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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Model form and sensitivity analysis of CALPHAD-based nucleation models in b-stabilized Ti alloys

Accurate prediction of α-phase nucleation and growth in β-stabilized titanium alloys is crucial for designing heat treatments to optimize mechanical properties in additively manufactured lightweight components. Ideally, predictions of nucleation and growth would incorporate both top-down observations of past experimental heat treatments and bottom-up modeling of phase transformations; however, the appropriate method of combining these information sources is not self-evident. Combining top-down and bottom-up information requires a unified form of model that can connect between spatiotemporal scales, as well as sets of fitting parameters that can be identified by each data source. The selection of which parameters to fit to which data source can be made based on expert opinion, or by performing a sensitivity analysis. In solid-solid nucleation, direct observation of the nucleation and growth process is challenging. Most data on the heat treatment-controlled phase transformations are not in-situ. To predict the process and outcome of the nucleation, growth and coarsening of precipitates, theoretical models of the nucleation pathway are used to bridge the gap. Many sources of uncertainty affect the modeling of this nucleation process. It can be influenced by small variations in the thermomechanical processing history, chemical composition, and initial microstructure. If molecular dynamics (MD) simulations are used to determine thermodynamic quantities and inform CALPHAD modeling, additional uncertainty can be introduced and accounted for using Bayesian methods. Top-down uncertainties require additional steps to quantify. The influence of nucleation model form on the sensitivity of predictions to input parameters and physical conditions is the focus of this study. Classical nucleation theory (CNT) allows modeling to formulate the nucleation as homogeneous or, more commonly, heterogeneous. Non-classical nucleation models are also increasingly explored as a means of reconciling top-down and bottom-up data. In this study, the sensitivity of the intragranular nucleation of α in a β-annealed, slow-cooled aging (BASCA) heat treatment of β-stabilized Ti5553 alloy is explored using CNT and both heterogeneous and homogeneous assumptions. The Kampmann-Wagner Numerical model of precipitate nucleation and growth is employed. Using open-source tools (pyCalphad and thermodynamic modeling of TiMo as a surrogate system, a sensitivity analysis is performed to measure variations in key parameters, including chemical driving force, interfacial energy, and diffusivity, as they relate to predictions of precipitate number density. The inclusion of top-down and bottom-up data in selection of nucleation model form is discussed.

Rodriguez Negron, A. M.↗
DOE OSTI2023

Reactor physics characterization of triply periodic minimal surface-based nuclear fuel lattices

Triply periodic minimal surface (TPMS) lattices are receiving substantial attention in numerous engineering fields due to their impressive topology-driven physical characteristics. TPMS lattices are periodic structures of two distinct intertwined volume domains separated by an area-minimizing surface or wall. TPMS lattices have been observed in nature, such as biological membranes, skeletons, block copolymers, sea urchins, butterfly wings, and equipotential surfaces in crystals. Intriguingly, the topology of TPMS lattices can be easily parametrized via level-set equations and thus are heavily numerically and experimentally studied. Here, a significant research effort is currently applying TPMS lattices for heat exchangers and sinks. This paper extends TPMS lattice applications to nuclear reactor fuel designs, with a focus on identifying relevant TPMS geometric parameters controlling neutronics characteristics, such as reactivity, neutron spectrum, and heat removal properties. We found that fuel surface-area-to-volume ratios for TPMS lattices can be two orders of magnitude larger than current cylindrical fuel rods. Further, the selected TPMS lattice and its implicit equation, the unit cell pitch, wall thickness, and structure porosity are design parameters enabling neutronics optimization for both thermal and fast spectrum configurations, paving the way for exceptionally compact and dense nuclear core concepts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1988

The Mark III stellar interferometer

The Mark III interferometer is an operational long baseline stellar interferometer on Mt. Wilson with four-possible baseline configurations from 9m NE-SW to 20m N-S. The interferometer was designed to be a highly automated astronomical instrument to measure stellar positions and diameters to a magnitude limit of seven. Initial fringe observations were made in September 1986 with a 12-m N-S baseline. In the following months, semi-automated astrometric and stellar diameter measurements were also made. This paper describes the hardware and software components of the instrument and its operational characteristics. The interferometer has several novel features. One is the use of optimal estimation and control algorithms (e.g. Kalman filters) in the control loops. Another is the ability to operate both as a closed-loop phased interferometer and eventually as an open-loop or absolute coherent interferometer. High thermal stability and mechanical accuracy should permit the instrument to point blind at an astronomical object and maintain optical path equality to within the limits set by the atmosphere. In this absolute interferometric mode of operation, it should be possible to observe faint astronomical objects that are too dim for phase tracking. In theory, measurements of amplitude, group delay, and closure phase will be possible to 14 mag.

Shao, M.↗
DOE OSTI2025

Shaping Peptide Assemblies Using Multifaceted Cyclic Tectons

Constructing distinct biomacromolecular assemblies typically necessitates target-specific selection and engineering of building blocks alongside optimization of assembly conditions. The challenge lies in achieving diverse morphological outcomes using simple, shared modules under identical conditions, a hallmark of natural systems that remains elusive in synthetic approaches. Here, in this work, we present a molecular scaffold-based strategy to instruct the coassembly of the same set of peptides into a variety of nanostructures across multiple dimensions. We create trifaceted cyclic scaffolds to manipulate two pairs of dimeric coiled-coil peptides prior to coassembly. These scaffolds, with addressable and orthogonal modules, allow controlled exposure of their cohesive faces, directing the formation of nanotriangles and fibrillar and lamellar assemblies. By tuning interpeptide arrangements that dictate scaffold geometry, we construct nonstraight fibrils with tunable curvature, which are rarely observed before. Notably, these scaffolds exhibit plasticity in adapting the sizes and orientations of cohesive faces to different assembly morphologies. The resultant nanostructures are consistent with the design and simulation results, demonstrating the reliability and predictability of this approach. Multifaceted cyclic scaffolds bridge the intellectual and physical gaps between building peptides and assemblies, holding promise for endowing various existing assembly systems with high tunability and versatility.

assembly morphology↗
NASA NTRS1990

Integrated controls-structures design methodology development for a class of flexible spacecraft

Future utilization of space will require large space structures in low-Earth and geostationary orbits. Example missions include: Earth observation systems, personal communication systems, space science missions, space processing facilities, etc., requiring large antennas, platforms, and solar arrays. The dimensions of such structures will range from a few meters to possibly hundreds of meters. For reducing the cost of construction, launching, and operating (e.g., energy required for reboosting and control), it will be necessary to make the structure as light as possible. However, reducing structural mass tends to increase the flexibility which would make it more difficult to control with the specified precision in attitude and shape. Therefore, there is a need to develop a methodology for designing space structures which are optimal with respect to both structural design and control design. In the current spacecraft design practice, it is customary to first perform the structural design and then the controller design. However, the structural design and the control design problems are substantially coupled and must be considered concurrently in order to obtain a truly optimal spacecraft design. For example, let C denote the set of the 'control' design variables (e.g., controller gains), and L the set of the 'structural' design variables (e.g., member sizes). If a structural member thickness is changed, the dynamics would change which would then change the control law and the actuator mass. That would, in turn, change the structural model. Thus, the sets C and L depend on each other. Future space structures can be roughly divided into four mission classes. Class 1 missions include flexible spacecraft with no articulated appendages which require fine attitude pointing and vibration suppression (e.g., large space antennas). Class 2 missions consist of flexible spacecraft with articulated multiple payloads, where the requirement is to fine-point the spacecraft and each individual payload while suppressing the elastic motion. Class 3 missions include rapid slewing of spacecraft without appendages, while Class 4 missions include general nonlinear motion of a flexible spacecraft with articulated appendages and robot arms. Class 1 and 2 missions represent linear mathematical modeling and control system design problems (except for actuator and sensor nonlinearities), while Class 3 and 4 missions represent nonlinear problems. The development of an integrated controls/structures design approach for Class 1 missions is addressed. The performance for these missions is usually specified in terms of (1) root mean square (RMS) pointing errors at different locations on the structure, and (2) the rate of decay of the transient response. Both of these performance measures include the contributions of rigid as well as elastic motion.

Maghami, P. G.↗
NASA NTRS2016

Closed Loop Control Compact Exercise Device for Use on MPCV

Long duration space travel to Mars or to an asteroid will expose astronauts to extended periods of reduced gravity. To combat spaceflight physiological deconditioning, astronauts will use resistive and aerobic exercise regimens for the duration of the space flight to minimize the loss of bone density, muscle mass and aerobic capacity that occurs during exposure to a reduced gravity environment. Unlike the International Space Station (ISS), the mass and volume available for an exercise device in the next generation of spacecraft is limited. Therefore, compact exercise device prototypes are being developed for human in the loop evaluations. The NASA Human Research Program (HRP) is managing Advanced Exercise Concepts (AEC) requirements development and candidate technology maturation for all exploration mission profiles from Multi-Purpose Crew Vehicle (MPCV) exploration missions (e.g., EM-2, up to 21 day) to Mars Transit (up to 1000 day) missions. Numerous technologies have been considered and evaluated against HRP-approved functional requirements and include flywheel, pneumatic and closed-loop microprocessor-controlled motor driven power plants. Motor driven technologies offer excellent torque density and load accuracy characteristics as well as the ability to create custom mechanical impedance (the dynamic relationship between force and velocity) and custom load versus position exercise algorithms. Further, closed-loop motor-driven technologies offer the ability to monitor exercise dose parameters and adapt to the needs of the crewmember for real time optimization of exercise prescriptions. A simple proportional-integral-derivative (PID) controller is demonstrated in a prototype motor driven exercise device with comparison to resistive static and dynamic load set points and aerobic work rate targets. The resistive load term in the algorithm includes a constant force component (Fcmg) as well as inertial component (Fima) and a discussion of system tuning is presented in terms of addressing key functional requirements and human interfaces. The device aerobic modality is modelled as a rowing exercise using ground data sets obtained from Concept 2 rowers as well as competitive rowing1. A discussion of software and electronic implementations are presented which demonstrate unique approaches to meeting the constrained mass, volume and power requirements of the MPCV. . In addition to utilizing traditional PID control, controllers utilizing state feedback with gains solved using a Linear Quadratic Regulator will be developed. Controllability and observability will be utilized to investigate the need for state measurement in the design. As the control system directly interacts with human test subjects, robust methods such as H-infinity are also being investigated.1. Kleshnev V. Biomechanics. In: Rowing, Handbook of Sports Medicine and Science. ed. by Secher N., Voliantis S. IOC Medical Commission, Blackwell Pub. pp. 22-34, 2007

microgravity↗
NASA NTRS2002

Science Planning for Multi-Spacecraft Coordinated Observations

Fulfilling the promise of an era of great observatories, NASA now has more than three space-based astronomical telescopes operating in different wavebands. This situation provides astronomers with a unique opportunity to simultaneously observe with multiple observatories. Yet scheduling multiple observatories simultaneously is highly inefficient when compared to single observatory observations. Thus, programs using multiple observatories are limited not due to scientific restrictions, but due to operational inefficiencies. Each year, a number of proposals are accepted by a space-based observatory for conduction of astronomical observations and gathering of science data for the study of galactic events. Since each space-based observatory uses a set of instruments designed to operate in specific energy regions, most such studies are conducted by submitting observation proposals to multiple observatories, with requests to coordinate among themselves. To assure that the proposed observations can be scheduled, each observatory's staff has to check that the observations are valid and meet all the constraints for their own observatory; in addition, they have to verify that the observations satisfy the constraints of the other observatories. Thus, coordinated observations require painstaking manual collaboration among the observatory staff at each observatory. In order to exploit new paradigms for observatory operation, the Goddard Space Flight Center's Advanced Architectures and Automation Branch has developed a prototype tool called the Visual Observation Layout Tool (VOLT). The main objective of VOLT is to provide a visual tool to automate the science planning of coordinated observations for multiple spacecraft, as well as to increase the scheduling probability of observations. However, VOLT is also useful for single observatory planning to optimize observatory control. Three space-based missions are interested in using VOLT (the Hubble Space Telescope, the Chandra X-Ray Observatory, and the Far Ultraviolet Spectroscopic Explorer). The VOLT team members have collaborated with these missions to gather requirements and obtain feedback on their mission planning processes. VOLT has been developed as a cross-platform Java client application for use by scientists and observatory science planning staff to visualize scheduling options and constraints. It also supports a lightweight graphical user interface for remote viewing via a Web front end. Additionally, it uniquely supports the ability to interact with multiple, diverse scheduling packages in order to determine windows of opportunity for observations and visually portray the constraints of each observation request. VOLT enables science data capture scenarios which are currently either impossible, or which require extensive time and manpower to coordinate amongst multiple observatories. it supports early detection of planning conflicts by generating coordinated solutions based on observatory schedulability and constraints. The project development approach has included frequent prototype demonstrations to our interested missions to obtain feedback after each release of the software. We will present an overview of our lessons learned in infusing the VOLT tool into the operations of the missions we have collaborated with and a brief demonstration of the software.

Maks, Lori↗
NASA NTRS2006

Separation Control in a Multistage Compressor Using Impulsive Surface Injection

Control of flow separation using impulsive surface injection is investigated within the multistage environment of a low speed axial-flow compressor. Measured wake profiles behind a set of embedded stator vanes treated with suction-surface injection indicate significant reduction in flow separation at a variety of injection-pulse repetition rates and durations. The corresponding total pressure losses across the vanes reveal a bank of repetition rates at each pulse duration where the separation control remains nearly complete. This persistence allows for demands on the injected-mass delivery system to be economized while still achieving effective flow control. The response of the stator-vane boundary layers to infrequently applied short injection pulses is described in terms of the periodic excitation of turbulent strips whose growth and propagation characteristics dictate the lower bound on the band of optimal pulse repetition rates. The eventual falloff in separation control at higher repetition rates is linked to a competition between the benefits of pulse-induced mixing and the aggravation caused by the periodic introduction of low-momentum fluid. Use of these observations for impulsive actuator design is discussed and their impact on modeling the time-average effect of impulsive surface injection for multistage steady-flow simulation is considered.

Wundrow, David W.↗
NASA NTRSDate not supplied

ISRU Pilot Excavator Wheel Testing in Lunar Regolith Simulant

The ISRU Pilot Excavator, or IPEx, is a robotic excavator funded by NASA’s Space Technology Mission Directorate (STMD). The Concept of Operations for IPEx involves the robot driving on the lunar surface up to 70 km at a speed of up to 30 cm/s. As such, it is critical to the mission’s success to optimize the design of the wheels for performance in lunar conditions, specifically in lunar regolith. To achieve this, an array of tests was completed to observe the effects of various wheel design choices on the driving performance of the wheels in lunar regolith simulant. In order to facilitate testing, we designed a 12” dia. configurable wheel to allow for interchangeability between various wheel formations. Two types of wheel parts were designed to be swapped: cleats, which form the tread of the wheel; and grousers, which protrude from the treads. The test variables that we considered were as follows: square vs. round wheel shape, solid vs. perforated cleats, cleat spacing, grouser height, and grouser spacing. By combining different settings of each of these test variables, ten discrete wheel designs were created and tested. The configurable test wheels were mounted on the Regolith Advanced Surface Systems Operations Robot (RASSOR) developed at NASA’s Kennedy Space Center. In our experiments, the robot was driven at a controlled speed across a prepared surface of BP-1 lunar regolith simulant. Four types of tests were conducted: circle driving, straight driving, slope driving, and drawbar pull. The driving tests were chosen to mimic a variety of conditions in which IPEx may be expected to operate, and the drawbar pull test was chosen to provide a standard of comparison with existing wheel design literature. The circle and straight driving tests were each performed at different levels: for the circle driving test, the robot was driven at a constant linear speed and three different angular speeds, while for the straight driving test, the robot was driven at three different linear speeds. The data collected from these tests included the power usage from each of the wheels, measurements of the tread patterns left in the regolith surface, and the amount of slip the wheels experienced, which was calculated using data from an OptiTrack motion capture system. From the results of these experiments, we found that certain test variables were more significant than others in determining performance for each type of test, and no single wheel design clearly outperformed the others in all areas. The details of our findings will be discussed further in this paper. This data will be utilized to inform the design of the wheels for IPEx and can provide a basis for the design of wheels for future lunar terrain vehicles.

RASSOR↗
DOE OSTI2024

Soft matter approach for creating novel protein hydrogels using fractal whey protein assemblies as building blocks

In this study, mesoscopic sized fractal assembly (FA) particles were prepared using whey protein isolate; the coldset gelation properties of FA particles were investigated in-depth. Two types of FA particles (FA -62 and FA -90) with different mean sizes were synthesized through controlled thermal treatment of whey protein solutions at two concentrations (62 g/L and 90 g/L). Particle characteristics e.g. hydrodynamic radius, ζ-potential and surface hydrophobicity were dependent on pH and structure of FA. Transmission electron microscopy (TEM) observation confirmed the fractal morphology and small-angle X-ray scattering (SAXS) analysis suggested an internal fractal structure for the obtained FA particles. Eight cold-set FA protein gels (2 % w/v) were manufactured by controlling two gelling factors at two levels: pH (5.8 and 7.0) and Ca 2+ content (5 mM and 10 mM). Rheological characteristics in the large amplitude oscillatory shear regime revealed that pH 7.0 gels were softer and elastic while pH 5.8 gels were harder and brittle. Rheology Pipkin diagrams demonstrated that the strain softening/stiffening and the shear-thinning/thickening behaviors may be fine-tuned by manipulating the key gelation factors: e.g. FA structure, pH, and Ca 2+ . The entrainment speed-dependent friction coefficient curves showed that at an intermediate velocity regime (6-250 mm s -1 ), FA -90 particles induced hydrogels had superior lubrication effect compared to FA -62 gels. Further, this work demonstrated a food structure design approach regarding tuning texture and lubrication properties of protein gels without changing protein content and protein composition. The optimized protein hydrogels may be used as texturizer for "cleaner label" food formulas and/or as delivery system for carrying micronutrients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

First Ever Polymer Flood Field Pilot to Enhance the Recovery of Heavy Oils on Alaska’s North Slope – Polymer Injection Performance

Alaska North Slope (ANS) holds an estimated 20-30+ billion barrel heavy oil resources, yet the development pace has been very slow due to high development costs and low oil recovery using conventional waterflood and EOR methods. The objective of this pilot is to perform a field experiment to validate the use of an advanced polymer flooding technology to unlock the vast heavy oil resources on ANS. The advanced polymer flooding technology combines polymer flooding, low salinity water flooding, horizontal wells, and if necessary, injection conformance control treatments into one integrated process to significantly improve oil recovery from heavy oil reservoirs. Two pairs of horizontal injection and production wells have been deployed in an isolated fault block of the Schrader Bluff heavy oil reservoir at the Milne Point Field to conduct a polymer flood pilot. The pilot will acquire scientific knowledge and field performance data to optimize polymer flood design in the Schrader Bluff heavy oil reservoirs on ANS. Polymer injection started on August 28, 2018 using a custom made polymer blending and pumping unit. This paper focuses on the facility setup and polymer injection performance into the horizontal injectors drilled and completed in the Schrader Bluff heavy oil reservoir. Partially hydrolyzed polyacrylamide (HPAM) polymer was selected and the initial target viscosity was set at 45 centipoise. Polymer injection rate was set at 2200 bbl/day for one injector (J-23A) and 1200 bbl/day for the other (J-24A) based on production voidage. Injection pressure was controlled at below fracture pressure to prevent fracturing the reservoir and causing fast breakthroughs. Step rate and pressure falloff tests indicate that short term polymer injectivity is similar to water injectivity, which means that injectivity is mostly controlled by fluid mobility deep in the reservoir rather than that in the vicinity of the injection wellbore. Long term injection data indicate that polymer injectivity has been decreasing in both injectors as the reservoir is filled by polymer. No polymer has been observed in the production stream 7 months after the start of polymer injection compared with a 3-month breakthrough time with waterflood. This indicates that polymer significantly delays breakthrough time which will lead to increased sweep efficiency.

Ning, Samson↗
DOE OSTI2025

Evaluating the Origins of Aerobic Oxidation Catalysis with TAM-3, a MOF with Accessible Co(II) Sites and Large Pores

Metal-organic frameworks (MOFs) are attractive platforms that merge concepts of homogeneous and heterogeneous catalysis. Catalyst design and optimization are enabled by an array of synthetic methods that offer independent control over the local chemical structure of lattice-embedded metal ions (i.e., ligand identity and geometry) and the long-range materials properties (i.e., porosity). Establishing the origin of catalytic activity in MOF-promoted reactions remains a significant challenge: The relative rates of catalyst turnover and substrate diffusion dictate the extent to which interstitial sites are accessible and operational in catalysis. To minimize the contributions of surface sites in catalysis, materials with large pore dimensions are often sought, however, the impact of pore expansion on the origins of catalytic activity is similarly challenging to establish. Here, we describe TAM-3, a Co(II) based MOF with accessible metal sites supported by a facially coordinating tris-tetrazole ligand set. TAM-3 features large channel-like pores (17 × 23 Å) and promotes aerobic C−H oxidation and olefin epoxidation. Using a set of simple kinetics experiments, based on the analysis of kinetic isotope effects and olefin oxidation diastereoselectivities, we demonstrate that despite the large pores, interstitial metal ions do not significantly contribute to the observed substrate oxidation. This study highlights the importance of conducting kinetic experiments to assess the origin of apparent catalytic activity with MOFs and the challenge of harnessing reactive oxidants with microporous catalyst materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Supersonic Wing Optimization Using SpaRibs

This research investigates the advantages of using curvilinear spars and ribs, termed SpaRibs, to design a supersonic aircraft wing-box in comparison to the use of classic design concepts that employ straight spars and ribs. The objective is to achieve a more efficient load-bearing mechanism and to passively control the deformation of the structure under the flight loads. Moreover, the use of SpaRibs broadens the design space and allows for natural frequencies and natural mode shape tailoring. The SpaRibs concept is implemented in a new optimization MATLAB-based framework referred to as EBF3SSWingOpt. This optimization scheme performs both the sizing and the shaping of the internal structural elements, connecting the optimizer with the analysis software. The shape of the SpaRibs is parametrically defined using the so called Linked Shape method. Each set of SpaRibs is placed in a one by one square domain of the natural space. The set of curves is subsequently transformed in the physical space for creating the wing structure geometry layout. The shape of each curve of each set is unique; however, mathematical relations link the curvature in an effort to reduce the number of design variables. The internal structure of a High Speed Commercial Transport aircraft concept developed by Boeing is optimized subjected to stress, subsonic flutter and supersonic flutter constraints. The results show that the use of the SpaRibs allows for the reduction of the aircraft's primary structure weight without violating the constraints. A weight reduction of about 15 percent is observed.

Locatelli, David↗
NASA NTRS1995

Rapid Airplane Parametric Input Design (RAPID)

RAPID is a methodology and software system to define a class of airplane configurations and directly evaluate surface grids, volume grids, and grid sensitivity on and about the configurations. A distinguishing characteristic which separates RAPID from other airplane surface modellers is that the output grids and grid sensitivity are directly applicable in CFD analysis. A small set of design parameters and grid control parameters govern the process which is incorporated into interactive software for 'real time' visual analysis and into batch software for the application of optimization technology. The computed surface grids and volume grids are suitable for a wide range of Computational Fluid Dynamics (CFD) simulation. The general airplane configuration has wing, fuselage, horizontal tail, and vertical tail components. The double-delta wing and tail components are manifested by solving a fourth order partial differential equation (PDE) subject to Dirichlet and Neumann boundary conditions. The design parameters are incorporated into the boundary conditions and therefore govern the shapes of the surfaces. The PDE solution yields a smooth transition between boundaries. Surface grids suitable for CFD calculation are created by establishing an H-type topology about the configuration and incorporating grid spacing functions in the PDE equation for the lifting components and the fuselage definition equations. User specified grid parameters govern the location and degree of grid concentration. A two-block volume grid about a configuration is calculated using the Control Point Form (CPF) technique. The interactive software, which runs on Silicon Graphics IRIS workstations, allows design parameters to be continuously varied and the resulting surface grid to be observed in real time. The batch software computes both the surface and volume grids and also computes the sensitivity of the output grid with respect to the input design parameters by applying the precompiler tool ADIFOR to the grid generation program. The output of ADIFOR is a new source code containing the old code plus expressions for derivatives of specified dependent variables (grid coordinates) with respect to specified independent variables (design parameters). The RAPID methodology and software provide a means of rapidly defining numerical prototypes, grids, and grid sensitivity of a class of airplane configurations. This technology and software is highly useful for CFD research for preliminary design and optimization processes.

Smith, Robert E.↗
NASA NTRS1993

Investigation of aerodynamic design issues with regions of separated flow

Existing aerodynamic design methods have generally concentrated on the optimization of airfoil or wing shapes to produce a minimum drag while satisfying some basic constraints such as lift, pitching moment, or thickness. Since the minimization of drag almost always precludes the existence of separated flow, the evaluation and validation of these design methods for their robustness and accuracy when separated flow is present has not been aggressively pursued. However, two new applications for these design tools may be expected to include separated flow and the issues of aerodynamic design with this feature must be addressed. The first application of the aerodynamic design tools is the design of airfoils or wings to provide an optimal performance over a wide range of flight conditions (multipoint design). While the definition of 'optimal performance' in the multipoint setting is currently being hashed out, it is recognized that given a wide range of flight conditions, it will not be possible to ensure a minimum drag constraint at all conditions, and in fact some amount of separated flow (presumably small) may have to be allowed at the more demanding flight conditions. Thus a multipoint design method must be tolerant of the existence of separated flow and may include some controls upon its extent. The second application is in the design of wings with extended high speed buffet boundaries of their flight envelopes. Buffet occurs on a wing when regions of flow separation have grown to the extent that their time varying pressures induce possible destructive effects upon the wing structure or adversely effect either the aircraft controllability or passenger comfort. A conservative approach to the expansion of the buffet flight boundary is to simply expand the flight envelope of nonseparated flow under the assumption that buffet will also thus be alleviated. However, having the ability to design a wing with separated flow and thus to control the location, extent and severity of the separated flow regions may allow aircraft manufacturers to gain an advantage in the early design stages of an aircraft, when configuration changes are relatively inexpensive to make. The goal of the summer research at NASA Langley Research Center (LaRC) was twofold: first, to investigate a particular airfoil design problem observed under conditions of strong shock induced flow separation on the upper surface of an airfoil at transonic conditions; and second, to suggest and investigate design methodologies for the prediction (or detection) and control of flow separation. The context of both investigations was to use an existing two dimensional Navier-Stokes flow solver and the constrained direct/iterative surface curvature (CDISC) design algorithm developed at LaRC. As a lead in to the primary task, it was necessary to gain a familiarity with both the design method and the computational analysis and to perform the FORTRAN coding needed to couple them together.

Gally, Tom↗
NASA NTRS1991

An Exploratory Exercise in Taguchi Analysis of Design Parameters: Application to a Shuttle-to-space Station Automated Approach Control System

The chief goals of the summer project have been twofold - first, for my host group and myself to learn as much of the working details of Taguchi analysis as possible in the time allotted, and, secondly, to apply the methodology to a design problem with the intention of establishing a preliminary set of near-optimal (in the sense of producing a desired response) design parameter values from among a large number of candidate factor combinations. The selected problem is concerned with determining design factor settings for an automated approach program which is to have the capability of guiding the Shuttle into the docking port of the Space Station under controlled conditions so as to meet and/or optimize certain target criteria. The candidate design parameters under study were glide path (i.e., approach) angle, path intercept and approach gains, and minimum impulse bit mode (a parameter which defines how Shuttle jets shall be fired). Several performance criteria were of concern: terminal relative velocity at the instant the two spacecraft are mated; docking offset; number of Shuttle jet firings in certain specified directions (of interest due to possible plume impingement on the Station's solar arrays), and total RCS (a measure of the energy expended in performing the approach/docking maneuver). In the material discussed here, we have focused on single performance criteria - total RCS. An analysis of the possibility of employing a multiobjective function composed of a weighted sum of the various individual criteria has been undertaken, but is, at this writing, incomplete. Results from the Taguchi statistical analysis indicate that only three of the original four posited factors are significant in affecting RCS response. A comparison of model simulation output (via Monte Carlo) with predictions based on estimated factor effects inferred through the Taguchi experiment array data suggested acceptable or close agreement between the two except at the predicted optimum point, where a difference outside a rule-of-thumb bound was observed. We have concluded that there is most likely an interaction effect not provided for in the original orthogonal array selected as the basis for our experimental design. However, we feel that the data indicates that this interaction is a mild one and that inclusion of its effect will not alter the location of the optimum.

Deal, Don E.↗
DOE OSTI2019

Mechanism for spontaneous oxygen and hydrogen evolution reactions on CoO nanoparticles

Overall photocatalytic water splitting with a high efficiency of ~5% has recently been observed for CoO nanoparticle suspensions in the absence of an applied bias or co-catalyst. Although experimental measurements indicate that the overall photocatalytic water splitting is caused by optimal band edge alignments with respect to the redox potentials of water, the mechanism by which H 2 and O 2 simultaneously evolve on these nanoparticles is unknown. Here, we used first-principles density functional theory (DFT) calculations to elucidate the mechanisms for the charge separation and H 2 and O 2 evolution on CoO nanoparticles under illumination in aqueous solution. We demonstrated that electrons are driven to the CoO(100) facet and holes are driven to the hydroxylated CoO(111) facet (OH*–CoO(111)) as a result of the built-in potential arising from the difference in the band edge positions on the two facets. Furthermore, based on a set of criteria, depending on if the photoexcited electrons and holes have sufficient energy to overcome the kinetic barrier along the H 2 and O 2 evolution reaction pathways, respectively, on the relevant surface facet, we show that H 2 evolution preferentially occurs on the CoO(100) facet, while O 2 evolution occurs on the OH*–CoO(111) surface. Our understanding of the overall water splitting mechanism on CoO nanoparticles provides a general explanation for the experimentally observed overall water splitting phenomena on a variety of self-standing photocatalysts, including γ-Ga 2 O 3 , Cu 2 O, and KTaO 3 , without an external driving potential or co-catalyst. In addition, we provide a new strategy for designing novel photocatalysts with high efficiency by controlling their surface configurations and morphologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Findings on Subtask 3.1 - Bakken Rich Gas Enhanced Oil Recovery Project

Total in-place oil for the Bakken petroleum system (BPS) (which includes the Bakken and Three Forks Formations) has been estimated to be 600 billion barrels (bbl). However, BPS wells have decline rates as high as 85% over the first 3 years of their lives, and primary recovery factors typically range from 3% to 10% of original oil in place. Given the low initial recovery rates, even small incremental productivity improvements could dramatically increase technically recoverable oil in the BPS. One potential solution is enhanced oil recovery (EOR) using gas injection, such as carbon dioxide (CO2) or hydrocarbon (HC) gases. While commonly used in conventional reservoirs, CO2 EOR in unconventional tight oil reservoirs has been limited to pilot tests. EOR using rich gas (mixture of methane, ethane, and propane) has also been employed in numerous pilots in several unconventional plays and has recently been successfully applied in the Eagle Ford play. If successful, large-scale gas-based EOR in the BPS could dramatically increase oil productivity and recovery factors and extend the life of the play for decades. While CO2 may be a technically suitable working fluid for EOR in the BPS, supplies are limited and costs for using CO2 in EOR pilots are prohibitively high. Meanwhile, produced gas flaring has presented challenges for BPS operators in North Dakota. Analysis conducted by the North Dakota Pipeline Authority indicates that the current gas-gathering infrastructure in North Dakota is insufficient to accommodate all of the associated gas that is produced from the BPS. The geographically isolated location of North Dakota relative to large natural gas markets, combined with suppressed natural gas prices, has made it economically challenging for industry to invest capital in expanding gas-gathering infrastructure in the state. These circumstances led to a research program conducted by the Energy & Environmental Research Center (EERC) in partnership with Liberty Resources Management Company LLC (LR) to examine the potential to use rich gas injection for EOR and mitigate flaring. A rich gas EOR pilot test was designed and executed by LR at its Stomping Horse development area in Williams County, North Dakota. From July 2018 through May 2019, a total of 160 million standard cubic feet (MMscf) of rich produced gas was injected into the BPS using five different wells in a sequential injection strategy. LR’s Leon–Gohrick drill spacing unit (DSU) was used as the test site. Regulatory oversight was provided by the North Dakota Industrial Commission (NDIC). Technical support was provided by the EERC through a series of laboratory, modeling, and field-based activities, and additional post-pilot research activities incorporated learnings from the test, developed new laboratory data, improved fracture modeling methods, and developed machine learning and big data analytics. The results from the Stomping Horse rich gas EOR pilot activities indicate that developing an effective, economical EOR approach for the BPS will require more field tests. Another key lesson learned from the Stomping Horse tests is that detailed pre- and posttest data on reservoir conditions and fluids production are essential. Robust reservoir characterization provides information that is crucial to creating realistic geomodels and conducting valid dynamic simulations of potential EOR scenarios. A detailed understanding of the completions and production history of offset wells is also necessary for valid test result interpretations. This knowledge is essential to designing the operational parameters of injectivity tests and interpreting the results. A conformance control strategy is also essential to success. Laboratory-based examinations of rich gas interactions with reservoir fluids and rocks were conducted, with an emphasis on determining the ability to mobilize oil in the tight reservoir rocks and shales of the BPS. Injection fluid composition was shown to have a positive impact on reducing reservoir oil minimum miscibility pressure (MMP), reducing interfacial tension (IFT), and altering wettability. IFT and contact angle measurements demonstrated that wettability can be altered in the presence of rich gas, suggesting the potential to improve oil recovery. Iterative modeling of surface infrastructure and reservoir performance using data generated by the various project activities was conducted. A geologic model of the Stomping Horse area was built; history-matched oil, gas, and water production was used in simulations of various EOR scenarios. Early programmatic modeling results were used to support LR’s design and operation of the EOR pilot and to provide insight regarding optimization of future commercial-scale BPS EOR design and operations. Post-pilot modeling focused on alternative methods of understanding complex fracture networks and accelerating simulation time. These led to improved simulation run times and provide excellent history-matching results. Several of these iterative models were used as the bases for developing algorithms into machine learning and big data analytics. History matching in reservoir simulation is time-consuming and computer processing-intensive. Machine learning algorithms were created, and an automated history-matching tool was developed. A large set of synthetic reservoir simulations were created to generate well responses (oil, gas, and water production, well bottomhole pressure [BHP], and tracer or propane breakthrough) for a set of EOR operating parameters that included offset well status (open or closed), injectate (rich gas or propane), injection rate, and injection well BHP. A user interface was developed to provide real-time visualization. Machine learning-based models were developed to provide rapid forecasting of well performance given a set of user-defined EOR operating parameters. These predictive models allow the user to modify the offset well status, injection rate, and injection well BHP and rapidly forecast future production performance. The combination of real-time visualization tools with real-time forecasting tools provides a framework for real-time control—operational changes that the EOR site operator can enact (e.g., changing gas injection rates) to affect the observed performance and potentially improve the EOR outcome. There is great reason to be optimistic about the future of EOR in the Bakken. The results of the laboratory studies suggest significant potential for high rates of oil mobilization using produced field gas injection under the right conditions. The results of the lab studies, combined with rigorous statistical analysis of well production data and associated modeling efforts, confirm the notion that fluid mobility within the reservoir is controlled by fractures. As more knowledge is gained about the nature and distribution of fracture networks in the Bakken, the industry will be in a better position to predict and, ultimately, influence fluid mobility. New field tests are necessary to develop a more complete understanding of those conditions. Thoughtful and creatively engineered field tests within a well-characterized geologic setting will yield the fundamental knowledge needed to take Bakken oil production to the next level. This subtask was cofunded through the EERC–U.S. Department of Energy Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by the North Dakota Industrial Commission’s Oil and Gas Research Program and Computer Modelling Group.

04 OIL SHALES AND TAR SANDS↗