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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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At least 595 records · Page 33

Development of a Fowler flap system for a high performance general aviation airfoil

A two-dimensional wind-tunnel evaluation of two Fowler flap configurations on the new GA(W)-1 airfoil was conducted. One configuration used a computer-designed 29-percent chord Fowler flap. The second configuration was modified to have increased Fowler action with a 30-percent chord flap. Force, pressure, and flow-visualization data were obtained at Reynolds numbers of 2.2 million to 2.9 million. Optimum slot geometry and performance were found to be close to computer predictions. A C sub L max of 3.8 was achieved. Optimum flap deflection, slot gap, and flap overlap are presented as functions of C sub L. Tests were made with the lower surface cusp filled in to show the performance penalties that result. Some data on the effects of adding vortex generators and hinged-plate spoilers were obtained.

Wentz, W. H., Jr.↗

Development of Curved-Plate Elements for the Exact Buckling Analysis of Composite Plate Assemblies Including Transverse-Shear Effects

The analytical formulation of curved-plate non-linear equilibrium equations including transverse-shear-deformation effects is presented. The formulation uses the principle of virtual work. A unified set of non-linear strains that contains terms from both physical and tensorial strain measures is used. Linearized, perturbed equilibrium equations (stability equations) that describe the response of the plate just after buckling occurs are then derived after the application of several simplifying assumptions. These equations are then modified to allow the reference surface of the plate to be located at a distance z(sub c) from the centroidal surface. The implementation of the new theory into the VICONOPT exact buckling and vibration analysis and optimum design computer program is described as well. The terms of the plate stiffness matrix using both Classical Plate Theory (CPT) and first-order Shear-Deformation Plate Theory (SDPT) are presented. The necessary steps to include the effects of in-plane transverse and in-plane shear loads in the in-plane stability equations are also outlined. Numerical results are presented using the newly implemented capability. Comparisons of results for several example problems with different loading states are made. Comparisons of analyses using both physical and tensorial strain measures as well as CPT and SDPF are also made. Results comparing the computational effort required by the new analysis to that of the analysis currently in the VICONOPT program are presented. The effects of including terms related to in-plane transverse and in-plane shear loadings in the in-plane stability equations are also examined. Finally, results of a design-optimization study of two different cylindrical shells subject to uniform axial compression are presented.

McGowan, David Michael↗

Development of Curved-Plate Elements for the Exact Buckling Analysis of Composite Plate Assemblies Including Transverse-Shear Effects

The analytical formulation of curved-plate non-linear equilibrium equations including transverse-shear-deformation effects is presented. A unified set of non-linear strains that contains terms from both physical and tensorial strain measures is used. Linearized, perturbed equilibrium equations (stability equations) that describe the response of the plate just after buckling occurs are derived. These equations are then modified to allow the plate reference surface to be located a distance z(sub c) from the centroidal surface. The implementation of the new theory into the VICONOPT exact buckling and vibration analysis and optimum design computer program is described. The terms of the plate stiffness matrix using both classical plate theory (CPT) and first-order shear-deformation plate theory (SDPT) are presented. The effects of in-plane transverse and in-plane shear loads are included in the in-plane stability equations. Numerical results for several example problems with different loading states are presented. Comparisons of analyses using both physical and tensorial strain measures as well as CPT and SDPT are made. The computational effort required by the new analysis is compared to that of the analysis currently in the VICONOPT program. The effects of including terms related to in-plane transverse and in-plane shear loadings in the in-plane stability equations are also examined. Finally, results of a design-optimization study of two different cylindrical shells subject to uniform axial compression are presented.

McGowan, David M.↗

Design optimization of transonic airfoils

Numerical optimization procedures were considered for the design of airfoils in transonic flow based on the transonic small disturbance (TSD) and Euler equations. A sequential approximation optimization technique was implemented with an accurate approximation of the wave drag based on the Nixon's coordinate straining approach. A modification of the Euler surface boundary conditions was implemented in order to efficiently compute design sensitivities without remeshing the grid. Two effective design procedures producing converged designs in approximately 10 global iterations were developed: interchanging the role of the objective function and constraint and the direct lift maximization with move limits which were fixed absolute values of the design variables.

Joh, C.-Y.↗

Architector

Architector is a 3D chemical structure generation software package designed to take minimal 2D information about ligands and metal centers and generates chemically sensible 3D conformers and stereochemistry of the organometallic compounds. Architector is capable of high-throughput in-silico construction of s-, p-, d-, and f-block organometallic complexes. Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.

Yang, Ping↗

An algorithm for automatic reduction of complex signal flow graphs

A computer algorithm is developed that provides efficient means to compute transmittances directly from a signal flow graph or a block diagram. Signal flow graphs are cast as directed graphs described by adjacency matrices. Nonsearch computation, designed for compilers without symbolic capability, is used to identify all arcs that are members of simple cycles for use with Mason's gain formula. The routine does not require the visual acumen of an interpreter to reduce the topology of the graph, and it is particularly useful for analyzing control systems described for computer analyses by means of interactive graphics.

Young, K. R.↗

Generalized Brønsted‐Evans‐Polanyi Relationships for Reactions on Metal Surfaces from Machine Learning

Abstract Brønsted‐Evans‐Polanyi (BEP) relationships, i. e., a linear scaling between reaction and activation energies, lie at the core of computational design of heterogeneous catalysts. However, BEPs are not general and often require reparameterization for each class of reactions. Here we construct generalized BEPs (gBEPs), which can predict activation energies for a diverse dataset of reactions of C, O, N and H containing molecules on metal surfaces. In a first step we develop a set of descriptors based on scaling relationships that can capture the change in chemical identity of reactants during the reaction. Subsequently, we use the reaction energy, these descriptors and a single descriptor for the surface structure to parameterize machine learning based regression approaches for the prediction of activation energies. The best approach we developed shows a Mean Absolute Error (MAE) of 0.11 eV for the training set (80 % of the data set) and 0.23 eV for the test set (20 % of the data set). The methodology presented here allows to calculate activation energies within fractions of seconds on a typical personal computer and due to its generality, accuracy and simplicity in application it might prove to be useful in transition metal catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exploration of operator method digital optical computers for application to NASA

Digital optical computer design has been focused primarily towards parallel (single point-to-point interconnection) implementation. This architecture is compared to currently developing VHSIC systems. Using demonstrated multichannel acousto-optic devices, a figure of merit can be formulated. The focus is on a figure of merit termed Gate Interconnect Bandwidth Product (GIBP). Conventional parallel optical digital computer architecture demonstrates only marginal competitiveness at best when compared to projected semiconductor implements. Global, analog global, quasi-digital, and full digital interconnects are briefly examined as alternative to parallel digital computer architecture. Digital optical computing is becoming a very tough competitor to semiconductor technology since it can support a very high degree of three dimensional interconnect density and high degrees of Fan-In without capacitive loading effects at very low power consumption levels.

Source record↗

From Structured Solvents to Hybrid Materials (SS2HM) for Chemically Selective Capture and Electromagnetic Release of CO 2 : Mechanisms, Stability and Interfaces (Final Report)

The goal of this research program was to develop high capacity sorbents amenable for alternative regeneration approaches for direct air capture (DAC) of CO 2 . In particular, the research aimed to develop an understanding of CO 2 binding mechanism, thermal and oxidative stability, and regeneration energetics of functionalized ionic liquids (ILs), deep eutectic solvents (DESs), and porous materials. ILs and DESs are high-dielectric solvents with structural tunability that permits the rational-design for energy-efficient regeneration approaches based on electromagnetic (EM) field and moisture-swing. By further incorporating these solvents into polymeric capsules and other structural supports, multi-scale interfaces for targeted CO 2 and energy transfers were achieved. Aspects related to CO 2 capacity, selectivity, stability, dielectric properties, and binding energies were examined through experimental and computational design to identify molecular descriptors to inform future design of structured solvents and hybrid materials for DAC. Enclosed final report details the key findings, science advancements, and workforce development efforts from this project.

36 MATERIALS SCIENCE↗

Design and Evaluation of Environmental Barrier Coatings for Protection of Ceramic Matrix Composites in Hydrogen-Based Turbines

This presentation at the 2024 FECM Spring Project Review Meeting summarizes ongoing work at NETL aimed at enabling the use of ceramic matrix composite (CMC) materials in next-generation high-efficiency power generation turbines fueled by hydrogen, natural gas, or other fuels. The work broadly involves three aspects (1) phase-field damage modeling of CMCs and the environmental barrier coatings (EBCs) used to protect them (2) computational design of new and improved EBCs and (3) performance testing of EBCs using a novel gas turbine combustion simulation rig developed at NETL. An overview on current status and next steps for each aspect of the project are presented.

ceramic matrix composite (CMC)↗

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part II: Enforcing the Lorenz Gauge Condition

In a previous paper Christlieb et al. (A particle-in-cell method for plasmas with a generalized momentum formulation, part I: Model formulation, 2024), we developed a new particle-in-cell (PIC) method for the relativistic Vlasov–Maxwell system in which the electromagnetic fields and the equations of motion for the particles were cast in terms of scalar and vector potentials through a Hamiltonian formulation. This new method evolved the potentials under the Lorenz gauge using integral equation methods. New methods to construct spatial derivatives of the potentials that converge at the same rates as the fields were also presented. The new particle method was compared against standard explicit discretizations, including the well-known FDTD-PIC method, for a range of applications involving sheaths and particle beams. Here, this paper extends this new class of methods by focusing on the enforcement the Lorenz gauge condition in both exact and approximate forms using co-located meshes. A time-consistency property of the proposed field solver for the vector potential form of Maxwell’s equations is established, which is shown to preserve the equivalence between the semi-discrete Lorenz gauge condition and the analogous semi-discrete continuity equation. Using this property, we present three methods to enforce a semi-discrete gauge condition. The first method introduces an update for the continuity equation that is consistent with the discretization of the Lorenz gauge condition. Both the finite difference and spectral implementations satisfy this discrete gauge condition to machine precision. The second approach we propose enforces a semi-discrete continuity equation using the boundary integral solution to the field equations. The potential benefit of this approach is that it eliminates spatial derivatives that appear on the particle data, namely the current density, which is often calculated by linear combinations of low-order spline basis functions. This method is ideally suited to boundary integral equation methods that invert multi-dimensional operators without dimensional splitting techniques and will be the subject of future work. The third approach introduces a gauge correcting method that makes direct use of the gauge condition to modify the scalar potential and uses local maps for both the charge and current densities. This results in a gauge error, as the maps do not enforce the continuity equation. The vector potential coming from the current density is taken to be exact, and using the Lorenz gauge, we compute a correction to the scalar potential that makes the two potentials satisfy the gauge condition. This method also enforces the gauge condition to machine precision. We demonstrate two of the proposed methods in the context of periodic domains. Problems defined on bounded domains, including those with complex geometric features remain an ongoing effort. However, this work shows that it is possible to design computationally efficient methods that can effectively enforce the Lorenz gauge condition in a non-staggered PIC formulation.

97 MATHEMATICS AND COMPUTING↗

Performance of Oil Pumping Rings: An Analytical and Experimental Study

A steady-state design computer program was developed to predict the performance of pumping rings as functions of geometry, applied loading, speed, ring modulus, and fluid viscosity. Additional analyses were developed to predict transient behavior of the ring and the effects of temperature rises occurring in the hydrodynamic film between the ring and shaft. The analysis was initially compared with previous experimental data and then used to design additional rings for further testing. Tests were performed with Rulon, carbon-graphite, and babbit rings. The design analysis was used to size all of the rings and to select the ranges of clearances, thickness, and loading. Although full quantitative agreement was lacking, relative agreement existed in that rings that were predicted to perform well theoretically, generally performed well experimentally. Some causes for discrepanices between theory and experiment are believed to be due to starvation, leakage past the secondary seal at high pressures, and uncertainties in the small clearances and local inlet temperatures to the pumping ring. A separate preliminary analysis was performed for a pumping Leningrader seal. This anlaysis can be used to predict the film thickness and flow rate thr ough the seal as a function of pressure, speed, loading, and geometry.

Eusepi, M. W.↗

Highly Permeable Rubbery Thin Film Composite Membranes for CO2 Capture from Steel Mills

This presentation will report the rational design and fabrication of NETL’s highly permeable non-aging thin film composite (TFC) membranes for CO2 capture from various industrial point sources. This talk will also cover the design, computational fluid dynamic simulation, 3D printing, and permeation testing of plate-and-frame membrane modules for an upcoming field demonstration at U. S. Steel’s Edgar Thomson Plant in Braddock, PA. The field test will demonstrate membrane-based CO2 capture from a blast furnace for decarbonization of steel manufacturing for the first time in the U.S. A mobile gas permeation test unit is currently under design and construction for the field test, which is scheduled to take place in 2025.

Zhu, Lingxiang↗

BEAMR: An interactive graphic computer program for design of charged particle beam transport systems

A computer program for a PDP-15 is presented which calculates, to first order, the characteristics of charged-particle beam as it is transported through a sequence of focusing and bending magnets. The maximum dimensions of the beam envelope normal to the transport system axis are continuously plotted on an oscilloscope as a function of distance along the axis. Provision is made to iterate the calculation by changing the types of magnets, their positions, and their field strengths. The program is especially useful for transport system design studies because of the ease and rapidity of altering parameters from panel switches. A typical calculation for a system with eight elements is completed in less than 10 seconds. An IBM 7094 version containing more-detailed printed output but no oscilloscope display is also presented.

Leonard, R. F.↗

Improving Safety on the International Space Station: Transitioning to Electronic Emergency Procedure Books on the International Space Station

The National Aeronautics and Space Administration (NASA) originally designed the International Space Station (ISS) to operate until 2015, but have extended operations until at least 2020. As part of this very dynamic Program, there is an effort underway to simplify the certification of Commercial ]of ]the ]Shelf (COTS) hardware. This change in paradigm allows the ISS Program to take advantage of technologically savvy and commercially available hardware, such as the iPad. The iPad, a line of tablet computers designed and marketed by Apple Inc., was chosen to support this endeavor. The iPad is functional, portable, and could be easily accessed in an emergency situation. The iPad Electronic Flight Bag (EFB), currently approved for use in flight by the Federal Aviation Administration (FAA), is a fraction of the cost of a traditional Class 2 EFB. In addition, the iPad fs ability to use electronic aeronautical data in lieu of paper in route charts and approach plates can cut the annual cost of paper data in half for commercial airlines. ISS may be able to benefit from this type of trade since one of the most important factors considered is information management. Emergency procedures onboard the ISS are currently available to the crew in paper form. Updates to the emergency books can either be launched on an upcoming visiting vehicle such as a Russian Soyuz flight or printed using the onboard ISS printer. In both cases, it is costly to update hardcopy procedures. A new operations concept was proposed to allow for the use of a tablet system that would provide a flexible platform to support space station crew operations. The purpose of the system would be to provide the crew the ability to view and maintain operational data, such as emergency procedures while also allowing Mission Control Houston to update the procedures. The ISS Program is currently evaluating the safety risks associated with the use of iPads versus paper. Paper products can contribute to the flammability risk and require manual updates that take time away from research tasks. The ISS program has recently purchased three iPads for the astronauts and the certification has been approved. The crew is currently using the iPads onboard. The results of this analysis could be used to discern whether the iPad is a viable option for use in emergencies by assessing the risk posture through the development of a quantitative probabilistic risk assessment (PRA).

Carter-Journet, Katrina↗

Simultaneous enhancement of multiple functional properties using evolution-informed protein design

Abstract A major challenge in protein design is to augment existing functional proteins with multiple property enhancements. Altering several properties likely necessitates numerous primary sequence changes, and novel methods are needed to accurately predict combinations of mutations that maintain or enhance function. Models of sequence co-variation (e.g., EVcouplings), which leverage extensive information about various protein properties and activities from homologous protein sequences, have proven effective for many applications including structure determination and mutation effect prediction. We apply EVcouplings to computationally design variants of the model protein TEM-1 β -lactamase. Nearly all the 14 experimentally characterized designs were functional, including one with 84 mutations from the nearest natural homolog. The designs also had large increases in thermostability, increased activity on multiple substrates, and nearly identical structure to the wild type enzyme. This study highlights the efficacy of evolutionary models in guiding large sequence alterations to generate functional diversity for protein design applications.

59 BASIC BIOLOGICAL SCIENCES↗