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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 109 records · Page 6

Deriving the intermediate spectra and photocycle kinetics from time-resolved difference spectra of bacteriorhodopsin. The simpler case of the recombinant D96N protein

The bacteriorhodopsin photocycle contains more than five spectrally distinct intermediates, and the complexity of their interconversions has precluded a rigorous solution of the kinetics. A representation of the photocycle of mutated D96N bacteriorhodopsin near neutral pH was given earlier (Varo, G., and J. K. Lanyi. 1991. Biochemistry. 30:5008-5015) as BRhv-->K<==>L<==>M1-->M2--> BR. Here we have reduced a set of time-resolved difference spectra for this simpler system to three base spectra, each assumed to consist of an unknown mixture of the pure K, L, and M difference spectra represented by a 3 x 3 matrix of concentration values between 0 and 1. After generating all allowed sets of spectra for K, L, and M (i.e., M1 + M2) at a 1:50 resolution of the matrix elements, invalid solutions were eliminated progressively in a search based on what is expected, empirically and from the theory of polyene excited states, for rhodopsin spectra. Significantly, the average matrix values changed little after the first and simplest of the search criteria that disallowed negative absorptions and more than one maximum for the M intermediate. We conclude from the statistics that during the search the solutions strongly converged into a narrow region of the multidimensional space of the concentration matrix. The data at three temperatures between 5 and 25 degrees C yielded a single set of spectra for K, L, and M; their fits are consistent with the earlier derived photocycle model for the D96N protein.

NASA Program Exobiology↗

Structural Optimization Using the Newton Modified Barrier Method

The Newton Modified Barrier Method (NMBM) is applied to structural optimization problems with large a number of design variables and constraints. This nonlinear mathematical programming algorithm was based on the Modified Barrier Function (MBF) theory and the Newton method for unconstrained optimization. The distinctive feature of the NMBM method is the rate of convergence that is due to the fact that the design remains in the Newton area after each Lagrange multiplier update. This convergence characteristic is illustrated by application to structural problems with a varying number of design variables and constraints. The results are compared with those obtained by optimality criteria (OC) methods and by the ASTROS program.

Khot, N. S.↗

Fluorescence Imaging Study of Transition in Underexpanded Free Jets

Planar laser-induced fluorescence (PLIF) is demonstrated to be a valuable tool for studying the onset of transition to turbulence. For this study, we have used PLIF of nitric oxide (NO) to image underexpanded axisymmetric free jets issuing into a low-pressure chamber through a smooth converging nozzle with a sonic orifice. Flows were studied over a range of Reynolds numbers and nozzle-exit-to-ambient pressure ratios with the aim of empirically determining criteria governing the onset of turbulence. We have developed an image processing technique, involving calculation of the standard deviation of the intensity in PLIF images, in order to aid in the identification of turbulence. We have used the resulting images to identify laminar, transitional and turbulent flow regimes. Jet scaling parameters were used to define a rescaled Reynolds number that incorporates the influence of a varying pressure ratio. An empirical correlation was found between transition length and this rescaled Reynolds number for highly underexpanded jets.

Wilkes, Jennifer A.↗

On the accuracy of the pseudocompressibility method in solving the incompressible Navier-Stokes equations

The method of pseudocompressibility is tested for its accuracy in solving the incompressible Navier-Stokes equations. An implicit, finite difference computer code is used to solve the equations in a three-dimensional, curvilinear coordinate system. The code employs artificial compressibiity for solving the pressure field, coupled with an implicit, approximate factorization scheme. This coupling is known as the pseudocompressibility method and introduces pressure waves of finite speed into the fluid medium that would otherwise have an infinite sound speed. The waves die out as the solution converges, and the steady state solution approaches a divergence-free condition. These waves, however, limit the time accuracy of the computations. The effects of these waves are analysed and criteria are set for choosing the pseudocompressibility parameter that governs the pressure wave speed; test cases are presented that verify these criteria. The code is tested by computing laminar flow over a two-dimensional, backward-facing step and over a two-dimensional, impulsively started circular cylinder.

Rogers, S. E.↗

The Fusion Driven Rocket: Nuclear Propulsion through Direct Conversion of Fusion Energy

The future of manned space exploration and development of space depends critically on the creation of a dramatically more efficient propulsion architecture for in-space transportation. A very persuasive reason for investigating the applicability of nuclear power in rockets is the vast energy density gain of nuclear fuel when compared to chemical combustion energy. The Fusion Driven rocket (FDR) represents a revolutionary approach to fusion propulsion where the power source releases its energy directly into the propellant, not requiring conversion to electricity. It employs a solid lithium propellant that requires no significant tankage mass. The propellant is rapidly heated and accelerated to high exhaust velocity (> 30 km/s), while having no substantial physical interaction with the spacecraft thereby avoiding damage to the rocket and limiting both the thermal heat load and radiator mass. The key to achieving this stems from research at MSNW and the UW on the magnetically driven implosion of metal foils onto a magnetized plasma target to obtain fusion conditions. A logical extension of this work leads to a method that utilizes these metal shells (or liners) to not only achieve fusion conditions, but to serve as the propellant as well. Several low-mass, magnetically driven metal liners are inductively driven to converge radially and axially and form a thick blanket surrounding the target plasmoid and compress the plasmoid to fusion conditions. Virtually all of the radiant, neutron and particle energy from the plasma is absorbed by the encapsulating, thick metal blanket thereby isolating the spacecraft from the fusion. This energy, in addition to the intense Ohmic heating at peak magnetic field compression, is adequate to vaporize and ionize the metal blanket. The expansion of this hot, ionized metal propellant through a magnetically insulated nozzle produces high thrust at the optimal Isp. The energy from the fusion process, along with the waste heat, is thus utilized at very high efficiency. The basic scheme for FDR is illustrated and described in the report (see Fig. 2) The two most critical issues in meeting challenges introduced employing magneto-inertial fusion as the power source is driver efficiency and “stand-off” – the ability to isolate and protect fusion and thruster from the resultant fusion energy. By employing metal shells for compression, it is possible to produce the desired convergent motion inductively by inserting the metal sheets along the inner surface of cylindrical or conically tapered coils. Both stand-off and energy efficiency issues are solved by this arrangement. 3 This two year effort focused on achieving three key criteria for the Fusion Driven Rocket to move forward for technological development: (1) the physics of the FDR must be fully understood and validated, (2) the design and technology development for the FDR required for its implementation in space must be fully characterized, and (3) an in-depth analysis of the rocket design and spacecraft integration as well as mission architectures enabled by the FDR need to be performed. A subscale, laboratory liner compression test facility was assembled at the University of Washington Plasma Dynamics Laboratory with sufficient liner kinetic energy (~ 0.5 MJ) to reach conditions required for fusion breakeven conditions. Detailed experimental studies of the dynamic behavior of the driven liners as well as liner convergence and magnetic compression were performed. The development of both the 1D liner dynamics code and the full 3D ANSYS® liner calculations was achieved. The characterization of both the FDR and spacecraft as well as a design architecture analysis was conducted that included an examination of a wide range of mission architectures and destinations for which this fusion propulsion system would be enabling or critical. In particular a rapid, single launch manned Mars mission was developed.

Energy↗

On the accuracy of the pseudocompressibility method in solving the incompressible Navier-Stokes equations

The method of pseudocompressibility is being tested for its accuracy in solving the incompressible Navier-Stokes equations. An implicit, finite-difference computer code is used to solve the equations in a three-dimensional, curvilinear coordinate system. The code employs artificial compressibility for solving the pressure field, coupled with an implicit, approximate-factorization scheme. This coupling is known as the pseudocompressibility method. The pseudocompressibility method introduces pressure waves of finite speed into the fluid medium that would otherwise have an infinite sound speed. The waves die out as the solution converges, and the steady state solution approaches a divergence-free condition. However, these waves limit the time-accuracy of the computations. The effects of these waves are analyzed and criteria are set for choosing the pseudocompressibility parameters that govern the pressure wave speed. Test cases are presented that verify these criteria. The code is tested by computing laminar flow over a two-dimensional, backward-facing step and over a two-dimensional, impulsively started circular cylinder.

Rogers, S. E.↗

Development of microcomputer-based mental acuity tests for repeated-measures studies

The purpose of this report is to detail the development of the Automated Performance Test System (APTS), a computer battery of mental acuity tests that can be used to assess human performance in the presence of toxic elements and environmental stressors. There were four objectives in the development of APTS. First, the technical requirements for developing APTS followed the tenets of the classical theory of mental tests which requires that tests meet set criteria like stability and reliability (the lack of which constitutes insensitivity). To be employed in the study of the exotic conditions of protracted space flight, a battery with multiple parallel forms is required. The second criteria was for the battery to have factorial multidimensionality and the third was for the battery to be sensitive to factors known to compromise performance. A fourth objective was for the tests to converge on the abilities entailed in mission specialist tasks. A series of studies is reported in which candidate APTS tests were subjected to an examination of their psychometric properties for repeated-measures testing. From this work, tests were selected that possessed the requisite metric properties of stability, reliability, and factor richness. In addition, studies are reported which demonstrate the predictive validity of the tests to holistic measures of intelligence.

Kennedy, R. S.↗

Concepts for radically increasing the numerical convergence rate of the Euler equations

Integral equation and finite difference methods have been developed for solving transonic flow problems using linearized forms of the transonic small disturbance and Euler equations. A key element is the use of a strained coordinate system in which the shock remains fixed. Additional criteria are developed to determine the free parameters in the coordinate straining; these free parameters are functions of the shock location. An integral equation analysis showed that the shock is located by ensuring that no expansion shocks exist in the solution. The expansion shock appears as oscillations in the solution near the sonic line, and the correct shock location is determined by removing these oscillations. A second objective was to study the ability of the Euler equation to model separated flow.

Nixon, David↗

Constructing Simplified Plans via Truth Criteria Approximation

This paper has presented an approach to dealing with the complexity of explanation-based learning plans in complex domains. This approach uses a simplified algorithm to construct plans, and employs later refinements to repair bugs in constructed plans. This algorithm has the theoretical properties of completeness and convergence upon soundness. This incremental reasoning planning and learning algorithm has been implemented using a partial-order constraint posting planner and empirically compared to a conventional exhaustive reasoning partial-order constraint-posting planner and learning algorithm. This comparison showed that 1) incremental reasoning significantly reduced learning costs compared to exhaustive reasoning, 2) Explanation-based Learning (EBL) reduced failures from incremental reasoning, 3) EBL with incremental reasoning required less search to solve problems than EBL with exhaustive reasoning.

Explanation-based learning EBL incremental reasoni↗

Optimization of Antenna Structure Design

Optimality criteria design is applied for large antenna structures with multiple constraints on microwave performance. The constraints are on accuracy of the structure: restrictions on the microwave pathlength error, and the antenna pointing error. The examples given show convergence to low-weight feasible designs that satisfy the constraints. Truss-member sizes are automatically selected from tables of commercially available structural shapes, and approximations results from the method of selection are found moderate. The multiple constraint design is shown to be more effective in meeting constraints than the old envelop method. For practical structures, the new design method can be performed within reasonable core size and computation time.

Levy, R.↗

Elastic-plastic mixed-iterative finite element analysis: Implementation and performance assessment

An elastic-plastic algorithm based on Von Mises and associative flow criteria is implemented in MHOST-a mixed iterative finite element analysis computer program developed by NASA Lewis Research Center. The performance of the resulting elastic-plastic mixed-iterative analysis is examined through a set of convergence studies. Membrane and bending behaviors of 4-node quadrilateral shell finite elements are tested for elastic-plastic performance. Generally, the membrane results are excellent, indicating the implementation of elastic-plastic mixed-iterative analysis is appropriate.

Sutjahjo, Edhi↗

Code Verification and Solution Verification framework in pin-resolved neutron transport code MPACT

Program verification in scientific computing encompasses the application of formal and mathematical techniques to a scientific computing code for its credibility, accuracy, and validity. Code Verification identifies bugs and performance issues in the software development stage. Solution Verification assesses the applicability of the code and the accuracy of the solution to problems of interest. Both activities utilize application cases and quantify the error against prescribed acceptance criteria. However, simply executing more application cases does not guarantee stronger or more comprehensive credibility. Here, we establish a verification framework that involves Code Verification and Solution Verification, both of which work together such that the overarching goal of “converge to the correct answer for the intended application” can be reasonably inferred. The application of such a verification framework is demonstrated using the pin-resolved neutron transport code MPACT, where standard unit tests and regression tests are covered, and where the Method of Exact Solutions and the Method of Manufactured Solutions are successfully used. Additionally, the applicability of Method of Manufactured Solutions is extended to the OECD/NEA C5G7 benchmark problems of practical material and geometric configurations. Solution Verification activities are demonstrated on a practical hierarchy of application models of increasing complexity ranging from 2D pin cell problems to 3D assembly problems. The convergence behavior and rate of convergence with respect to each individual variable are studied and provided. This framework can be adapted broadly to other fields involving scientific computing codes.

97 MATHEMATICS AND COMPUTING↗

Buckling of Low Arches or Curved Beams of Small Curvature

A general solution, based on the classical buckling criterion, is given for the problem of buckling of low arches under a lateral loading acting toward the center of curvature. For a sinusoidal arch under sinusoidal loading, the critical load can be expressed exactly as a simple function of the beam dimension parameters. For other arch shapes and load distributions, approximate values of the critical load can be obtained by summing a few terms of a rapidly converging Fourier series. The effects of initial end thrust and axial and lateral elastic support are discussed. The buckling load based on energy criterion of Karman and Tsien is also calculated. Results for both the classical and the energy criteria are compared with experimental results.

Fung, Y C↗

Experimental Study of Collision Detection Schema Used by Pilots During Closely Spaced Parallel Approaches

An experimental flight simulator study was conducted to examine the mental alerting logic and thresholds used by subjects to issue an alert and execute an avoidance maneuver. Subjects flew a series of autopilot landing approaches with traffic on a closely-spaced parallel approach; during some runs, the traffic would deviate towards the subject and the subject was to indicate the point when they recognized the potential traffic conflict, and then indicate a direction of flight for an avoidance maneuver. A variety of subjects, including graduate students, general aviation pilots and airline pilots, were tested. Five traffic displays were evaluated, with a moving map TCAS-type traffic display as a baseline. A side-task created both high and low workload situations. Subjects appeared to use the lateral deviation of the intruder aircraft from its approach path as the criteria for an alert regardless of the display available. However, with displays showing heading and/or trend information, their alerting thresholds were significantly lowered. This type of range-only schema still resulted in many near misses, as a high convergence rate was often established by the time of the subject's alert. Therefore, the properties of the intruder's trajectory had the greatest effect on the resultant near miss rate; no display system reliably caused alerts timely enough for certain collision avoidance. Subjects' performance dropped significantly on a side-task while they analyzed the need for an alert, showing alert generation can be a high workload situation at critical times. No variation was found between subjects with and with out piloting experience. These results suggest the design of automatic alerting systems should take into account the range-type alerting schema used by the human, such that the rationale for the automatic alert should be obvious to, and trusted by, the operator. Although careful display design may help generate pilot/automation trust, issues such as user non-conformance to automatically generated commands can remain a possibility.

Pritchett, Amy R.↗

A unified hp-HDG framework for Friedrichs' PDE systems

Here, this work proposes a unified hp-adaptivity framework for hybridized discontinuous Galerkin (HDG) method for a large class of partial differential equations (PDEs) of Friedrichs' type. In particular, we present unified hp-HDG formulations for abstract one-field and two-field structures and prove their well-posedness. In order to handle non-conforming interfaces we simply take advantage of HDG built-in mortar structures. With split-type mortars and the approximation space of trace, a numerical flux can be derived via Godunov approach and be naturally employed without any additional treatment. As a consequence, the proposed formulations are parameter-free. We perform several numerical experiments for time-independent and linear PDEs including elliptic, hyperbolic, and mixed-type to verify the proposed unified hp-formulations and demonstrate the effectiveness of hp-adaptation. Two adaptivity criteria are considered: one is based on a simple and fast error indicator, while the other is rigorous but more expensive using an adjoint-based error estimate. The numerical results show that these two approaches are comparable in terms of convergence rate even for problems with strong gradients, discontinuities, and singularities.

97 MATHEMATICS AND COMPUTING↗

Core Design of the Holos-Quad Microreactor

The Holos-Quad micro-reactor concept, developed by HolosGen LLC, is equipped with a 22 MWt (Mega-Watt thermal) core and an integral power conversion system converting the core thermal energy into approximately 10 MWe (Mega-Watt electric). This design can be configured to support a wide range of applications. It is a very innovative high-temperature gas-cooled reactor concept using TRI-structural ISOtropic particle fuel (TRISO) distributed in graphite hexagonal blocks, cooled with helium in a direct Brayton cycle independently executed by four Subcritical Power Modules (SPMs) fitted into a hardened 40-foot container whose dimensions are in compliance with ISO shipping containers requirements. In FY2019 HolosGen LLC was awarded by the Department of Energy Advanced Research Project Agency-Energy (DOE ARPA-E) under the MEITNER funding program. As part of the MEITNER award, the Argonne National Laboratory (ANL) contributed expertise through two specialized teams: The “Design Team” and the “Resource Team”. The Design Team was dedicated to validate feasibility of the Holos-Quad core and to optimize its core design through neutronics analyses. The Resource Team was dedicated to feasibility verification via high-fidelity codes of Holos-Quad thermal-hydraulic, heat transfer, shielding, and structural aspects. This report summarizes the activities conducted by ANL Design Team. A rigorous design approach based on multi-criteria optimization and code-to-code comparison involving stochastic and high-fidelity deterministic solutions was developed and employed at several evolutionary stages of the Holos-Quad design. Several generations of the Holos-Quad core were designed within this project before converging to the current full-scale Gen 2+ design that is detailed in this report. Figure EA-1 illustrates a cross-sectional view of Gen 2+ Holos-Quad core configuration, and Figure EA-2 provides a simplified perspective view of 1-of-4 SPMs. The Holos-Quad uses four thermal-hydraulically independent SPMs locked into stationary positions during power operation, surrounded by BeO reflector and structural component fully comprised within the dimensional constraints represented by traditional ISO containers. One of the benefits of this approach is to enable transportation of each SPM promptly after irradiation in shielded containers. The core is designed to operate for approximately 8 full-power years while the reactivity controls and power conversion system enable load-following operations. The reactivity controls are represented by independent, diversified, and redundant reactivity control systems based on control drums and redundant sets of shutdown rods. The high-fidelity simulation tools were used to assess detailed power and flux distributions of the three-dimensional full-core or quarter-core of the Gen 2+ configuration. Single-physics and multi-physics simulations of the neutronics code PROTEUS and the thermal-hydraulic code System Analysis Module (SAM) were performed to analyze the Holos design configurations with detailed high-fidelity solutions. The design work performed confirmed feasibility of the Holos-Quad concept, provided realistic design description for detailed design of the operational system, and identified several core design improvements to be further considered for future reactor development activities.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Deep Learning Approaches to Surrogates for Solving the Diffusion Equation for Mechanistic Real-World Simulations

In many mechanistic medical, biological, physical, and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs), especially for diffusion, fluid flow and mechanical relaxation, can make simulations impractically slow. Biological models of tissues and organs often require the simultaneous calculation of the spatial variation of concentration of dozens of diffusing chemical species. One clinical example where rapid calculation of a diffusing field is of use is the estimation of oxygen gradients in the retina, based on imaging of the retinal vasculature, to guide surgical interventions in diabetic retinopathy. Furthermore, the ability to predict blood perfusion and oxygenation may one day guide clinical interventions in diverse settings, i.e., from stent placement in treating heart disease to BOLD fMRI interpretation in evaluating cognitive function (Xie et al., 2019; Lee et al., 2020). Since the quasi-steady-state solutions required for fast-diffusing chemical species like oxygen are particularly computationally costly, we consider the use of a neural network to provide an approximate solution to the steady-state diffusion equation. Machine learning surrogates, neural networks trained to provide approximate solutions to such complicated numerical problems, can often provide speed-ups of several orders of magnitude compared to direct calculation. Surrogates of PDEs could enable use of larger and more detailed models than are possible with direct calculation and can make including such simulations in real-time or near-real time workflows practical. Creating a surrogate requires running the direct calculation tens of thousands of times to generate training data and then training the neural network, both of which are computationally expensive. Often the practical applications of such models require thousands to millions of replica simulations, for example for parameter identification and uncertainty quantification, each of which gains speed from surrogate use and rapidly recovers the up-front costs of surrogate generation. We use a Convolutional Neural Network to approximate the stationary solution to the diffusion equation in the case of two equal-diameter, circular, constant-value sources located at random positions in a two-dimensional square domain with absorbing boundary conditions. Such a configuration caricatures the chemical concentration field of a fast-diffusing species like oxygen in a tissue with two parallel blood vessels in a cross section perpendicular to the two blood vessels. To improve convergence during training, we apply a training approach that uses roll-back to reject stochastic changes to the network that increase the loss function. The trained neural network approximation is about 1000 times faster than the direct calculation for individual replicas. Because different applications will have different criteria for acceptable approximation accuracy, we discuss a variety of loss functions and accuracy estimators that can help select the best network for a particular application. We briefly discuss some of the issues we encountered with overfitting, mismapping of the field values and the geometrical conditions that lead to large absolute and relative errors in the approximate solution.

60 APPLIED LIFE SCIENCES↗