differ substantially due to the distribution selected. Different types of distributions are discussed and techniques for estimating the parameters are given. Given this information, procedures are outlined for selecting the appropriate distribution based on the particular type of variable (i.e., dimensional, performance) as well as the information that is available (i.e., test data, engineering analysis). Finally, techniques are given for generating random numbers from these selected distributions within the PDA process.

Fox, Eric P.↗

NASA NTRS2006

Microshutter Arrays for the JWST NIRSpec

A primary goal of the James Webb Space Telescope (JWST) is to characterize the birth and evolution of galaxies by imaging and spectroscopic observations. The telescope will use a Near Infrared Camera and a Near Infrared Spectrometer (NIRSpec) to carry out this program. The 3.6 x 3.6 field of NIRSpec will contain thousands of candidate high redshift galaxies. With such a high candidate object density, simultaneous multi-object capability is essential. This capability requires a programmable object selection mask to eliminate sky background and to reduce source confusion caused. We are developing a two-dimensional programmable field mask for NIRSpec. These masks employ micromechanical (MEMS) techniques to provide source selection over the NIRSpec field of view. The first flight format arrays (171x365 shutters) have been fabricated and full functionality of these arrays has been demonstrated in lab tests. Qualification tests are in progress to demonstrate readiness for flight, and will be complete in the early fall of 2006. In this paper, I describe performance of this critical new technology, and progress in making the devices ready for a 2008 delivery to ESA for inclusion in the NIRSpec.

Moseley, Samuel H.↗

NASA NTRS2010

Microshutter Arrays for the JWST NIRSpec

A primary goal of the James Webb Space Telescope (JWST) is to characterize the birth and evolution of galaxies by imaging and spectroscopic observations. The telescope will use a Near Infrared Camera and a Near Infrared Spectrometer (NIRSpec) to carry out this program. The 3.6' x 3.6' field of NIRSpec will contain thousands of candidate high redshift galaxies. With such a high candidate object density, simultaneous multi-object capability is essential. This capability requires a programmable object selection mask to eliminate sky background and to reduce source confusion caused. We are developing a two-dimensional programmable field mask for NIRSpec. These masks employ micromechanical (MEMS) techniques to provide source selection over the NIRSpec field of view. The first flight format arrays (171x365 shutters) have been fabricated and full functionality of these arrays has been demonstrated in lab tests.

Moseley, Samuel H.↗

DOE OSTI2016

A novel porous anionic metal–organic framework with pillared double-layer structure for selective adsorption of dyes

A novel porous anionic metal–organic framework, (Me{sub 2}NH{sub 2}){sub 2}[Zn{sub 2}L{sub 1.5}bpy]·2DMF (BUT-201; H{sub 4}L=4,8-disulfonaphthalene-2,6-dicarboxylic acid; bpy=4,4-bipyridine; DMF=N,N-dimethylformamide), with pillared double-layer structure has been synthesized through the reaction of a sulfonated carboxylic acid ligand and Zn(NO{sub 3}){sub 2}·6H{sub 2}O with 4,4-bipyridine as a co-ligand. It is found that BUT-201 can rapidly adsorb cationic dyes with a smaller size such as Methylene Blue (MB) and Acriflavine Hydrochloride (AH) by substitution of guest (CH{sub 3}){sub 2}NH{sub 2}{sup +}, but has no adsorption towards the cationic dyes with a lager size such as Methylene Violet (MV), the anionic dyes like C. I. Acid Yellow 1 (AY1) and neutral dyes like C. I. Solvent Yellow 7 (SY7), respectively. The results show that the adsorption behavior of BUT-201 relates not only to the charge but also to the size/shape of dyes. Furthermore, the adsorbed dyes can be gradually released in the methanol solution of LiNO{sub 3}. - Graphical abstract: A porous anionic metal–organic framework (BUT-201) can selectively adsorb the cationic dyes by cationic guest molecule substitution, and the adsorbed dyes can be gradually released in the methanol solution of LiNO{sub 3}. - Highlights: • An anionic metal-organic framework (BUT-201) has been synthesized and characterized. • BUT-201 has a three-dimensional (3D) pillared double-layer structure. • BUT-201 can selectively and rapidly adsorb cationic dyes. • The adsorbed dyes can be gradually released in the methanol solution of LiNO{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Orbital selective directional conductor in the two-orbital Hubbard model

Recently, we employed a developed many-body technique that allows for the incorporation of thermal effects, the rich phase diagram of a two-dimensional two-orbital (degenerate d xz and d yz ) Hubbard model is presented varying temperature and the repulsion U. The main result is the finding at intermediate U of an antiferromagnetic orbital selective state where an effective dimensional reduction renders one direction insulating and the other metallic. Possible realizations of this state are discussed. Additionally, we also study nematicity above the N eel temperature. After a careful finite-size scaling analysis, the nematicity temperature window appears to survive in the bulk limit, although it is very narrow.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1977

Spacecraft flight control with the new phase space control law and optimal linear jet select

An autopilot designed for rotation and translation control of a rigid spacecraft is described. The autopilot uses reaction control jets as control effectors and incorporates a six-dimensional phase space control law as well as a linear programming algorithm for jet selection. The interaction of the control law and jet selection was investigated and a recommended configuration proposed. By means of a simulation procedure the new autopilot was compared with an existing system and was found to be superior in terms of core memory, central processing unit time, firings, and propellant consumption. But it is thought that the cycle time required to perform the jet selection computations might render the new autopilot unsuitable for existing flight computer applications, without modifications. The new autopilot is capable of maintaining attitude control in the presence of a large number of jet failures.

Bergmann, E. V.↗

DOE OSTI2022

Numerical Simulation of Vibrational Sum Frequency Generation Intensity for Non-Centrosymmetric Domains Interspersed in an Amorphous Matrix: A Case Study for Cellulose in Plant Cell Wall

Vibrational sum frequency generation (SFG) spectroscopy can specifically probe molecular species non-centrosymmetrically arranged in a centrosymmetric or isotropic medium. This capability has been extensively utilized to detect and study molecular species present at the two-dimensional (2D) interface at which the centrosymmetry or isotropy of bulk phases is naturally broken. The same principle has been demonstrated to be very effective for the selective detection of non-centrosymmetric crystalline nanodomains interspersed in three-dimensional (3D) amorphous phases. However, the full spectral interpretation of SFG features has been difficult due to the complexity associated with the theoretical calculation of SFG responses of such 3D systems. This paper describes a numerical method to predict the relative SFG intensities of non-centrosymmetric nanodomains in 3D systems as functions of their size and concentration as well as their assembly patterns, i.e., the distributions of tilt, azimuth, and rotation angles with respect to the lab coordinate. We applied the developed method to predict changes in the CH and OH stretch modes characteristic to crystalline cellulose microfibrils distributed with various orders, which are relevant to plant cell wall structures. As a result, the same algorithm can also be applied to any SFG-active nanodomains interspersed in 3D amorphous matrices.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Construction of a Code Verification Matrix for Heat Conduction With Finite Element Code Applications

When establishing the pedigree of a simulation tool, code verification is used to ensure that the implemented numerical algorithm is a faithful representation of its underlying mathematical model. During this process, numerical results on various meshes are systematically compared to a reference analytic solution. The selection of analytic solutions can be a laborious process, as it is difficult to establish adequate code confidence without performing redundant work. In this report we address this issue by applying a physics-based process that establishes a set of reference problems. In this process, code simulation options are categorized and systematically tested, which ensures that gaps in testing are easily identified and addressed. The resulting problems are primarily intended for code verification analysis but may also be useful for comparison to other simulation codes, troubleshooting activities, or training exercises. The process is used to select fifteen code verification problems relevant for the one-dimensional steady-state heat conduction equation. These problems are applicable to a wide variety of simulation tools, but, in this work, a demonstration is performed using the finite element-based nuclear fuel performance code BISON. Convergence to the analytic solution at the theoretical rate is quantified for a selection of the problems, which establishes a baseline pedigree for the code. Not only can this standard set of conduction solutions be used for verification of other codes, but also the physics-based process for selecting problems can be utilized to quantify and expand testing for any simulation tool.

42 ENGINEERING↗

NASA NTRS1985

Error Reduction Program

The details of a study to select, incorporate and evaluate the best available finite difference scheme to reduce numerical error in combustor performance evaluation codes are described. The combustor performance computer programs chosen were the two dimensional and three dimensional versions of Pratt & Whitney's TEACH code. The criteria used to select schemes required that the difference equations mirror the properties of the governing differential equation, be more accurate than the current hybrid difference scheme, be stable and economical, be compatible with TEACH codes, use only modest amounts of additional storage, and be relatively simple. The methods of assessment used in the selection process consisted of examination of the difference equation, evaluation of the properties of the coefficient matrix, Taylor series analysis, and performance on model problems. Five schemes from the literature and three schemes developed during the course of the study were evaluated. This effort resulted in the incorporation of a scheme in 3D-TEACH which is usuallly more accurate than the hybrid differencing method and never less accurate.

Syed, S. A.↗

DOE OSTI2015

Interplay between experiments and calculations for organometallic clusters and caged clusters

Clusters consisting of 10-1000 atoms exhibit size-dependent electronic and geometric properties. In particular, composite clusters consisting of several elements and/or components provide a promising way for a bottom-up approach for designing functional advanced materials, because the functionality of the composite clusters can be optimized not only by the cluster size but also by their compositions. In the formation of composite clusters, their geometric symmetry and dimensionality are emphasized to control the physical and chemical properties, because selective and anisotropic enhancements for optical, chemical, and magnetic properties can be expected. Organometallic clusters and caged clusters are demonstrated as a representative example of designing the functionality of the composite clusters. Organometallic vanadium-benzene forms a one dimensional sandwich structure showing ferromagnetic behaviors and anomalously large HOMO-LUMO gap differences of two spin orbitals, which can be regarded as spin-filter components for cluster-based spintronic devices. Caged clusters of aluminum (Al) are well stabilized both geometrically and electronically at Al{sub 12}X, behaving as a “superatom”.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1981

Numerical approximation of boundary conditions with applications to inviscid equations of gas dynamics

A comprehensive overview of the state of the art of well-posedness and stability analysis of difference approximations for initial boundary value problems of the hyperbolic type is presented. The applicability of recent theoretical development to practical calculations for nonlinear gas dynamics is examined. The one dimensional inviscid gas dynamics equations in conservation law form are selected for numerical experiments. The class of implicit schemes developed from linear multistep methods in ordinary differential equations is chosen and the use of linear extrapolation as an explicit or implicit boundary scheme is emphasized. Specification of boundary data in the primitive variables and computation in terms of the conservative variables in the interior is discussed. Some numerical examples for the quasi-one-dimensional nozzle are given.

Yee, H. C.↗