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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantum Software Engineering (Dagstuhl Seminar 24512)

The Dagstuhl Seminar 24512 on "Quantum Software Engineering" was held from December 15 to 20, 2024. It brought together 26 participants from industry and academia from 13 different countries, including senior and junior researchers as well as practitioners in the field of Quantum Software Engineering. The aim of the seminar was to advance software engineering methods and tools for the engineering of hybrid quantum systems by promoting personal interaction and open discussion among researchers who are already working in this emerging area of knowledge. The first day of the seminar was devoted to the topic "When software engineering meets quantum mechanics", while the second day focused on "Quantum software engineering and its challenges." During both days, 16 invited presentations were given. The rest of the seminar was organized into three working groups to address the topics "Quantum Software Design, Modelling and Architecturing", "Adaptive Hybrid Quantum Systems", and "Quantum Software Quality Assurance". The seminar was a very fruitful experience for all participants both in terms of scientific outcomes and in terms of the personal relationships that were generated to jointly address future experiences.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

Resource Management and Contingencies in Aerospace Concurrent Engineering

significant concern in designing complex systems implementing new technologies is that while knowledge about the system is acquired incrementally, substantial financial commitments, even make-or-break decisions, must be made upfront, essentially in the unknown. One practice that helps in dealing with this dichotomy is the smart embedding of contingencies and margins in the design to serve as buffers against surprises. This issue presents itself in full force in the aerospace industry, where unprecedented systems are formulated and committed to as a matter of routine. As more and more aerospace mission concepts are generated by concurrent design laboratories, it is imperative that such laboratories apply well thought-out contingency and margin structures to their designs. The first part of this publication provides an overview of resource management techniques and standards used in the aerospace industry. That is followed by a thought provoking treatise on margin policies. The expose presents the actual flight telemetry data recorded by the thermal discipline during several recent NASA Goddard Space Flight Center missions. The margins actually achieved in flight are compared against pre-flight predictions, and the appropriateness and the ramifications of having designed with rigid margins to bounding stacked worst case conditions are assessed. The second half of the paper examines the particular issues associated with the application of contingencies and margins in the concurrent engineering environment. In closure, a discipline-by-discipline disclosure of the contingency and margin policies in use at the Integrated Design Center at NASA s Goddard Space Flight Center is made.

Karpati, Gabe↗
DOE OSTI2021

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗
NASA NTRS1992

There is No Free Lunch: Tradeoffs in the Utility of Learned Knowledge

With the recent introduction of learning in integrated systems, there is a need to measure the utility of learned knowledge for these more complex systems. A difficulty arrises when there are multiple, possibly conflicting, utility metrics to be measured. In this paper, we present schemes which trade off conflicting utility metrics in order to achieve some global performance objectives. In particular, we present a case study of a multi-strategy machine learning system, mutual theory refinement, which refines world models for an integrated reactive system, the Entropy Reduction Engine. We provide experimental results on the utility of learned knowledge in two conflicting metrics - improved accuracy and degraded efficiency. We then demonstrate two ways to trade off these metrics. In each, some learned knowledge is either approximated or dynamically 'forgotten' so as to improve efficiency while degrading accuracy only slightly.

Kedar, Smadar T.↗
NASA NTRS1990

Probabilistic failure assessment with application to solid rocket motors

A quantitative methodology is being developed for assessment of risk of failure of solid rocket motors. This probabilistic methodology employs best available engineering models and available information in a stochastic framework. The framework accounts for incomplete knowledge of governing parameters, intrinsic variability, and failure model specification error. Earlier case studies have been conducted on several failure modes of the Space Shuttle Main Engine. Work in progress on application of this probabilistic approach to large solid rocket boosters such as the Advanced Solid Rocket Motor for the Space Shuttle is described. Failure due to debonding has been selected as the first case study for large solid rocket motors (SRMs) since it accounts for a significant number of historical SRM failures. Impact of incomplete knowledge of governing parameters and failure model specification errors is expected to be important.

Jan, Darrell L.↗
NASA NTRS2015

U.S. Spacesuit Knowledge Capture Status and Initiatives in Fiscal Year 2014

Since its 2008 inception, the NASA U.S. Spacesuit Knowledge Capture (KC) program has shared historical spacesuit information with engineers and other technical team members to expand their understanding of the spacesuit's evolution, known capability and limitations, and future desires and needs for its use. As part of the U.S. Spacesuit KC program, subject-matter experts have delivered presentations, held workshops, and participated in interviews to share valuable spacesuit lessons learned to ensure this vital information will survive for existing and future generations to use. These events have included spacesuit knowledge from the inception of NASA's first spacesuit to current spacesuit design. To ensure that this information is shared with the entire NASA community and other interested or invested entities, these KC events were digitally recorded and transcribed to be uploaded onto several applicable NASA Web sites. This paper discusses the various Web sites that the KC events are uploaded to and possible future sites that will channel this information.

Chullen, Cinda↗
NASA NTRS1991

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 17: The relationship between seven variables and the use of US government technical reports by US aerospace engineers and scientists

A study was undertaken to investigate the relationship between the use of U.S. government technical reports by U.S. aerospace engineers and scientists and seven selected sociometric variables. Data were collected by means of a self-administered mail survey which was distributed to a randomly drawn sample of American Institute of Aeronautics and Astronautics (AIAA) members. Two research questions concerning the use of conference meeting papers, journal articles, in-house technical reports, and U.S. government technical reports were investigated. Relevance, technical quality, and accessibility were found to be more important determinants of the overall extent to which U.S. government technical reports and three other information products were used by U.S. aerospace engineers and scientists.

Pinelli, Thomas E.↗
NASA NTRS1994

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 37: The impact of political control on technical communications: A comparative study of Russian and US aerospace engineers and scientists

Until the recent dissolution of the Soviet Union, the Communist Party exerted a strict control of access to and dissemination of scientific and technical information (STI). This article presents models of the Soviet-style information society and the Western-style information society and discusses the effects of centralized governmental control of information on Russian technical communication practices. The effects of political control on technical communication are then used to interpret the results of a survey of Russian and U.S. aerospace engineers and scientists concerning the time devoted to technical communication, their collaborative writing practices and their attitudes toward collaboration, the kinds of technical documents they produce and use, and their use of computer technology, and their use of and the importance to them of libraries and technical information centers. The data are discussed in terms of tentative conclusions drawn from the literature. Finally, we conclude with four questions concerning government policy, collaboration, and the flow of STI between Russian and U.S. aerospace engineers and scientists.

Barclay, Rebecca O.↗
NASA NTRS1993

NASA/DOD Aerospace Knowledge Diffusion Research Project. Report 15: Technical uncertainty and project complexity as correlates of information use by US industry-affiliated aerospace engineers and scientists: Results of an exploratory investigation

An exploratory study was conducted that investigated the influence of technical uncertainty and project complexity on information use by U.S. industry-affiliated aerospace engineers and scientists. The study utilized survey research in the form of a self-administered mail questionnaire. U.S. aerospace engineers and scientists on the Society of Automotive Engineers (SAE) mailing list served as the study population. The adjusted response rate was 67 percent. The survey instrument is appendix C to this report. Statistically significant relationships were found to exist between technical uncertainty, project complexity, and information use. Statistically significant relationships were found to exist between technical uncertainty, project complexity, and the use of federally funded aerospace R&D. The results of this investigation are relevant to researchers investigating information-seeking behavior of aerospace engineers. They are also relevant to R&D managers and policy planners concerned with transferring the results of federally funded aerospace R&D to the U.S. aerospace industry.

Pinelli, Thomas E.↗
DOE OSTI2020

Challenges and Opportunities in Staffing and Knowledge Transfer at Research Reactors

University research reactors have been a cornerstone of nuclear engineering research and education since the first reactor was deployed at North Carolina State University in the 1950s. The population of university reactors grew to a high of almost 80 in 1970 but has dropped to 24 operating today. The US Department of Energy – Office of Nuclear Energy supports the remaining reactors through fuel and infrastructure funding. The Nuclear Science User Facilities (NSUF) collaborated with the National Organization of Test, Research, and Training Reactors (TRTR) to study the needs of the university research reactor community. Staffing and knowledge transfer were identified as critical areas. The panel will discuss challenges and opportunities in these areas including how COVID-19 has affected their facilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Advanced Syngas Cleanup Using Radically Engineered Modular Systems

The overall objective of this project was to address key knowledge gaps and develop modular sorbent-based warm syngas cleanup designs that will enable 1- to 5-MW REMS-based plants to be cost-competitive with large state-of-the-art commercial plants utilizing all of our abundant domestic coal reserves. We proposed to develop two potential new desulfurization process designs specifically targeted for REMS plants for combined heat and power or polygeneration from coal gasification. The first design is a modification of our commercially offered dual transport reactor design based Warm-gas Desulfurization Process (WDP) where the transport-reactor regenerator is replaced with a fluidized-bed regenerator. This design leverages the learnings obtained from our pre-commercial demonstration testing of the WDP technology for over 3,000 hours and conclusions from the lessons learned workshop. The second design is a fixed-bed process that leverages the successful composition and chemistry of our WDP sorbent to develop an effective fixed-bed sorbent formulation and fixed-bed process design. These two potential desulfurization process designs have a strong technical likelihood of success and offer the best opportunity to effectively employ design standardization, mass production and advanced manufacturing techniques to enable cost competitiveness for syngas cleanup at smaller scale.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2015

Cryogenic Propellant Storage and Transfer Engineering Development Unit Hydrogen Tank

The Cryogenic Propellant Storage and Transfer (CPST) project has been a long-running program in the Space Technology Mission Directorate to enhance the knowledge and technology related to handling cryogenic propellants, specifically liquid hydrogen. This particular effort, the CPST engineering development unit (EDU), was a proof of manufacturability effort in support of a flight article. The EDU was built to find and overcome issues related to manufacturability and collect data to anchor the thermal models for use on the flight design.

Werkheiser, Arthur↗
NASA NTRS1999

Science Communications: Providing a Return on Investment to the Taxpayer

Nowhere is the disconnect between needing to better communicate science and technology and the skills and techniques used for that communication more evident than in the Federal research enterprise. As Federal research budgets stagnate or decline, and despite public clamor for more and better scientific information, communication of basic research results continues to rank among the lowest agency priorities, mortgaged against traditional public-relations activities to polish an agency's image or control negative information flow to the press and public. Alone among the Federal agencies, NASA articulates in its strategic plan the need "...to advance and communicate scientific knowledge and understanding..." These words emphasize the reality that if new knowledge is generated but not communicated, only half the job has been done. This is a reflection of the transition of NASA from primarily an engineering organization used to help win the Cold War to a producer of new knowledge and technology in the National interest for the 21st century.

Horack, John M.↗
DOE OSTI2021

Chapter 4: What We Can Learn from Measuring Metabolic Fluxes in Cyanobacteria

Cyanobacteria with the capability of oxygen-evolving photosynthesis play a vital role in the global carbon, oxygen, and nitrogen cycles. From a biochemical perspective, all phenotypic traits and functions of cyanobacteria are derived from the potential of their metabolism and mirrored in metabolic fluxes through an integrated metabolic network. Metabolic flux, the rate of turnover of molecules through a metabolic pathway, is therefore of great importance for an in-depth understanding of the role of cyanobacteria in the biosphere. Recent interest in cyanobacteria metabolic fluxes is also motivated by the prospect to utilize their light-driven CO2 fixation for sustainable production of valuable chemicals and biofuels. Valorization of cyanobacterial metabolism will require engineering of the native metabolic network - a challenge that can benefit from a quantitative understanding of metabolic reactions taking place intracellularly. In this chapter, we will discuss some intriguing questions relevant to metabolic fluxes in cyanobacteria: How are metabolic fluxes predicted or measured? What do we know about the fluxome inside various cyanobacteria thus far? How are they different between strains as well as in different conditions? And how can we use fluxomics information to guide metabolic engineering and synthetic biology? This chapter will highlight updated knowledge on cyanobacterial metabolism. Specifically, we will focus on providing readers a quantitative vision to understand how this photosynthetic model works.

BASIC BIOLOGICAL SCIENCES,INORGANIC, ORGANIC, PHYS↗
DOE OSTI2018

Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment

The structure of bulk and nondefective compounds is generally described with crystal models built from well mastered techniques such the analysis of an X-ray diffractogram. The presence of defects, such as cationic vacancies, locally disrupt the long-range order, with the appearance of local structures with order extending only a few nanometers. To probe and describe the electrochemical properties of cation-deficient anatase, we investigated a series of materials having different concentrations of vacancies, i.e., Ti 1–x–y $\square$ x+y O 2–4(x+y) F 4x (OH) 4y , and compared their properties with respect to defect-free stoichiometric anatase TiO2. At first, we characterized the series of materials Ti 1–x–y $\square$ x+y O 2–4(x+y) F 4x (OH) 4y by means of pair distribution function (PDF), 19 F nuclear magnetic resonance (NMR), Raman and X-ray photoelectron spectroscopies, to probe the compositional and structural features. Second, we characterized the insertion electrochemical properties vs metallic lithium where we emphasized the beneficial role of the vacancies on the cyclability of the electrode under high C-rate, with performances scaling with the concentration of vacancies. The improved properties were explained by the change of the lithium insertion mechanism due to the presence of the vacancies, which act as host sites and suppress the phase transition typically observed in pure TiO 2 , and further favor diffusive transport of lithium within the structure. NMR spectroscopy performed on lithiated samples provides evidence for the insertion of lithium in vacancies. By combining electrochemistry and DFT-calculations, we characterized the electrochemical signatures of the lithium insertion in the vacancies. Importantly, we found that the insertion voltage largely depends on the local anionic environment of the vacancy with a fluoride and hydroxide-rich environments, yielding high and low insertion voltages, respectively. Lastly, this work further supports the beneficial use of defects engineering in electrodes for batteries and provides new fundamental knowledge in the insertion chemistry of cationic vacancies as host sites.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Exciton-dominated dielectric function of atomically thin MoS 2 films

We systematically measure the dielectric function of atomically thin MoS 2 films with different layer numbers and demonstrate that excitonic effects play a dominant role in the dielectric function when the films are less than 5–7 layers thick. The dielectric function shows an anomalous dependence on the layer number. It decreases with the layer number increasing when the films are less than 5–7 layers thick but turns to increase with the layer number for thicker films. We show that this is because the excitonic effect is very strong in the thin MoS 2 films and its contribution to the dielectric function may dominate over the contribution of the band structure. We also extract the value of layer-dependent exciton binding energy and Bohr radius in the films by fitting the experimental results with an intuitive model. The dominance of excitonic effects is in stark contrast with what reported at conventional materials whose dielectric functions are usually dictated by band structures. Lastly, the knowledge of the dielectric function may enable capabilities to engineer the light-matter interactions of atomically thin MoS 2 films for the development of novel photonic devices, such as metamaterials, waveguides, light absorbers, and light emitters.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structure and dynamics of ethane confined in silica nanopores in the presence of CO 2

Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon species inside nano-porous matrices at elevated pressure and temperature is less developed compared to bulk fluids, but this knowledge is of great importance for chemical and energy engineering industries. This study explores in detail the structure and dynamics of ethane (C 2 H 6 ) fluid confined in silica nanopores, with a focus on the effects of pressure and different ratios of C 2 H 6 and CO 2 at non-ambient temperature. Quasi-elastic neutron scattering (QENS) experiments were carried out for the pure C 2 H 6 , C 2 H 6 :CO 2 = 3:1, and 1:3 mixed fluids confined in 4-nm cylindrical silica pores at three different pressures (30 bars, 65 bars, and 100 bars) at 323 K. Two Lorentzian functions were required to fit the spectra, corresponding to fast and slow translational motions. No localized motions (rotations and vibrations) were detected. Higher pressures resulted in hindrances of the diffusivity of C 2 H 6 molecules in all systems investigated. Pore size was found to be an important factor, i.e., the dynamics of confined C 2 H 6 is more restricted in smaller pores compared to the larger pores used in previous studies. Molecular dynamics simulations were performed to complement the QENS experiment at 65 bars, providing supportive structure information and comparable dynamic information. The simulations indicate that CO 2 molecules are more strongly attracted to the pore surface compared to C 2 H 6 . The C 2 H 6 molecules interacting with or near the pore surface form a dense first layer (L1) close to the pore surface and a second less dense layer (L2) extending into the pore center. Both the experiments and simulations revealed the role that CO 2 molecules play in enhancing C 2 H 6 diffusion (“molecular lubrication”) at high CO 2 :C 2 H 6 ratios. The energy scales of the two dynamic components, fast and slow, quantified by both techniques, are in very good agreement. Herein, the simulations identified the fast component as the main contributor to the dynamics. Molecule motions in the L2 region are mostly responsible for the dynamics (fast and slow) that can be detected by the instrument.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Surface bypass as a means of protecting downstream-migrating fish: lack of standardised evaluation criteria complicates evaluation of efficacy

A surface bypass is a downstream migration structure that can help reduce hydropower-induced damage to migrating fish. We reviewed results of laboratory and field studies conducted in North America, Europe, and Australia between 1982 and 2017 concerning surface bypass efficacy. The main challenges in designing efficient surface bypasses were identified to be the simultaneous consideration of hydraulic and geometrical parameters and biological knowledge of fish behavior. Without the combined efforts of engineers and biologists, an efficient bypass design cannot be achieved. Moreover, the use of different criteria for evaluating bypass performance prevents direct comparison of the results of studies and deduction of design criteria. Bypass efficiency is a term that is widely used, but no standard definition of the term exists. Its definition can thus vary among studies. Two groups of definitions were identified: One group uses only those fish that approach or pass the dam whereas the other group includes all marked or tagged fish that are released upstream of a dam regardless of their fate after release. Within these groups, the definitions of bypass efficiency are comparable. Based on this concept, the efficiencies for different fish species at surface bypasses were identified: eels (11% // 10%), Pacific salmon (46% // 19%), steelhead and brown trout (49% // 41%), and Atlantic salmon (72% // 48%). Currently it is not possible to formulate design criteria for a wide range of species because available data are insufficient data. We recommend that in future bypass studies, more comparable standards and performance criteria should be used and both successes and failures should be reported.

Klopries, Elena-Maria↗