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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Designing Optimal Perovskite Structure for High Ionic Conduction

Solid-oxide fuel/electrolyzer cells are limited by a dearth of electrolyte materials with low ohmic loss and an incomplete understanding of the structure-property relationships that would enable the rational design of better materials. In this work, using epitaxial thin-film growth, synchrotron radiation, impedance spectroscopy, and density-functional theory, the impact of structural parameters (i.e., unit-cell volume and octahedral rotations) on ionic conductivity is delineated in La 0.9 Sr 0.1 Ga 0.95 Mg 0.05 O 3-σ . As compared to the zero-strain state, compressive strain reduces the unit-cell volume while maintaining large octahedral rotations, resulting in a strong reduction of ionic conductivity, while tensile strain increases the unit-cell volume while quenching octahedral rotations, resulting in a negligible effect on the ionic conductivity. Calculations reveal that larger unit-cell volumes and octahedral rotations decrease migration barriers and create low-energy migration pathways, respectively. The desired combination of large unit-cell volume and octahedral rotations is normally contraindicated, but through the creation of superlattice structures both expanded unit-cell volume and large octahedral rotations are experimentally realized, which result in an enhancement of the ionic conductivity. All told, the potential to tune ionic conductivity with structure alone by a factor of ≈ 2.5 at around 600 degrees C is observed, which sheds new light on the rational design of ion-conducting perovskite electrolytes.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Comparison of Response Surface and Kriging Models for Multidisciplinary Design Optimization

In this paper, we compare and contrast the use of second-order response surface models and kriging models for approximating non-random, deterministic computer analyses. After reviewing the response surface method for constructing polynomial approximations, kriging is presented as an alternative approximation method for the design and analysis of computer experiments. Both methods are applied to the multidisciplinary design of an aerospike nozzle which consists of a computational fluid dynamics model and a finite-element model. Error analysis of the response surface and kriging models is performed along with a graphical comparison of the approximations, and four optimization problems m formulated and solved using both sets of approximation models. The second-order response surface models and kriging models-using a constant underlying global model and a Gaussian correlation function-yield comparable results.

Simpson, Timothy W.↗
NASA NTRS1986

Optimal design of structures with multiple design variables per group and multiple loading conditions on the personal computer

A finite element based programming system for minimum weight design of a truss-type structure subjected to displacement, stress, and lower and upper bounds on design variables is presented. The programming system consists of a number of independent processors, each performing a specific task. These processors, however, are interfaced through a well-organized data base, thus making the tasks of modifying, updating, or expanding the programming system much easier in a friendly environment provided by many inexpensive personal computers. The proposed software can be viewed as an important step in achieving a 'dummy' finite element for optimization. The programming system has been implemented on both large and small computers (such as VAX, CYBER, IBM-PC, and APPLE) although the focus is on the latter. Examples are presented to demonstrate the capabilities of the code. The present programming system can be used stand-alone or as part of the multilevel decomposition procedure to obtain optimum design for very large scale structural systems. Furthermore, other related research areas such as developing optimization algorithms (or in the larger level: a structural synthesis program) for future trends in using parallel computers may also benefit from this study.

Nguyen, D. T.↗
DOE OSTI2024

Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units

Atomic structure prediction and associated property calculations are the bedrock of chemical physics. Since high-fidelity ab initio modeling techniques for computing the structure and properties can be prohibitively expensive, this motivates the development of machine-learning (ML) models that make these predictions more efficiently. Training graph neural networks over large atomistic databases introduces unique computational challenges such as the need to process millions of small graphs with variable size and support communication patterns that are distinct from learning over large graphs such as social networks. We demonstrate a novel hardware-software co-design approach to scale up the training of atomistic graph neural networks (GNN) for structure and property prediction. First, to eliminate redundant computation and memory associated with alternative padding techniques and to improve throughput via minimizing communication, we formulate the effective coalescing of the batches of variable-size atomistic graphs as the bin packing problem and introduce a hardware-agnostic algorithm to pack these batches. In addition, we propose hardware-specific optimizations including a planner and vectorization for the gather-scatter operations targeted for Graphcore’s Intelligence Processing Unit (IPU), as well as model-specific optimizations such as merged communication collectives and optimized softplus. Putting these all together, we demonstrate the effectiveness of the proposed co-design approach by providing an implementation of a well-established atomistic GNN on the Graphcore IPUs. We evaluate the training performance on multiple atomistic graph databases with varying degrees of graph counts, sizes and sparsity. Here, we demonstrate that such a co-design approach can reduce the training time of atomistic GNNs and can improve the performance by up to 1.5× compared to the baseline implementation of the model on the IPUs. Additionally, we compare our IPU implementation with a Nvidia GPU-based implementation and show that our atomistic GNN implementation on the IPUs can run 1.8× faster on average compared to the execution time on the GPUs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Sizing of complex structure by the integration of several different optimal design algorithms

Practical design of large-scale structures can be accomplished with the aid of the digital computer by bringing together in one computer program algorithms of nonlinear mathematical programing and optimality criteria with weight-strength and other so-called engineering methods. Applications of this approach to aviation structures are discussed with a detailed description of how the total problem of structural sizing can be broken down into subproblems for best utilization of each algorithm and for efficient organization of the program into iterative loops. Typical results are examined for a number of examples.

Sobieszczanski, J.↗
DOE OSTI2023

AI-Based Optimal Design and Controls Can Greatly Reduce Carbon Emissions and Enhance Resilience in Residential Communities in Cold Climates

Net-zero energy residential communities are crucial for achieving decarbonization goals, but the high-penetration photovoltaic (PV) in those communities is posing challenges to the distribution grid. Traditional design and operation of net-zero communities rely on rule-of-thumb methods and may not work in complex scenarios. Artificial intelligence and machine learning methods can optimally size PV for net-zero energy, identify user preferences and usage patterns, and fully unlock the potential of distributed energy resources to address distribution grid issues.

artificial intelligence↗
NASA NTRS1972

NAMER: A FORTRAN 4 program for use in optimizing designs of two-level factorial experiments given partial prior information

Under certain specified conditions, the Bayes procedure for designing two-level fractional factorial experiments is that which maximizes the expected utility over all possible choices of parameter-estimator matchings, physical-design variable matchings, defining parameter groups, and sequences of telescoping groups. NAMER computes the utility of all possible matchings of physical variables to design variables and parameters to estimators for a specified choice of defining parameter group or groups. The matching yielding the maximum expected utility is indicated, and detailed information is provided about the optimal matchings and utilities. Complete documentation is given; and an example illustrates input, output, and usage.

Sidik, S. M.↗
NASA NTRS1982

A comprehensive method for preliminary design optimization of axial gas turbine stages

A method is presented that performs a rapid, reasonably accurate preliminary pitchline optimization of axial gas turbine annular flowpath geometry, as well as an initial estimate of blade profile shapes, given only a minimum of thermodynamic cycle requirements. No geometric parameters need be specified. The following preliminary design data are determined: (1) the optimum flowpath geometry, within mechanical stress limits; (2) initial estimates of cascade blade shapes; (3) predictions of expected turbine performance. The method uses an inverse calculation technique whereby blade profiles are generated by designing channels to yield a specified velocity distribution on the two walls. Velocity distributions are then used to calculate the cascade loss parameters. Calculated blade shapes are used primarily to determine whether the assumed velocity loadings are physically realistic. Model verification is accomplished by comparison of predicted turbine geometry and performance with four existing single stage turbines.

Jenkins, R. M.↗
DOE OSTI2026

Design optimization of MAPS-based detectors using a data-driven fast simulation approach

A parametric simulation tool for pixel sensors is presented. A realistic pixel response is simulated purely based on measurement input, without requiring detailed knowledge of the underlying manufacturing process. As such, it provides an efficient alternative to the use of Technology Computer-Aided Design simulations, which typically depend on proprietary process information. Due to its parametric approach, the package is fast and thus particularly useful for larger detector systems and high hit rate environments. This work presents measurements, simulation and its validation for the MALTA2 sensor. It is a small collection electrode monolithic active pixel sensor produced in the Tower 180 nm complementary metal-oxide-semiconductor imaging process. Modifications to the sensor’s periphery, mainly in the hit merger, are studied in order to optimize the performance for tracking and calorimetry. This optimization is of special interest as part of the MALTA3 sensor redesign in the 65 nm Tower Partners Semiconductor Co. process.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2007

Compatibility Condition in Theory of Solid Mechanics (Elasticity, Structures, and Design Optimization)

The strain formulation in elasticity and the compatibility condition in structural mechanics have neither been understood nor have they been utilized. This shortcoming prevented the formulation of a direct method to calculate stress. We have researched and understood the compatibility condition for linear problems in elasticity and in finite element analysis. This has lead to the completion of the method of force with stress (or stress resultant) as the primary unknown. The method in elasticity is referred to as the completed Beltrami-Michell formulation (CBMF), and it is the integrated force method (IFM) in structures. The dual integrated force method (IFMD) with displacement as the primary unknown has been formulated. IFM and IFMD produce identical responses. The variational derivation of the CBMF yielded the new boundary compatibility conditions. The CBMF can be used to solve stress, displacement, and mixed boundary value problems. The IFM in structures produced high-fidelity response even with a modest finite element model. The IFM has influenced structural design considerably. A fully utilized design method for strength and stiffness limitation has been developed. The singularity condition in optimization has been identified. The CBMF and IFM tensorial approaches are robust formulations because of simultaneous emphasis on the equilibrium equation and the compatibility condition.

Patnaik, Surya N.↗
NASA NTRS1990

Exponential approximations in optimal design

One-point and two-point exponential functions have been developed and proved to be very effective approximations of structural response. The exponential has been compared to the linear, reciprocal and quadratic fit methods. Four test problems in structural analysis have been selected. The use of such approximations is attractive in structural optimization to reduce the numbers of exact analyses which involve computationally expensive finite element analysis.

Belegundu, A. D.↗
DOE OSTI2019

Magnet Design Optimization for Future Hadron Colliders

Fermilab in collaboration with other members of the US Magnet Development Program (MDP) is working on the development of accelerator magnets for future hadron colliders. A 4-layer, 15-T dipole with 60 mm aperture based on Nb3Sn Low Temperature Superconductor (LTS) has been fabricated and tested. It is an important milestone of demonstrating readiness of the LTS magnet technology for the next generation of hadron colliders. At the same time, design studies aimed at boosting the magnet performance even further with the help of High Temperature Superconductors (HTS) are under way. This paper introduces a novel magnet technology - Conductor On Molded Barrel (COMB) optimized for the HTS materials and discusses possible steps towards its demonstration.

43 PARTICLE ACCELERATORS↗
NASA NTRS1985

Design optimization for a space based, reusable orbit transfer vehicle

Future NASA and DOD missions will benefit from high performance, reusable orbit transfer vehicles. With the advent of a space station, advanced engine technology, and various new vehicle concepts, reusable orbit transfer vehicles that provide significant economic benefits and mission capability improvements will be realized. Engine and vehicle design criteria previously have lacked definition with regard to issues such as space basing and servicing, man-rating and reliability, performance, mission flexibility, and life cycle cost for a reusable vehicle. The design study described here has resulted in the definition of a reusable orbit transfer vehicle concept and subsequent recommendations for the design criteria of an advanced LO2/LH2 engine. These design criteria include number of engines per vehicle, nozzle design, etc. The major characteristics of the vehicle preliminary design include low lift to drag aerocapture capability, a main propulsion system failure criteria of fail operational/fail safe, and either two main engines with a high performance attitude control system for back-up or three main engines with which to meet this failure criteria. In addition, a maintenance approach has been established for the advanced vehicle concept.

Redd, L.↗
NASA NTRS1996

Design Optimization for a Maglev System Employing Flux Eliminating Coils

Flux eliminating coils have received no little attention over the past thirty years as an alternative for realizing lift in a MAGLEV system. When the magnets on board the vehicle are displaced from the equilibrium or null flux point of these coils, they induce current in those coils which act to restore the coil to its null flux or centerline position. The question being addressed in this paper is that of how to choose the best coil for a given system. What appears at first glance to be an innocent question is in fact one that is actually quite involved, encompassing both the global economics and physics of the system. The real key in analyzing that question is to derive an optimization index or functional which represents the cost of the system subject to constraints, the primary constraint being that the vehicle lift itself at a certain threshold speed. Outlined in this paper is one scenario for realizing a total system design which uses sequential quadratic programming techniques.

Davey, Kent R.↗
NASA NTRS2000

Evaluation of Methods for Multidisciplinary Design Optimization (MDO)

A new MDO method, BLISS, and two different variants of the method, BLISS/RS and BLISS/S, have been implemented using iSIGHT's scripting language and evaluated in this report on multidisciplinary problems. All of these methods are based on decomposing a modular system optimization system into several subtasks optimization, that may be executed concurrently, and the system optimization that coordinates the subtasks optimization. The BLISS method and its variants are well suited for exploiting the concurrent processing capabilities in a multiprocessor machine. Several steps, including the local sensitivity analysis, local optimization, response surfaces construction and updates are all ideally suited for concurrent processing. Needless to mention, such algorithms that can effectively exploit the concurrent processing capabilities of the compute servers will be a key requirement for solving large-scale industrial design problems, such as the automotive vehicle problem detailed in Section 3.4.

Kodiyalam, Srinivas↗
NASA NTRSDate not supplied

A Review Towards the Design Optimization of High-Performance Additively Manufactured Rotating Detonation Rocket Engine Injectors

Rotating Detonation Rocket Engines (RDRE) have been marketed primarily for their higher specific impulse potential over constant pressure (CP) liquid rocket engines. However, several other performance advantages exist such as heat transfer advantages for gas expander cycle, increased completeness of combustion at low chamber L*, compact engine design, reduced coolant channel pressure drop potential, and improved injector C* performance. NASA has paved the way for liquid engine system performance enhancement since the Apollo program and continues to do so with metal additive manufacturing (AM), new advanced materials, and advanced propulsion concepts. A team of propulsion development engineers at NASA are in the process of developing high-performance 7K lbf class RDRE hardware for their potential use in lander, upper stage, and even launch vehicle applications. Clear advantages have been demonstrated with AM including program cost and schedule reductions of up to 50%. It is well known that injector performance is integrally linked to the global performance of a combustion device. This is especially the case for RDREs since detonation stability is heavily dependent on the mixedness of propellants. A major goal of this work is to identify what has been done in the open experimental literature and what injectors design features are conducive to high performance in the detonation cycle. This paper reviews the available literature and reports the primary gaps in the knowledge base needed by the pressure gain combustion (PGC) community. Major conclusions are documented, and suggestions given towards the design of high-performance liquid RDRE injectors. In addition, the integration of metal AM into the design of liquid RDRE injector schemes is included.

rotating detonation rocket engine↗