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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Enhancements on the Convex Programming Based Powered Descent Guidance Algorithm for Mars Landing

In this paper, we present enhancements on the powered descent guidance algorithm developed for Mars pinpoint landing. The guidance algorithm solves the powered descent minimum fuel trajectory optimization problem via a direct numerical method. Our main contribution is to formulate the trajectory optimization problem, which has nonconvex control constraints, as a finite dimensional convex optimization problem, specifically as a finite dimensional second order cone programming (SOCP) problem. SOCP is a subclass of convex programming, and there are efficient SOCP solvers with deterministic convergence properties. Hence, the resulting guidance algorithm can potentially be implemented onboard a spacecraft for real-time applications. Particularly, this paper discusses the algorithmic improvements obtained by: (i) Using an efficient approach to choose the optimal time-of-flight; (ii) Using a computationally inexpensive way to detect the feasibility/ infeasibility of the problem due to the thrust-to-weight constraint; (iii) Incorporating the rotation rate of the planet into the problem formulation; (iv) Developing additional constraints on the position and velocity to guarantee no-subsurface flight between the time samples of the temporal discretization; (v) Developing a fuel-limited targeting algorithm; (vi) Initial result on developing an onboard table lookup method to obtain almost fuel optimal solutions in real-time.

Guidance↗
NASA NTRS2013

Net Shape Spin Formed Cryogenic Aluminum Lithium Cryogenic Tank Domes for Lower Cost Higher Performance Launch Vehicles

With the goal of lower cost (simplified manufacturing and lower part count) and higher performance (higher strength to weight alloys) the NASA Technical Maturation Program in 2006 funded a proposal to investigate spin forming of space launch vehicle cryogenic tank domes. The project funding continued under the NASA Exploration Technology Development Program through completion in FY12. The first phase of the project involved spin forming of eight, 1 meter diameter "path finder" domes. Half of these were processed using a concave spin form process (MT Aerospace, Augsburg Germany) and the other half using a convex process (Spincraft, Boston MA). The convex process has been used to produce the Ares Common Bulkhead and the concave process has been used to produce dome caps for the Space Shuttle light weight external tank and domes for the NASDA H2. Aluminum Lithium material was chosen because of its higher strength to weight ratio than the Aluminum 2219 baseline. Aluminum lithium, in order to obtain the desired temper (T8), requires a cold stretch after the solution heat treatment and quench. This requirement favors the concave spin form process which was selected for scale up. This paper describes the results of processing four, 5.5 meter diameter (upper stage scale) net shaped spin formed Aluminum Lithium domes. In order to allow scalability beyond the limits of foundry and rolling mills (about 12 foot width) the circular blank contained one friction stir weld (heavy lifter scales require a flat blank containing two welds). Mechanical properties data (tensile, fracture toughness, stress corrosion, and simulated service testing) for the parent metal and weld will also be discussed.

Curreri, Peter A.↗
NASA NTRS1987

Collision detection for spacecraft proximity operations

Collision Detection for Spacecraft Proximity Operations This thesis describes the development of a new collision detection algorithm to be used when two spacecraft are operating in the same vicinity. The two spacecraft are modelled as unions of convex polyhedra, where the polyhedron resulting from the union may be either convex or nonconvex. The relative motion of the two spacecraft is assumed to be such that one vehicle is moving with constant linear and angular velocity with respect to the other. The algorithm determines if a collision is possible and, if so, predicts the time when the collision will take place. The theoretical basis for the new collision detection algorithm is the C-function formulation of the configuration space approach recently introduced by researchers in robotics. Three different types of C-functions are defined that model the contacts between the vertices, edges, and faces of the polyhedra representing the two spacecraft. These C-functions are used to formulate three "collision" conditions. The first of these conditions limits the points representing potential collisions to the zeros of the C-functions. The new algorithm is fundamentally a search for the smallest zero of any C-function that satisfies the second and third collision conditions. The C-functions are shown to be transcendental functions of time for the assumed trajectory of the moving spacecraft. The zeros of these functions cannot be expressed in dosed form. Therefore, numerical search procedures are developed to find aLl of the zeros of a C-function in specified bounded intervals of time. These bounded intervals of time are found by examining the second and third collision conditions. The capabilities of the new algorithm are demonstrated for several example cases. These include examples of collisions determined by zeros of each of the three different types of C-functions. In addition to predicting the time of first contact of the polyhedra, the algorithm identifies the features of the two polyhedra that are touching at this time. The new collision detection algorithm is the first such algorithm that is capable of solving the collision detection problem exactly for the case where the moving object has constant linear and angular velocities. This is a significant improvement on previous collision detection algorithms described in the literature. In particular, the ability to handle constant angular velocity represents a more realistic type of rotational motion than those which have been used in other algorithms.

Robin M Vaughan↗
NASA NTRS2017

Imaging Systems for Size Measurements of Debrisat Fragments

The overall objective of the DebriSat project is to provide data to update existing standard spacecraft breakup models. One of the key sets of parameters used in these models is the physical dimensions of the fragments (i.e., length, average-cross sectional area, and volume). For the DebriSat project, only fragments with at least one dimension greater than 2 mm are collected and processed. Additionally, a significant portion of the fragments recovered from the impact test are needle-like and/or flat plate-like fragments where their heights are almost negligible in comparison to their other dimensions. As a result, two fragment size categories were defined: 2D objects and 3D objects. While measurement systems are commercially available, factors such as measurement rates, system adaptability, size characterization limitations and equipment costs presented significant challenges to the project and a decision was made to develop our own size characterization systems. The size characterization systems consist of two automated image systems, one referred to as the 3D imaging system and the other as the 2D imaging system. Which imaging system to use depends on the classification of the fragment being measured. Both imaging systems utilize point-and-shoot cameras for object image acquisition and create representative point clouds of the fragments. The 3D imaging system utilizes a space-carving algorithm to generate a 3D point cloud, while the 2D imaging system utilizes an edge detection algorithm to generate a 2D point cloud. From the point clouds, the three largest orthogonal dimensions are determined using a convex hull algorithm. For 3D objects, in addition to the three largest orthogonal dimensions, the volume is computed via an alpha-shape algorithm applied to the point clouds. The average cross-sectional area is also computed for 3D objects. Both imaging systems have automated size measurements (image acquisition and image processing) driven by the need to quickly and accurately measure tens of thousands of debris fragments. Moreover, the automated size measurement reduces potential fragment damage/mishandling and ability for accuracy and repeatability. As the fragment characterization progressed, it became evident that the imaging systems had to be revised. For example, an additional view was added to the 2D imaging system to capture the height of the 2D object. This paper presents the DebriSat project's imaging systems and calculation techniques in detail; from design and development to maturation. The experiences and challenges are also shared.

Shiotani, B.↗
DOE OSTI2024

Adaptive Power Flow Approximations With Second-Order Sensitivity Insights

The power flow equations are fundamental to power system planning, analysis, and control. However, the inherent non-linearity and non-convexity of these equations present formidable obstacles in problem-solving processes. To mitigate these challenges, recent research has proposed adaptive power flow linearizations that aim to achieve accuracy over wide operating ranges. The accuracy of these approximations inherently depends on the curvature of the power flow equations within these ranges, which necessitates considering second-order sensitivities. In this paper, we leverage second-order sensitivities to both analyze and improve power flow approximations. We evaluate the curvature across broad operational ranges and subsequently utilize this information to inform the computation of various sample-based power flow approximation techniques. Additionally, we leverage second-order sensitivities to guide the development of rational approximations that yield linear constraints in optimization problems. In conclusion, this approach is extended to enhance accuracy beyond the limitations of linear functions across varied operational scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Creating ground truth for nanocrystal morphology: a fully automated pipeline for unbiased transmission electron microscopy analysis

Control over colloidal nanocrystal morphology (size, size distribution, and shape) is important for tailoring the functionality of individual nanocrystals and their ensemble behavior. Despite this, traditional methods to quantify nanocrystal morphology are laborious. New developments in automated morphology classification will accelerate these analyses but the assessment of machine learning models is limited by human accuracy for ground truth, causing even unsupervised machine learning models to have inherent bias. Herein, we introduce synthetic image rendering to solve the ground truth problem of nanocrystal morphology classification. By simulating 2D images of nanocrystal shapes via a function of high-dimensional parameter space, we trained a convolutional neural network to link unique morphologies to their simulated parameters, defining nanocrystal morphology quantitatively rather than qualitatively. An automated pipeline then processes, quantitatively defines, and classifies nanocrystal morphology from experimental transmission electron microscopy (TEM) images. Using improved computer vision techniques, 42,650 nanocrystals were identified, assessed, and labeled with quantitative parameters, offering a 600-fold improvement in efficiency over best-practice manual measurements. Further, a classification algorithm was trained with a prediction accuracy of 99.5%, which can successfully analyze a range of concave, convex, and irregular nanocrystal shapes. The resulting pipeline was applied to differentiating two syntheses of nominally cuboidal CsPbBr 3 nanocrystals and uniquely classifying binary nickel sulfide nanocrystal phase based on morphology. This pipeline provides a simple, efficient, and unbiased method to quantify nanocrystal morphology and represents a practical route to construct large datasets with an absolute ground truth for training unbiased morphology-based machine learning algorithms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1994

Methodologies and Tools for Tuning Parallel Programs: Facts and Fantasies

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. The recent introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CRI's Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance tool technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g. AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

Yan, Jerry C.↗
NASA NTRS1994

Performance Evaluation Methodologies and Tools for Massively Parallel Programs

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. The recent introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CSI'S Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance tool technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g., AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2)) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

Yan, Jerry C.↗
NASA NTRS1996

Methodologies and Tools for Tuning Parallel Programs: 80% Art, 20% Science, and 10% Luck

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessors. However, without effective means to monitor (and analyze) program execution, tuning the performance of parallel programs becomes exponentially difficult as program complexity and machine size increase. In the past few years, the ubiquitous introduction of performance tuning tools from various supercomputer vendors (Intel's ParAide, TMC's PRISM, CRI's Apprentice, and Convex's CXtrace) seems to indicate the maturity of performance instrumentation/monitor/tuning technologies and vendors'/customers' recognition of their importance. However, a few important questions remain: What kind of performance bottlenecks can these tools detect (or correct)? How time consuming is the performance tuning process? What are some important technical issues that remain to be tackled in this area? This workshop reviews the fundamental concepts involved in analyzing and improving the performance of parallel and heterogeneous message-passing programs. Several alternative strategies will be contrasted, and for each we will describe how currently available tuning tools (e.g. AIMS, ParAide, PRISM, Apprentice, CXtrace, ATExpert, Pablo, IPS-2) can be used to facilitate the process. We will characterize the effectiveness of the tools and methodologies based on actual user experiences at NASA Ames Research Center. Finally, we will discuss their limitations and outline recent approaches taken by vendors and the research community to address them.

Yan, Jerry C.↗
NASA NTRS2002

Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows

Accurate numerical simulations of complex multiscale compressible viscous flows, especially high speed turbulence combustion and acoustics, demand high order schemes with adaptive numerical dissipation controls. Standard high resolution shock-capturing methods are too dissipative to capture the small scales and/or long-time wave propagations without extreme grid refinements and small time steps. An integrated approach for the control of numerical dissipation in high order schemes for the compressible Euler and Navier-Stokes equations has been developed and verified by the authors and collaborators. These schemes are suitable for the problems in question. Basically, the scheme consists of sixth-order or higher non-dissipative spatial difference operators as the base scheme. To control the amount of numerical dissipation, multiresolution wavelets are used as sensors to adaptively limit the amount and to aid the selection and/or blending of the appropriate types of numerical dissipation to be used. Magnetohydrodynamics (MHD) waves play a key role in drag reduction in highly maneuverable high speed combat aircraft, in space weather forecasting, and in the understanding of the dynamics of the evolution of our solar system and the main sequence stars. Although there exist a few well-studied second and third-order high-resolution shock-capturing schemes for the MHD in the literature, these schemes are too diffusive and not practical for turbulence/combustion MHD flows. On the other hand, extension of higher than third-order high-resolution schemes to the MHD system of equations is not straightforward. Unlike the hydrodynamic equations, the inviscid MHD system is non-strictly hyperbolic with non-convex fluxes. The wave structures and shock types are different from their hydrodynamic counterparts. Many of the non-traditional hydrodynamic shocks are not fully understood. Consequently, reliable and highly accurate numerical schemes for multiscale MHD equations pose a great challenge to algorithm development. In addition, controlling the numerical error of the divergence free condition of the magnetic fields for high order methods has been a stumbling block. Lower order methods are not practical for the astrophysical problems in question. We propose to extend our hydrodynamics schemes to the MHD equations with several desired properties over commonly used MHD schemes.

Sjoegreen, Bjoern↗
NASA NTRSDate not supplied

A Physics-Based Work-Energy Formulation for Real-Time Trajectory Guidance of A Lunar Lander

Throughout the years, many researchers have calculated and optimized trajectory solutions for lunar landing systems by employing sophisticated mathematical methods, that include: Hamilton’s Principle of Variation, Pontryagin’s maximum principle, and well known convex-optimization techniques among others. Many of these approaches typically require expensive computational resources to achieve convergence in the solution. In an effort to reduce complexity and the computational load required to obtain real-time guidance commands, a simple physics-based work-energy approach has been formulated. This approach is based on the dissipation of the mechanical energy of the vehicle to its final desired energy state required to achieve a safe landing. The rocket engine(s) employed during landing (among other maneuvers) dissipates mechanical energy by both doing work against the velocity vector of the vehicle (thus defining the trajectory path), and by jettisoning mass. Therefore, by solving the energy dissipation problem at every step of the maneuver, a much simpler formulation that naturally and quickly attains convergence is obtained. This formulation is not limited to approach, landing, and divert maneuvers, but in principle it can be employed during de-orbiting, braking burn, ascent, as well as orbit insertion.

Guidance↗
NASA NTRSDate not supplied

A Physics-Based Work-Energy Formulation for Real-Time Trajectory Guidance of a Lunar Lander

Throughout the years, many researchers have calculated and optimized trajectory solutions for lunar landing systems by employing sophisticated mathematical methods, that include: Hamilton’s Principle of Variation, Pontryagin’s maximum principle, and well known convex-optimization techniques among others. Many of these approaches typically require expensive computational resources to achieve convergence in the solution. In an effort to reduce complexity and the computational load required to obtain real-time guidance commands, a simple physics-based work-energy approach has been formulated. This approach is based on the dissipation of the mechanical energy of the vehicle to its final desired energy state required to achieve a safe landing. The rocket engine(s) employed during landing (among other maneuvers) dissipates mechanical energy by both doing work against the velocity vector of the vehicle (thus defining the trajectory path), and by jettisoning mass. Therefore, by solving the energy dissipation problem at every step of the maneuver, a much simpler formulation that naturally and quickly attains convergence is obtained. This formulation is not limited to approach, landing, and divert maneuvers, but in principle it can be employed during de-orbiting, braking burn, ascent, as well as orbit insertion.

Guidance↗
DOE OSTI2024

Photosynthetic responses of switchgrass to light and CO 2 under different precipitation treatments

Switchgrass ( Panicum virgatum L .) is a prominent bioenergy crop with robust resilience to environmental stresses. However, our knowledge regarding how precipitation changes affect switchgrass photosynthesis and its responses to light and CO 2 remains limited. To address this knowledge gap, we conducted a field precipitation experiment with five different treatments, including −50%, −33%, 0%, +33%, and +50% of ambient precipitation. To determine the responses of leaf photosynthesis to CO 2 concentration and light, we measured leaf net photosynthesis of switchgrass under different CO 2 concentrations and light levels in 2020 and 2021 for each of the five precipitation treatments. We first evaluated four light and CO 2 response models (i.e., rectangular hyperbola model, nonrectangular hyperbola model, exponential model, and the modified rectangular hyperbola model) using the measurements in the ambient precipitation treatment. Based on the fitting criteria, we selected the nonrectangular hyperbola model as the optimal model and applied it to all precipitation treatments, and estimated model parameters. Overall, the model fit field measurements well for the light and CO 2 response curves. Precipitation change did not influence the maximum net photosynthetic rate ( P max ) but influenced other model parameters including quantum yield ( α ), convexity ( θ ), dark respiration ( Rd ), light compensation point ( LCP ), and saturated light point ( LSP ). Specifically, the mean P max of five precipitation treatments was 17.6 μmol CO 2 m −2 s −1 , and the ambient treatment tended to have a higher P max . The +33% treatment had the highest α , and the ambient treatment had lower θ and LCP , higher Rd , and relatively lower LSP . Furthermore, precipitation significantly influenced all model parameters of CO 2 response. The ambient treatment had the highest P max , largest α , and lowest θ , R d , and CO 2 compensation point LCP . Overall, this study improved our understanding of how switchgrass leaf photosynthesis responds to diverse environmental factors, providing valuable insights for accurately modeling switchgrass ecophysiology and productivity.

09 BIOMASS FUELS↗
NASA NTRS2011

Chance-Constrained Guidance With Non-Convex Constraints

Missions to small bodies, such as comets or asteroids, require autonomous guidance for descent to these small bodies. Such guidance is made challenging by uncertainty in the position and velocity of the spacecraft, as well as the uncertainty in the gravitational field around the small body. In addition, the requirement to avoid collision with the asteroid represents a non-convex constraint that means finding the optimal guidance trajectory, in general, is intractable. In this innovation, a new approach is proposed for chance-constrained optimal guidance with non-convex constraints. Chance-constrained guidance takes into account uncertainty so that the probability of collision is below a specified threshold. In this approach, a new bounding method has been developed to obtain a set of decomposed chance constraints that is a sufficient condition of the original chance constraint. The decomposition of the chance constraint enables its efficient evaluation, as well as the application of the branch and bound method. Branch and bound enables non-convex problems to be solved efficiently to global optimality. Considering the problem of finite-horizon robust optimal control of dynamic systems under Gaussian-distributed stochastic uncertainty, with state and control constraints, a discrete-time, continuous-state linear dynamics model is assumed. Gaussian-distributed stochastic uncertainty is a more natural model for exogenous disturbances such as wind gusts and turbulence than the previously studied set-bounded models. However, with stochastic uncertainty, it is often impossible to guarantee that state constraints are satisfied, because there is typically a non-zero probability of having a disturbance that is large enough to push the state out of the feasible region. An effective framework to address robustness with stochastic uncertainty is optimization with chance constraints. These require that the probability of violating the state constraints (i.e., the probability of failure) is below a user-specified bound known as the risk bound. An example problem is to drive a car to a destination as fast as possible while limiting the probability of an accident to 10(exp -7). This framework allows users to trade conservatism against performance by choosing the risk bound. The more risk the user accepts, the better performance they can expect.

FROM↗
NASA NTRS2002

Design, Fabrication, Optical Testing, and Performance of Diamond Machined Aspheric Mirrors for Ground-Based Near-IR Astronomy

Challenges in fabrication and testing have historically limited the choice of surfaces available for the design of reflective optical instruments. Spherical and conic mirrors are common, but, for future science instruments, more degrees of freedom are necessary to meet challenging performance and packaging requirements. These instruments will be composed of unusual aspheres located far off-axis with large spherical departure, and some designs will require asymmetric surface profiles. In particular, single-surface astigmatism correction in spectrographs necessitates a toroidal surface, which lacks an axis of rotational symmetry. We describe the design, fabrication, optical testing, and performance of three rotationally symmetric, off-axis, aspheric mirrors and one toroidal, off-axis, biconic camera mirror on aluminum substrates for the Infrared Multi-Object Spectrograph (IRMOS) instrument. IRMOS is a facility instrument for the Kitt Peak National Observatory's Mayall Telescope (3.8 m) and an engineering prototype for a possible design of the Next Generation Space Telescope/Multi-Object Spectrograph. The symmetric mirrors range in aperture from 94x86 mm to 286x269 mm and in f-number from 0.9 to 2.4. They are various off-axis, convex and concave, prolate and oblate ellipsoids. The concave biconic mirror has a 94x76 mm aperture, Rx=377 mm, kx=0.0778, Ry=407 mm, and ky=0.1265 and is decentered. by -2 mm in x and 227 mm in y. The mirrors have an aspect ratio of approximately 4:1. The surface error fabrication tolerances are less than 63.3 nm RMS figure error and less than 10 nm RMS microroughness. The mirrors are attached to the instrument bench via a semi-kinematic, integral flexure mount. We describe mirror design, diamond machining, the results of figure testing using computer-generated holograms, and imaging and scattered light modeling and performance.

Ohl, Raymond G.↗
DOE OSTI2025

A machine learning approach to quantify degradation of nuclear fuels and the effects of fission products

Nuclear fuel performance is critically dependent on understanding the evolution of fuel properties under operational conditions, a complex challenge driven by chemical changes and substantial radiation damage during fission. Traditionally, property evolution has been determined via empirical data collected following irradiation. However, these empirical correlations are limited in their applicability beyond the specific conditions in which they were obtained. This study explores a novel approach to address this challenge by applying materials informatics to develop a machine learning random forest (ML-RF) model that captures the effects of fission products on fuel compounds. The model predicts formation enthalpy (ΔH f ) by leveraging extensive quantum materials property data and correlating it with material descriptors such as composition, atomic and site features, and crystal lattice properties. This ML-RF model enables rapid interpolation across the compositional and structural spaces covered by the training data, thus supporting high-throughput screening and energetic ranking of candidate phases. The model demonstrates the ability to predict ΔH f with a mean absolute error (MAE) of approximately 0.1 to 0.2 eV/atom across a wide range of compounds, including key nuclear fuel systems (U-O, U-N, U-C, U-Si, and U-Mo). For example, it was used to assess shifts in stoichiometry for UO 2 (O/M) and UN (N/M) fuels, revealing their distinct tendencies in chemical potential variation and enabling preliminary convex hull analyses. Furthermore, the model provides insights into how individual fission products affect fuel properties. Results indicate that larger fission products (e.g., Nd, Pu, Ce) have a more pronounced impact on UO 2 , while lighter ones (e.g., Zr) strongly influence UN. Here, the model developed in this work can be used to support the Accelerated Fuel Qualification approach by facilitating preliminary evaluations prior to extensive materials modeling and experimentation. To this end, the trained model has been made available to the fuel community to support ongoing fuel development efforts.

Accelerated fuel qualification↗
DOE OSTI2022

First-principles analysis of the Al-rich corner of Al-Li-Cu phase diagram

The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configurations for different lattices in the whole Al-Li-Cu system were determined by density functional theory simulations to find the stable phases in the convex hull. They were fitted with a cluster expansion to calculate the free energy of the configurations with different compositions as a function of temperature in the Al-rich region (Al content > 40 at.%) by means of Monte Carlo simulations. It was found that the ground state phases in the Al-rich part of the Al-Li-Cu phase diagram were α-Al, θ' (Al 2 Cu), $δ$' (Al 3 Li), $δ$ (AlLi) and T 1 (Al 6 Cu 4 Li 3 ), while θ'' (Al 3 Cu), T 1' (Al 2 CuLi) and Al 3 Cu 2 Li were found on the lowest mixing enthalpy surfaces of their lattices and were metastable. α-Al, $δ$ and T 1 are stable phases in the whole temperature range while $δ$' becomes metastable at very low temperature and θ (Al 2 Cu) replaces θ' as the stable phase at approximately 550 K due to the vibrational entropic contribution. In addition, the phase diagram in the Al-rich region was built and it was shown in isothermal sections from 100 to 900 K. They were in good agreement with the limited experimental data in the literature and provided new information regarding the stability, solubility and stoichiometry of the different phases. This information is important to understand the precipitation mechanisms during high temperature aging.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Adjoint Formulation for an Embedded-Boundary Cartesian Method

Many problems in aerodynamic design can be characterized by smooth and convex objective functions. This motivates the use of gradient-based algorithms, particularly for problems with a large number of design variables, to efficiently determine optimal shapes and configurations that maximize aerodynamic performance. Accurate and efficient computation of the gradient, however, remains a challenging task. In optimization problems where the number of design variables dominates the number of objectives and flow- dependent constraints, the cost of gradient computations can be significantly reduced by the use of the adjoint method. The problem of aerodynamic optimization using the adjoint method has been analyzed and validated for both structured and unstructured grids. The method has been applied to design problems governed by the potential, Euler, and Navier-Stokes equations and can be subdivided into the continuous and discrete formulations. Giles and Pierce provide a detailed review of both approaches. Most implementations rely on grid-perturbation or mapping procedures during the gradient computation that explicitly couple changes in the surface shape to the volume grid. The solution of the adjoint equation is usually accomplished using the same scheme that solves the governing flow equations. Examples of such code reuse include multistage Runge-Kutta schemes coupled with multigrid, approximate-factorization, line-implicit Gauss-Seidel, and also preconditioned GMRES. The development of the adjoint method for aerodynamic optimization problems on Cartesian grids has been limited. In contrast to implementations on structured and unstructured grids, Cartesian grid methods decouple the surface discretization from the volume grid. This feature makes Cartesian methods well suited for the automated analysis of complex geometry problems, and consequently a promising approach to aerodynamic optimization. Melvin e t al. developed an adjoint formulation for the TRANAIR code, which is based on the full-potential equation with viscous corrections. More recently, Dadone and Grossman presented an adjoint formulation for the Euler equations. In both approaches, a boundary condition is introduced to approximate the effects of the evolving surface shape that results in accurate gradient computation.

Nemec, Marian↗