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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 1,531 records · Page 85

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Gauge constrained algorithm of variational discrete action theory at N = 3 for the multiorbital Hubbard model

The recently developed variational discrete action theory (VDAT) provides a systematic variational approach to the ground state of the quantum many-body problem, where the quality of the solution is controlled by an integer N, and increasing N monotonically approaches the exact solution. VDAT can be exactly evaluated in the d = ∞ multiorbital Hubbard model using the self-consistent canonical discrete action theory (SCDA), which requires a self-consistency condition for the integer time Green's functions. Previous work demonstrates that N = 3 accurately captures multiorbital Mott/Hund physics at a cost similar to the Gutzwiller approximation. Here we employ a gauge constraint to automatically satisfy the self-consistency condition of the SCDA at N = 3, yielding an even more efficient algorithm with enhanced numerical stability. We derive closed form expressions of the gauge constrained algorithm for the multiorbital Hubbard model with general density-density interactions, allowing VDAT at N = 3 to be straightforwardly applied to the seven-orbital Hubbard model. We present results and a performance analysis using N = 2 and N = 3 for the SU⁡(2⁢N orb ) Hubbard model in d = ∞ with N orb = 2–8, and compare to numerically exact dynamical mean-field theory solutions where available. Finally, the developments in this work will greatly facilitate the application of VDAT at N = 3 to strongly correlated electron materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1972

Analysis of space tug operating techniques (study 2.4). Volume 1: Executive summary

The costs of tug refurbishment were studied, using existing cost estimating relationships, to establish the cost of maintaining the reusable third stage of the space transportation system. Refurbishment operations sheets which describe the actual tasks that are necessary to keep the equipment functioning properly were used along with refurbishment operations sheets which contain all of the pertinent descriptive information for each of the major vehicle areas. Tug refurbishment costs per mission are tabulated.

Source record↗

DOE OSTI2020

Semi-supervised Machine Learning Enables the Robust Detection of Multireference Character at Low Cost

Multireference (MR) diagnostics are common tools for identifying strongly correlated electronic structure that makes single-reference (SR) methods (e.g., density functional theory or DFT) insufficient for accurate property prediction. However, MR diagnostics typically require computationally demanding correlated wave function theory (WFT) calculations, and diagnostics often disagree or fail to predict MR effects on properties. To overcome these challenges, we introduce a semi-supervised machine learning (ML) approach with virtual adversarial training (VAT) of an MR classifier using 15 WFT and DFT MR diagnostics as inputs. In semi-supervised learning, only the most extreme SR or MR points are labeled, and the remaining point labels are learned. The resulting VAT model outperforms the alternatives, as quantified by the distinct property distributions of SR- and MR-classified molecules. Additionally, to reduce the cost of generating inputs to the VAT model, we leverage the VAT model’s robustness to noisy inputs by replacing WFT MR diagnostics with regression predictions in an MR decision engine workflow that preserves excellent performance. We demonstrate the transferability of our approach to larger molecules and those with distinct chemical composition from the training set. This MR decision engine demonstrates promise as a low-cost, high-accuracy approach to the automatic detection of strong correlation for predictive high-throughput screening.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Re-engineering Nascom's network management architecture

The development of Nascom systems for ground communications began in 1958 with Project Vanguard. The low-speed systems (rates less than 9.6 Kbs) were developed following existing standards; but, there were no comparable standards for high-speed systems. As a result, these systems were developed using custom protocols and custom hardware. Technology has made enormous strides since the ground support systems were implemented. Standards for computer equipment, software, and high-speed communications exist and the performance of current workstations exceeds that of the mainframes used in the development of the ground systems. Nascom is in the process of upgrading its ground support systems and providing additional services. The Message Switching System (MSS), Communications Address Processor (CAP), and Multiplexer/Demultiplexer (MDM) Automated Control System (MACS) are all examples of Nascom systems developed using standards such as, X-windows, Motif, and Simple Network Management Protocol (SNMP). Also, the Earth Observing System (EOS) Communications (Ecom) project is stressing standards as an integral part of its network. The move towards standards has produced a reduction in development, maintenance, and interoperability costs, while providing operational quality improvement. The Facility and Resource Manager (FARM) project has been established to integrate the Nascom networks and systems into a common network management architecture. The maximization of standards and implementation of computer automation in the architecture will lead to continued cost reductions and increased operational efficiency. The first step has been to derive overall Nascom requirements and identify the functionality common to all the current management systems. The identification of these common functions will enable the reuse of processes in the management architecture and promote increased use of automation throughout the Nascom network. The MSS, CAP, MACS, and Ecom projects have indicated the potential value of commercial-off-the-shelf (COTS) and standards through reduced cost and high quality. The FARM will allow the application of the lessons learned from these projects to all future Nascom systems.

Drake, Brian C.↗

NASA NTRS2007

High Temperature Materials for Chemical Propulsion Applications

Radiation or passively cooled thrust chambers are used for a variety of chemical propulsion functions including apogee insertion, reaction control for launch vehicles, and primary propulsion for planetary spacecraft. The performance of these thrust chambers is limited by the operating temperature of available materials. Improved oxidation resistance and increased operating temperatures can be achieved with the use of thermal barrier coatings such as zirconium oxide (ZrO2) and hafnium oxide (HfO2). However, previous attempts to include these materials showed cracking and spalling of the oxide layer due to poor bonding. Current research at NASA's Marshall Space Flight Center (MSFC) has generated unique, high temperature material options for in-space thruster designs that are capable of up to 2500 C operating temperatures. The research is focused on fabrication technologies to form low cost Iridium,qF_.henium (Ir/Re) components with a ceramic hot wall created as an integral, functionally graded material (FGM). The goal of this effort is to further de?celop proven technologies for embedding a protective ceramic coating within the Ir/Re liner to form a robust functional gradient material. Current work includes the fabrication and testing of subscale samples to evaluate tensile, creep, thermal cyclic/oxidation, and thermophysical material properties. Larger test articles have also being fabricated and hot-fire tested to demonstrate the materials in prototype thrusters at 1O0 lbf thrust levels.

Elam, Sandra↗

DOE OSTI2026

Jordan–Wigner Transformation for the Description of Strong Correlation in Fermionic Systems

Seniority is a useful way of organizing Hilbert space for strongly correlated systems. The exact zero-seniority wave function, doubly occupied configuration interaction (DOCI), provides accurate results (given the right orbitals) for many strongly correlated electronic systems but has a combinatorial computational cost. In many cases, pair coupled cluster doubles provide a polynomial-cost approximation that closely reproduces the energies of DOCI, but it breaks down in some cases and, as shown herein, it does not provide particularly good density matrices. In this article, we demonstrate that by using the Jordan–Wigner transformation to turn the seniority zero problem back into a Fermionic one, we can provide mean-field variational results of DOCI quality for the Hubbard model and a few small molecular dissociation examples, with polynomial cost, both for the energies and for density matrices, all while being protected from collapse. This success is rooted in the proof we provide, showing that the Hartree–Fock wave function on the Jordan–Wigner-transformed Hamiltonian transforms back to variational coupled cluster doubles in the seniority zero representation, but restricted to have determinant rather than permanent amplitude coefficients, without compromising its overall accuracy.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Split representation of adaptively compressed polarizability operator

The polarizability operator plays a central role in density functional perturbation theory and other perturbative treatment of first principle electronic structure theories. The cost of computing the polarizability operator generally scales as O(Ne4) where Ne is the number of electrons in the system. The recently developed adaptively compressed polarizability operator (ACP) formulation [L. Lin, Z. Xu and L. Ying, Multiscale Model. Simul. 2017] reduces such complexity to O(Ne 3 ) in the context of phonon calculations with a large basis set for the first time, and demonstrates its effectiveness for model problems. In this paper, we improve the performance of the ACP formulation by splitting the polarizability into a near singular component that is statically compressed, and a smooth component that is adaptively compressed. The new split representation maintains the O(Ne 3 ) complexity, and accelerates nearly all components of the ACP formulation, including Chebyshev interpolation of energy levels, iterative solution of Sternheimer equations, and convergence of the Dyson equations. For simulation of real materials, we discuss how to incorporate nonlocal pseudopotentials and finite temperature effects. In this work, we demonstrate the effectiveness of our method using one-dimensional model problem in insulating and metallic regimes, as well as its accuracy for real molecules and solids.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Graph Contractions for Calculating Correlation Functions in Lattice QCD

Computing correlation functions for many-particle systems in Lattice QCD is vital to extract nuclear physics observables like the energy spectrum of hadrons such as protons. However, this type of calculation has long been considered to be very challenging and computing-resource intensive because of the complex nature of a hadron composed of quarks with many degrees of freedom. In particular, a correlation function can be calculated through a sum of all possible pairs of quark contractions, each of which is a batched tensor contraction, dictated by Wick's theorem. Because the number of terms of this sum can be very large for any hadronic system of interest, fast evaluation of the sum faces several challenges: an extremely large number of contractions, a huge memory footprint at runtime, and the speed of tensor contractions. In this paper, we present a Lattice QCD analysis software suite, Redstar, which addresses these challenges by utilizing novel algorithmic and software engineering methods targeting modern computing platforms such as many-core CPUs and GPUs. In particular, Redstar represents every term in the sum of a correlation function by a graph, applies efficient graph algorithms to reduce the number of contractions to lower the cost of computations, and minimizes the total memory footprint. Moreover, Redstar carries out the contractions on either CPUs or GPUs utilizing an internal and highly efficient Hadron contraction library. Specifically, we illustrate some important algorithmic optimizations of Redstar, show various key design features of Hadron library, and present the speedup values due to the optimizations along with performance figures for calculating six correlations functions on four computing platforms.

Chen, Jie↗

DOE OSTI2023

Graph Contractions for Calculating Correlation Functions in Lattice QCD

Chen, Jie↗

NASA NTRS1985

Fracture strength of GaAs solar cells as a function of manufacturing process steps

Fracture of single crystal GaAs substrate during the solar cell processing is an important factor in solar cell yield and cost. Fracture mechanics technique was utilized to evaluate cell cracking characteristics and changes in fracture strength of GaAs solar cells in a present state-of-the-art of manufacturing process for GaAs solar cells from wafer to complete cell of a typical production line. Considerable change in the fracture strength of GaAs solar cells as a function of cell processing was found. The strength data were described by Weibull statistical analysis and can be interpreted with the change of flaw distribution of each of the manufacturing process steps.

Chen, C. P.↗

DOE OSTI2025

Data Structure Alchemy

In an increasingly more data-driven world, the project set out to uncover the first principles of data-structure design, chart the immense design space they form, and build automation that can synthesize an optimal structure, or even a whole storage engine, for any given workload, hardware platform, and cost target. Data structures are at the center of every computational system and are directly responsible for its performance. Two core technical thrusts were defined: 1) Mapping design spaces for key data-centric abstractions (filters, hash functions, storage-engine layouts, neural-network topologies, blockchain protocols, image layouts, etc.). 2) Developing search & synthesis algorithms, initially analytical cost models, later neural-guided bi-level optimisers that navigate sextillions of candidate designs in seconds and materialise the best one as ready‐to-run code. This report distills the key insights, accomplishments, and impact.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Supporting Development of Satellite's Guidance Navigation and Control Software: A Product Line Approach

The NASA Goddard Space Flight Center Flight Software Branch (FSB) is developing a Guidance, Navigation, and Control (GNC) Flight Software (FSW) product line. The demand for increasingly more complex flight software in less time while maintaining the same level of quality has motivated us to look for better FSW development strategies. The GNC FSW product line has been planned to address the core GNC FSW functionality very similar on many recent low/near Earth missions in the last ten years. Unfortunately these missions have not accomplished significant drops in development cost since a systematic approach towards reuse has not been adopted. In addition, new demands are continually being placed upon the FSW which means the FSB must become more adept at providing GNC FSW functionality's core so it can accommodate additional requirements. These domain features together with engineering concepts are influencing the specification, description and evaluation of FSW product line. Domain engineering is the foundation for emerging product line software development approaches. A product line is 'A family of products designed to take advantage of their common aspects and predicted variabilities'. In our product line approach, domain engineering includes the engineering activities needed to produce reusable artifacts for a domain. Application engineering refers to developing an application in the domain starting from reusable artifacts. The focus of this paper is regarding the software process, lessons learned and on how the GNC FSW product line manages variability. Existing domain engineering approaches do not enforce any specific notation for domain analysis or commonality and variability analysis. Usually, natural language text is the preferred tool. The advantage is the flexibility and adapt ability of natural language. However, one has to be ready to accept also its well-known drawbacks, such as ambiguity, inconsistency, and contradictions. While most domain analysis approaches are functionally oriented, the idea of applying the object-oriented approach in domain analysis is not new. Some authors propose to use UML as the notation underlying domain analysis. Our work is based on the same idea of merging UML and domain analysis. Further, we propose a few extensions to UML in order to express variability, and we define precisely their semantics so that a tool can support them. The extensions are designed to be implemented on the API of a popular industrial CASE tool, with obvious advantages in cost and availability of tool support. The paper outlines the product line processes and identifies where variability must be addressed. Then it describes the product line products with respect to how they accommodate variability. The Celestial Body subdomain is used as a working example. Our results to date are summarized and plans for the future are described.

McComas, David↗

NASA NTRS2006

A Comparison of Functional Models for Use in the Function-Failure Design Method

When failure analysis and prevention, guided by historical design knowledge, are coupled with product design at its conception, shorter design cycles are possible. By decreasing the design time of a product in this manner, design costs are reduced and the product will better suit the customer s needs. Prior work indicates that similar failure modes occur with products (or components) with similar functionality. To capitalize on this finding, a knowledge base of historical failure information linked to functionality is assembled for use by designers. One possible use for this knowledge base is within the Elemental Function-Failure Design Method (EFDM). This design methodology and failure analysis tool begins at conceptual design and keeps the designer cognizant of failures that are likely to occur based on the product s functionality. The EFDM offers potential improvement over current failure analysis methods, such as FMEA, FMECA, and Fault Tree Analysis, because it can be implemented hand in hand with other conceptual design steps and carried throughout a product s design cycle. These other failure analysis methods can only truly be effective after a physical design has been completed. The EFDM however is only as good as the knowledge base that it draws from, and therefore it is of utmost importance to develop a knowledge base that will be suitable for use across a wide spectrum of products. One fundamental question that arises in using the EFDM is: At what level of detail should functional descriptions of components be encoded? This paper explores two approaches to populating a knowledge base with actual failure occurrence information from Bell 206 helicopters. Functional models expressed at various levels of detail are investigated to determine the necessary detail for an applicable knowledge base that can be used by designers in both new designs as well as redesigns. High level and more detailed functional descriptions are derived for each failed component based on NTSB accident reports. To best record this data, standardized functional and failure mode vocabularies are used. Two separate function-failure knowledge bases are then created aid compared. Results indicate that encoding failure data using more detailed functional models allows for a more robust knowledge base. Interestingly however, when applying the EFDM, high level descriptions continue to produce useful results when using the knowledge base generated from the detailed functional models.

Stock, Michael E.↗

DOE OSTI2025

Optimized V1G and V2G Electric Vehicle Fleet Management and Grid Transaction at Marine Corps Air Station Miramar in San Diego, CA

The overall technical goal of the project was to demonstrate an all-electric bi-directional non-tactical fleet at Marine Corps Air Station (MCAS) Miramar that was integrated and controlled with other distributed energy resources (DERs) (i.e., PV, stationary battery, and building loads) to provide resilience to critical electric loads in the event of grid outages, to minimize charging costs, and to provide economic energy resources to electricity markets. In this project, the specific, technical objectives were: 1. Demonstrate that bi-directional electric vehicles can provide critical complementary services to fixed storage batteries in microgrid applications while performing function as non-tactical vehicles. 2. Demonstrate participation of bi-directional (V2G) and unidirectional (V1G) PEVs for demand management and minimization of charging costs. 3. Demonstrate integration of multiple DERs for grid service participation. US Marine Corps Air Station (MCAS) Miramar in San Diego was the site of this electric vehicle-to-microgrid-utility grid test and demonstration project. Existing microgrid assets in this study included (1) a public works building; (2) a 30-kW rooftop photovoltaic (PV) system and (3) a separate 250 kW carport PV system. In this project, six bi-directional V2G vans were located at the MCAS Miramar’s showcase building-scale microgrid to develop and test technical capabilities that V2G can provide in microgrid applications (e.g., cost reduction and resiliency). These resources provided aggregated demand management and simulated participation in current retail DR programs. The vehicles used in this demonstration were selected because they provided functionality that MCAS Miramar needed, 15 passenger transport and facilities work cargo carrying capacity, and bi-directional charging capability that the research project required. All vehicles in this study were manufactured and distributed by VIA Motors, Inc. There were six vehicles total and each was VIA’s VTRUX eREV V2G model, a modified General Motors Chevrolet 2500 2WD van. Three of the vans were configured as passenger vans and the other three were configured as cargo vans. Each van had an on-board bi-direcrtional inverter/charger, Bel Power Solutions model 350INVCHGT150-120-240-8G nominally rated at +/-15 kW. The VIA van’s charging connector follows the J1772 charging protocol. The bi-directional EVSEs demonstrated in this study were manufactured by Coritech, Inc. Each VGI-80-AC charging station enabled enhanced V2G charging capability to a Clipper Creek CS-100 charging module. The enhanced capabilities included ethernet communication following the SEP2.0 protocol with a distributed energy resource function set and an operator screen displaying real-time SOC, voltage, and current. The VGI-80-AC charging stations are classified as level 2 with a maximum current output of 80 A or effectively 19 kW. The VIA van’s onboard charger limited the charging and discharging power to 15 kW in each direction. A control computer was installed in the EWOC and connected to an existing monitor. The V2G control communication network was a completely stand-alone closed system that did not have any connection to any other networks on the base. A cybersecure remote communication connection was created with a cellular modem, firewall hardware, and a virtual private network configuration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2006

Proven Innovations and New Initiatives in Ground System Development: Reducing Costs in the Ground System

The state-of-the-practice for engineering and development of Ground Systems has evolved significantly over the past half decade. Missions that challenge ground system developers with significantly reduced budgets in spite of requirements for greater and previously unimagined functionality are now the norm. Making the right trades early in the mission lifecycle is one of the key factors to minimizing ground system costs. The Mission Operations Strategic Leadership Team at the Jet Propulsion Laboratory has spent the last year collecting and working through successes and failures in ground systems for application to future missions.

costs↗

DOE OSTI2024

Advanced HVAC Humidity Control for Hot-Humid Climates

During this project we develop and validate a cost-effective, integrated control solution to improve humidity control and comfort for energy-efficient homes in hot-humid climates. This study focuses on developing a strategy that is effective, field tested, and practical for builders to install with minimal disruption to standard practices. A successful solution would simplify the transition to high-performance humidity control and be the basis for design and installation guidance. By relying on the central system as a starting point, the strategy employed minimizes system complexity and cost for builders, while improving comfort and operating cost for homeowners. The solution strategy was to coordinate the cooling, dehumidification, and ventilation functions of central, ducted HVAC systems to better control indoor humidity, improve occupant thermal comfort, and capture energy savings. The primary strategic goals were to: (1) optimize dehumidification by the central air-conditioning system, particularly during part-load conditions, using conventional equipment with modified control settings and lower system airflows; (2) maximize ventilation during heating/cooling on-cycles, to “bank” and condition outdoor ventilation air, and minimize ventilation during off-cycles; (3) quantify the effectiveness and energy impact of the dehumidification and ventilation strategies, while identifying a metric that would be useful to evaluate latent effectiveness. For the test houses in our study, located in Richmond Hill, Georgia; Houston, Texas; and Monroe, Louisiana we observed: (1) the indoor humidity did not exceed 60% RH during the monitored cooling season for 99% of the time in Richmond Hill, 96% of the time in Houston, and 90% of the time in Monroe; (2) the dehumidification strategy improved the steady-state latent capacity of the HVAC system at design conditions by 16% to 49% at the Houston test house and by 28% to 71% at the Monroe test house, depending on which mode the system was operating in; and (3) the good results at the test houses were primarily due to the amount of time the air-conditioning system operated in ramping or dehumidification modes, or both, particularly during the early cooling season. This study demonstrates that air conditioners or heat pumps with a single-stage compressor can provide good humidity control without the need for a two-stage or variable-stage compressor system. The airflow and control settings for ramping and dehumidification modes are critical to control indoor humidity in hot-humid climates, particularly during part-load and shoulder season conditions. The dehumidification strategy used in this study did not jeopardize the mechanical reliability of the cooling equipment. The strategies used in this study are applicable across various equipment brands, models, and efficiency levels, and also applicable to a broad range of homes in hot-humid climates. Results will vary by specific equipment, location, and house configuration and construction.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

FECM/NETL CO 2 Transport Cost Model (2022): Description and User’s Manual

The FECM/NETL CO 2 Transport Cost Model (CO 2 _T_COM) is an Excel spreadsheet model that calculates the cost of transporting CO 2 from the beginning to the end of a pipeline. This document provides two main functions. First, the document describes the equations and algorithms that are used by the model to calculate technical quantities (such as the minimum inner pipe diameter needed to transport a user-specified CO 2 mass flow rate a specified distance) and engineering-economic quantities (such as capital costs, operating costs and cash flows). Second, the document is a user’s manual for the model that describes the procedures the user must follow to run the model. The document also describes input variables and output variables (i.e., results) for the model.

42 ENGINEERING↗

DOE OSTI2023

FECM/NETL CO 2 Transport Cost Model (2023): Description and User’s Manual

29 ENERGY PLANNING, POLICY, AND ECONOMY↗