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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Development of a thermal storage module using modified anhydrous sodium hydroxide

The laboratory scale testing of a modified anhydrous NaOH latent heat storage concept for small solar thermal power systems such as total energy systems utilizing organic Rankine systems is discussed. A diagnostic test on the thermal energy storage module and an investigation of alternative heat transfer fluids and heat exchange concepts are specifically addressed. A previously developed computer simulation model is modified to predict the performance of the module in a solar total energy system environment. In addition, the computer model is expanded to investigate parametrically the incorporation of a second heat exchange inside the module which will vaporize and superheat the Rankine cycle power fluid.

Rice, R. E.↗
NASA NTRS2001

Models of Protocellular Structure, Function and Evolution

In the absence of any record of protocells, the most direct way to test our understanding, of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard Medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids in which a small number of functional molecules are selected from a large, random population of candidates. The selected molecules are next vastly multiplied using the polymerase chain reaction.

New, Michael H.↗
NASA NTRS2001

Models of Protocellular Structure, Function and Evolution

In the absence of any record of protocells, the most direct way to test our understanding of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard Medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids in which a small number of functional molecules are selected from a large, random population of candidates. The selected molecules are next vastly multiplied using the polymerase chain reaction. A mutagenic approach, in which the sequences of selected molecules are randomly altered, can yield further improvements in performance or alterations of specificities. Unfortunately, the catalytic potential of nucleic acids is rather limited. Proteins are more catalytically capable but cannot be directly amplified. In the new technique, this problem is circumvented by covalently linking each protein of the initial, diverse, pool to the RNA sequence that codes for it. Then, selection is performed on the proteins, but the nucleic acids are replicated. Additional information is contained in the original extended abstract.

New, Michael H.↗
NASA NTRS2015

Ocean-Atmosphere Coupled Model Simulations of Precipitation in the Central Andes

The meridional extent and complex orography of the South American continent contributes to a wide diversity of climate regimes ranging from hyper-arid deserts to tropical rainforests to sub-polar highland regions. In addition, South American meteorology and climate are also made further complicated by ENSO, a powerful coupled ocean-atmosphere phenomenon. Modelling studies in this region have typically resorted to either atmospheric mesoscale or atmosphere-ocean coupled global climate models. The latter offers full physics and high spatial resolution, but it is computationally inefficient typically lack an interactive ocean, whereas the former offers high computational efficiency and ocean-atmosphere coupling, but it lacks adequate spatial and temporal resolution to adequate resolve the complex orography and explicitly simulate precipitation. Explicit simulation of precipitation is vital in the Central Andes where rainfall rates are light (0.5-5 mm hr-1), there is strong seasonality, and most precipitation is associated with weak mesoscale-organized convection. Recent increases in both computational power and model development have led to the advent of coupled ocean-atmosphere mesoscale models for both weather and climate study applications. These modelling systems, while computationally expensive, include two-way ocean-atmosphere coupling, high resolution, and explicit simulation of precipitation. In this study, we use the Coupled Ocean-Atmosphere-Wave-Sediment Transport (COAWST), a fully-coupled mesoscale atmosphere-ocean modeling system. Previous work has shown COAWST to reasonably simulate the entire 2003-2004 wet season (Dec-Feb) as validated against both satellite and model analysis data when ECMWF interim analysis data were used for boundary conditions on a 27-9-km grid configuration (Outer grid extent: 60.4S to 17.7N and 118.6W to 17.4W).

Regional Climate Model↗
NASA NTRS1985

Identification and properties of molecular systems of potential use in solar-pumped lasers

The concepts and computational tools of theortical chemistry are used to investigate molecular properties needed in direct solar-pumped lasers. Compounds of the type RR'CXY, with R and R' organic groups, and X and Y halide atoms were identified as likely candidates because of their highly enhanced absorption coefficients over compounds with a single halide atom. The use of a combination of vibrational excitation followed by electronic excitation to enhance quantum yields at certain wavelengths is indicated. A self-consistent eikonal approximation to state-to-state transitions was tested for CH3I and is useful for other problems involving electronic energy and charge transfer. An approach to calculate potential energy surfaces and transition dipoles was developed which is based on the generation of eigenstates of the nonrelativisitc Hamiltonian followed by incorporation of the spin-orbit coupling by configuration interaction.

Micha, D. A.↗
NASA NTRS1992

Myths and realities: Defining re-engineering for a large organization

This paper describes the background and results of three studies concerning software reverse engineering, re-engineering, and reuse (R3) hosted by the Internal Revenue Service in 1991 and 1992. The situation at the Internal Revenue--aging, piecemeal computer systems and outdated technology maintained by a large staff--is familiar to many institutions, especially among management information systems. The IRS is distinctive for the sheer magnitude and diversity of its problems; the country's tax records are processed using assembly language and COBOL and spread across tape and network DBMS files. How do we proceed with replacing legacy systems? The three software re-engineering studies looked at methods, CASE tool support, and performed a prototype project using re-engineering methods and tools. During the course of these projects, we discovered critical issues broader than the mechanical definitions of methods and tool technology.

Yin, Sandra↗
DOE OSTI2024

Ice Phase Classification Made Easy with Score-Based Denoising

Accurate identification of ice phases is essential for understanding various physicochemical phenomena. However, such classification for structures simulated with molecular dynamics is complicated by the complex symmetries of ice polymorphs and thermal fluctuations. For this purpose, both traditional order parameters and data-driven machine learning approaches have been employed, but they often rely on expert intuition, specific geometric information, or large training data sets. In this work, we present an unsupervised phase classification framework that combines a score-based denoiser model with a subsequent model-free classification method to accurately identify ice phases. Further, the denoiser model is trained on perturbed synthetic data of ideal reference structures, eliminating the need for large data sets and labeling efforts. The classification step utilizes the smooth overlap of atomic position (SOAP) descriptors as the atomic fingerprint, ensuring Euclidean symmetries and transferability to various structural systems. Our approach achieves a remarkable 100% accuracy in distinguishing ice phases of test trajectories using only seven ideal reference structures of ice phases as model inputs. This demonstrates the generalizability of the score-based denoiser model in facilitating phase identification for complex molecular systems. The proposed classification strategy can be broadly applied to investigate structural evolution and phase identification for a wide range of materials, offering new insights into the fundamental understanding of water and other complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically generate long and deep quantum circuits; gate-efficient universal operator pools generally break symmetries; and gate-efficient, fully symmetry-adapted operator pools may not be universal. In this work, we analyze such symmetry dilemmas both theoretically and numerically. On the theory side, we prove that the popular, gate-efficient operator pool consisting of singlet spin-adapted singles and perfect-pairing doubles is not universal when spatial symmetry is enforced. To demonstrate the strengths and weaknesses of the three types of pools, we perform numerical simulations using an adaptive algorithm paired with operator pools that are (i) fully symmetry-adapted and universal, (ii) fully symmetry-adapted and non-universal, and (iii) breaking a single symmetry and universal. Our numerical simulations encompass three physically relevant scenarios in which the target state is (i) the global ground state, (ii) the ground state crossed by a state differing in multiple symmetry properties, and (iii) the ground state crossed by a state differing in a single symmetry property. Our results show when symmetry-breaking but universal pools can be used safely, when enforcing at least one distinguishing symmetry suffices, and when a particular symmetry must be rigorously preserved to avoid variational collapse. Together, the formal and numerical analyses provide a practical guide for designing and benchmarking symmetry-adapted operator pools that balance universality, resource requirements, and robust state targeting in quantum simulations for chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Shuttle avionics and the goal language including the impact of error detection and redundancy management

The relationship is examined between the space shuttle onboard avionics and the ground test computer language GOAL when used in the onboard computers. The study is aimed at providing system analysis support to the feasibility analysis of a GOAL to HAL translator, where HAL is the language used to program the onboard computers for flight. The subject is dealt with in three aspects. First, the system configuration at checkout, the general checkout and launch sequences, and the inventory of subsystems are described. Secondly, the hierarchic organization of onboard software and different ways of introducing GOAL-derived software onboard are described. Also the flow of commands and test data during checkout is diagrammed. Finally, possible impact of error detection and redundancy management on the GOAL language is discussed.

Flanders, J. H.↗
NASA NTRS1976

Apollo experience report: Real-time display system

The real time display system used in the Apollo Program is described; the systematic organization of the system, which resulted from hardware/software trade-offs and the establishment of system criteria, is emphasized. Each basic requirement of the real time display system was met by a separate subsystem. The computer input multiplexer subsystem, the plotting display subsystem, the digital display subsystem, and the digital television subsystem are described. Also described are the automated display design and the generation of precision photographic reference slides required for the three display subsystems.

Sullivan, C. J.↗
NASA NTRS1977

A technique for real-time data preprocessing

A processing system is presented that implements simultaneously the efficiency of the special-purpose processor and the total applicability of the general-purpose computer - characteristics commonly thought of as being mutually exclusive. The solution adopted is that of specializing the machine by programming the hardware structure, rather than by adding software systems to it. Data are organized in circulating pages which form a plurality of local dynamic memories for each process. Programs are made up of modules, each describing a transient special-purpose machine. Applications to real-time processing of radar signals are referred to.

Schaffner, M. R.↗
NASA NTRS1983

DOCU-TEXT: A tool before the data dictionary

DOCU-TEXT, a proprietary software package that aids in the production of documentation for a data processing organization and can be installed and operated only on IBM computers is discussed. In organizing information that ultimately will reside in a data dictionary, DOCU-TEXT proved to be a useful documentation tool in extracting information from existing production jobs, procedure libraries, system catalogs, control data sets and related files. DOCU-TEXT reads these files to derive data that is useful at the system level. The output of DOCU-TEXT is a series of user selectable reports. These reports can reflect the interactions within a single job stream, a complete system, or all the systems in an installation. Any single report, or group of reports, can be generated in an independent documentation pass.

Carter, B.↗
NASA NTRS1991

Technology development: A partnership that makes sense

Discussed here is an approach to how academic institutions, government entities, and industrial organizations can work effectively to utilize their relative strengths to more effectively meet common goals. The discussion relates to the University of Houston-Clear Lake (UHCL) Research Institute for Computing and Information Systems (RICIS) Program to bring about this type of triad in the Clear Lake area. It is concluded that the interfaces among these groups must remain independent to maintain a healthy counterbalance to their respective entities. However, each entity can and must understand the entire mechanism to exploit each interface to the fullest. Only through such cooperation can the continued technical success of the NASA/Clear Lake area be assured.

Rone, Kyle Y.↗
NASA NTRS1997

Verification and Validation in a Rapid Software Development Process

The high cost of software production is driving development organizations to adopt more automated design and analysis methods such as rapid prototyping, computer-aided software engineering (CASE) tools, and high-level code generators. Even developers of safety-critical software system have adopted many of these new methods while striving to achieve high levels Of quality and reliability. While these new methods may enhance productivity and quality in many cases, we examine some of the risks involved in the use of new methods in safety-critical contexts. We examine a case study involving the use of a CASE tool that automatically generates code from high-level system designs. We show that while high-level testing on the system structure is highly desirable, significant risks exist in the automatically generated code and in re-validating releases of the generated code after subsequent design changes. We identify these risks and suggest process improvements that retain the advantages of rapid, automated development methods within the quality and reliability contexts of safety-critical projects.

Callahan, John R.↗
NASA NTRS2003

Facilitating the Portability of User Applications in Grid Environments

Grid computing promises the ability to connect geographically and organizationally distributed resources to increase effective computational power, resource utilization, and resource accessibility. For grid computing to be successful, however, users must be able to easily execute the same application on different resources. Different resources, however, may be administered by different organizations with different software installed, different file system structures, and different default environment settings. Even within the same organization, the set of software installed on a given resource is in constant flux with additions, upgrades, and removals. Users cannot be expected to understand all of the idiosyncrasies of each resource they may wish to execute jobs on, thus must be provided with automated assistance. This paper describes a new OGSI-compliant grid service (the Portability Manager) that has been implemented as part of NASA's Information Power Grid (IPG) project to automatically estab!ish the execution environment for user applications.

Kolano, Paul Z.↗
NASA NTRS1996

Understanding and Improving High-Performance I/O Subsystems

This research program has been conducted in the framework of the NASA Earth and Space Science (ESS) evaluations led by Dr. Thomas Sterling. In addition to the many important research findings for NASA and the prestigious publications, the program has helped orienting the doctoral research program of two students towards parallel input/output in high-performance computing. Further, the experimental results in the case of the MasPar were very useful and helpful to MasPar with which the P.I. has had many interactions with the technical management. The contributions of this program are drawn from three experimental studies conducted on different high-performance computing testbeds/platforms, and therefore presented in 3 different segments as follows: 1. Evaluating the parallel input/output subsystem of a NASA high-performance computing testbeds, namely the MasPar MP- 1 and MP-2; 2. Characterizing the physical input/output request patterns for NASA ESS applications, which used the Beowulf platform; and 3. Dynamic scheduling techniques for hiding I/O latency in parallel applications such as sparse matrix computations. This study also has been conducted on the Intel Paragon and has also provided an experimental evaluation for the Parallel File System (PFS) and parallel input/output on the Paragon. This report is organized as follows. The summary of findings discusses the results of each of the aforementioned 3 studies. Three appendices, each containing a key scholarly research paper that details the work in one of the studies are included.

El-Ghazawi, Tarek A.↗
NASA NTRS1999

Interacting Surfaces and Atmospheres in the Outer Solar System

The work reported here is an extension of ongoing efforts in data reduction and modeling of the spectral reflectances of several objects in the outer Solar System. In general terms, this requires an evaluation of the data obtained at the telescope, conversion of those data into geometric albedo units, and the combination of individual spectrum segments into a complete spectrum over the wavelength interval of interest. The modeling effort to produce a synthetic spectrum of a given Solar System object requires the complex refractive indices (the optical constants) of candidate surface materials, including ices, minerals, and organic solids. Those indices are primarily available only through contacts with other researchers, including colleagues at NASA Ames and at other institutions. Once obtained, the indices must be convolved with the telescopic data and then used in a computational model to produce the required synthetic spectrum for comparison with the data obtained at the telescope. In this way, we reach a convergence on the chemical composition and microstructural properties of the surfaces of objects in the outer Solar System.

DalleOre, Cristina↗
NASA NTRS2023

NASA GRC ICME Schema for Materials Data Management: An Executive Summary

Integrated Computational Materials Engineering (ICME) has received a growing emphasis in attention due its potential impact on rapid material design, reduction in cost and time to market for new applications, and the promise of ‘fit-for-purpose’ materials coupled with recent advances in high performance computing and material characterization tools. However, for an organization to implement ICME practices for material discovery and design, a series of both technical and cultural challenges must be overcome to foster an environment that enables efficient, traceable, and predictive multiscale simulations of material behavior to enable virtual design of materials. In 2016, NASA sponsored a 2040 Vision study to define the potential 25-year future state required for integrated multiscale modeling of materials and systems to improve both the associated time and cost for aerospace and aeronautical innovation. The study envisions a cyber-physical-social ecosystem of experimentally validated computational models, tools, and techniques, along with the associated digital tapestry, that can enable rapid, optimized, ‘fit-for-purpose’ design of materials, components, and systems. A key requirement for such an ecosystem is the development of a robust information management system for materials across their full lifecycle, including material pedigree, experimental (real) and virtual (simulation) data, developed material models, and the implementation of models in engineering applications, such that process-structure-property-performance relationships can be established, thereby enabling the virtual design and optimization of materials. Such an information management system must be able to effectively capture: i) material information at each length scale; ii) test data and analysis; iii) associated material models; and iv) material and model deployment in engineering applications. These systems must also provide traceability between experimental and virtual representations of the material to ensure, when appropriate, the material digital twin is maintained. Additionally, this robust material information management system must be able to seamlessly connect with both commercial and an organization’s in-house software tools, be they analysis tools, other material databases, product lifecycle management (PLM) or simulation data management (SDM) tools, etc., such that automation of the design and analysis of a material across multiple length scales is possible. In this paper, an executive summary of the NASA GRC ICME Schema for materials information management is presented. The database best practices and schema design philosophy specifically for ICME materials data management and an overview description of each element in the schema is given, along with its associated role in an ICME workflow. Additionally, auxiliary tools that interact with the database and provide judicious automation with regards to importing, exporting, and analyzing materials data are presented. Such tools are critical to an ICME ecosystem, not only for their role in enabling optimization, but also in relieving users of tedious manual tasks, thus helping to promote adoption and combat the cultural challenges organizations face in enabling ICME.

Materials↗