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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Neutron reflectometry investigations of interfacial structures of Ti/TiN layers deposited by magnetron sputtering

We report that nanolayered metal-ceramic composite systems provide the possibility to produce new materials with exceptional strength, toughness, and radiation resistance not exhibited by their individual constituents. The unusual behaviors are frequently attributed to the high density of internal interfaces. Most layered structures studied to date contain sharp interfaces and the synthesis of more diffuse interfacial structures, where the interface is graded out of the interface plane, has not been deeply explored. Here we show how neutron reflectometry was used to study the structure of magnetron sputter deposited titanium and titanium nitride (Ti/TiN) layers as a function of deposition parameters: temperature, rate of N 2 flow or pressure, electrical bias applied to the sample, and orientation of the ion source relative to the sample. These different deposition and post-processing strategies resulted in profound changes in the structure of the interfacial region between the two components in Ti/TiN x bilayers. Finally, the results show that temperature and low step-wise N 2 flow rates, but not electrical bias, can form graded interfaces in a controlled manner.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Nuclear Science References Database

The Nuclear Science References (NSR) database together with its associated Web interface, is the world's only comprehensive source of easily accessible low- and intermediate-energy nuclear physics bibliographic information for more than 210,000 articles since the beginning of nuclear science. The weekly-updated NSR database provides essential support for nuclear data evaluation, compilation and research activities. The principles of the database and Web application development and maintenance are described. Examples of nuclear structure, reaction and decay applications are specifically included. The complete NSR database is freely available at the websites of the National Nuclear Data Center (http://www.nndc.bnl.gov/nsr) and the International Atomic Energy Agency (http://www-nds.iaea.org/nsr)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Porphyrin Covalent Organic Framework (POF)-Based Interface Engineering for Solar Steam Generation

Through replacement of traditional energy sources with sunlight as the heat source, solar steam generation has emerged as a promising technology for water purification and residuals management. Despite significant efforts to develop efficient photothermal materials for solar steam devices, challenges associated with scalable fabrication of high-performance materials remain. Moreover, most existing methods cannot be easily engineered to produce steam-generating devices with both arbitrary control over shape and high photothermal efficiency. Herein, a flexible porphyrin organic framework (POF)-based interface engineering method is introduced to produce high-performance solar steam generators. POFs, a recently discovered class of materials, are demonstrated to grow readily on a diverse range of porous substrates, including membranes, fabrics, sponges, and wood. Wood@POF exhibits particularly strong performance, achieving approximate to 80% light-to-steam conversion efficiency. This study demonstrates a universal, simple, and scalable interface engineering strategy for the fabrication of solar steam generators based on POF materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Irradiation-induced formation of a spinel phase at the FeCr/MgO interface

Oxide dispersion strengthened ferritic/martensitic alloys have attracted significant attention for their potential uses in future nuclear reactors and storage vessels, as the metal/oxide interfaces act as stable high-strength sinks for point defects while also dispersing helium. Here, in order to unravel the evolution and interplay of interface structure and chemistry upon irradiation in these types of materials, an atomically sharp FeCr/MgO interface was synthesized at 500 °C and separately annealed and irradiated with Ni 3+ ions at 500 °C. After annealing, a slight enrichment of Cr atoms was observed at the interface, but no other structural changes were found. However, under irradiation, sufficient Cr diffuses across the interface into the MgO to form a Cr-enriched transition layer that contains spinel precipitates. First-principles calculations indicate that it is energetically favorable to incorporate Cr, but not Fe, substitutionally into MgO. Furthermore, our results indicate that irradiation can be used to form new phases and complexions at interfaces, which may have different radiation tolerance than the pristine structures.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Glide dislocation nucleation from dislocation nodes at semi-coherent {111} Cu–Ni interfaces

Using atomistic simulations and dislocation theory on a model system of semi-coherent {1 1 1} interfaces, we show that misfit dislocation nodes adopt multiple atomic arrangements corresponding to the creation and redistribution of excess volume at the nodes. We identified four distinctive node structures: volume-smeared nodes with (i) spiral or (ii) straight dislocation patterns, and volume-condensed nodes with (iii) triangular or (iv) hexagonal dislocation patterns. Volume-smeared nodes contain interfacial dislocations lying in the Cu–Ni interface but volume-condensed nodes contain two sets of interfacial dislocations in the two adjacent interfaces and jogs across the atomic layer between the two adjacent interfaces. Finally, under biaxial tension/compression applied parallel to the interface, we show that the nucleation of lattice dislocations is preferred at the nodes and is correlated with the reduction of excess volume at the nodes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

The restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, in particular, often adopt very different compositions and morphologies at surfaces compared to the bulk. For the first time, we reveal a detailed atomistic picture of long-time scale restructuring of Pd deposited on Ag using microscopy, spectroscopy, and novel simulation methods. By developing and performing accelerated machine-learning molecular dynamics followed by an automated analysis method, we discover and characterize previously unidentified surface restructuring mechanisms in an unbiased fashion, including Pd-Ag place exchange and Ag pop-out as well as step ascent and descent. Remarkably, layer-by-layer dissolution of Pd into Ag is always preceded by an encapsulation of Pd islands by Ag, resulting in a significant migration of Ag out of the surface and a formation of extensive vacancy pits within a period of microseconds. These metastable structures are of vital catalytic importance, as Ag-encapsulated Pd remains much more accessible to reactants than bulk-dissolved Pd. We report our approach is broadly applicable to complex multimetallic systems and enables the previously intractable mechanistic investigation of restructuring dynamics at atomic resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Enhancing detection of topological order by local error correction

The exploration of topologically-ordered states of matter is a long-standing goal at the interface of several subfields of the physical sciences. Such states feature intriguing physical properties such as long-range entanglement, emergent gauge fields and non-local correlations, and can aid in realization of scalable fault-tolerant quantum computation. However, these same features also make creation, detection, and characterization of topologically-ordered states particularly challenging. Motivated by recent experimental demonstrations, we introduce a paradigm for quantifying topological states—locally error-corrected decoration (LED)—by combining methods of error correction with ideas of renormalization-group flow. Our approach allows for efficient and robust identification of topological order, and is applicable in the presence of incoherent noise sources, making it particularly suitable for realistic experiments. We demonstrate the power of LED using numerical simulations of the toric code under a variety of perturbations. We subsequently apply it to an experimental realization, providing new insights into a quantum spin liquid created on a Rydberg-atom simulator. Finally, we extend LED to generic topological phases, including those with non-abelian order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Realizing Scientific Methods for Cyber Security

There is little doubt among cyber security researchers about the lack of scientic rigor that underlies much of the liter-ature. The issues are manifold and are well documented. Further complicating the problem is insufficient scientic methods to address these issues. Cyber security melds man and machine: we inherit the challenges of computer science, sociology, psychology, and many other elds and create new ones where these elds interface. In this paper we detail a partial list of challenges imposed by rigorous science and survey how other sciences have tackled them, in the hope of applying a similar approach to cyber security science. This paper is by no means comprehensive: its purpose is to foster discussion in the community on how we can improve rigor in cyber security science.

Cyber, Security, Science, Methods, Challenges↗
DOE OSTI2014

Electron Transfer Dynamics in Efficient Molecular Solar Cells

This research provided new mechanistic insights into surface mediated photochemical processes relevant to solar energy conversion. In this past three years our research has focused on oxidation photo-redox chemistry and on the role surface electric fields play on basic spectroscopic properties of molecular-semiconductor interfaces. Although this research as purely fundamental science, the results and their interpretation have relevance to applications in dye sensitized and photogalvanic solar cells as well as in the storage of solar energy in the form of chemical bonds.

14 SOLAR ENERGY↗
DOE OSTI2020

Catalytic oxidative coupling of arenes and alkanes: applications for efficient chemical synthesis and for hydrocarbon oligomerization. Progress Report 2016-7. Final report

This is the final report for DE-FG02-08ER15997 with a grant period of 8/15/2008-8/14/2018 (plus 1 year NCE); Program: Basic Energy Sciences; PI: Melanie S. Sanford; co-PI: Adam J. Matzger. The project resulted in 20 publications, 12 supported entirely by this grant and 8 supported substantially by this grant. The overall goals of this project were design catalysts (both homogeneous catalysts and MOF-supported catalysts) to control reactivity and selectivity in energy relevant C–H bond functionalization reactions. The proposed research led to a variety of new catalysts and catalytic processes which are currently finding application in organic synthesis. These efforts were well aligned with the goals of the DOE BES Catalysis Science Program. C–H functionalization reactions have extensive applications in energy-related industries, including petroleum and biofuels processing. The research activities also matched many of the priority areas identified by the Catalysis Science Program, including: investigating problems at the interface of heterogeneous and homogeneous catalysis as a means to derive new catalysts; incorporating 2° interactions to modulate catalyst stability, reactivity, and selectivity; using these new catalysts to tune molecular-level catalytic activity and selectivity; and studying structure-reactivity relationships of inorganic, organic, or hybrid catalytic materials in solution.

02 PETROLEUM↗
DOE OSTI2026

A Cryogenic Muon Tagging System Integrated with a Superconducting Qubit Device for Radiation-Induced Error Mitigation

Superconducting qubits are highly sensitive to ionizing radiation, which can induce correlated errors and limit scalable fault-tolerant quantum computing. In particular, cosmic-ray muons can deposit energy in the substrate, generating phonon bursts that break Cooper pairs and produce quasiparticles, leading to correlated decoherence events across multiple qubits. We present the development of a cryogenic muon tagging system based on Kinetic Inductance Detectors (KIDs) and its integration with superconducting quantum hardware. Originally developed within the ACE-SuperQ project and validated as a standalone detector, the system demonstrated a muon tagging efficiency of approximately 90% and excellent agreement with Monte Carlo simulations. Building on this validation, the tagging system has been integrated with a multi-qubit superconducting chip operated in a dilution refrigerator. The detector configuration consists of a multi-layer KID stack arranged above and below the quantum device, enabling time-coincident identification of muon-induced events within the same cryogenic environment. The integrated setup has been successfully commissioned, enabling simultaneous operation of the qubit chip and the muon tagging system. A first measurement campaign has been carried out, and preliminary data show time-correlated events between the muon tagging detectors and the qubit readout. A quantitative analysis of radiation-induced effects on qubit performance is currently ongoing. This work represents a step toward the implementation of event-level radiation tagging as a tool for characterizing and potentially mitigating correlated errors in superconducting quantum processors, while establishing a modular platform for future studies at the interface between particle physics and quantum information science.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
NASA NTRS1986

High-resolution Surface Analysis by Microarea Auger Spectroscopy: Computerization and Characterization

A custom scanning Auger electron microscope (SAM) capable of introducing a 3-5 keV electron beam of several nA into a 30 nm diameter sample area was fitted with a sample introduction system and was fully computerized to be used for materials science research. The method of multispectral Auger imaging was devised and implemented. The instrument was applied to various problems in materials science, including the study of the fiber/matrix interface in a SiC reinforced titanium alloy, the study of SiC whiskers in Al alloy 2124 (in cooperation with NASA-Langley), the study of NiCrAl superalloys (in collaboration with NASA-Lewis), the study of zircalloy specimens (in collaboration with Stanford University), and the microstructure of sintered SiC specimens (in collaboration with NASA-Lewis). The report contains a number of manuscripts submitted for publication on these subjects.

Browning, R.↗
NASA NTRS1987

User engineering: A new look at system engineering

User Engineering is a new System Engineering perspective responsible for defining and maintaining the user view of the system. Its elements are a process to guide the project and customer, a multidisciplinary team including hard and soft sciences, rapid prototyping tools to build user interfaces quickly and modify them frequently at low cost, and a prototyping center for involving users and designers in an iterative way. The main consideration is reducing the risk that the end user will not or cannot effectively use the system. The process begins with user analysis to produce cognitive and work style models, and task analysis to produce user work functions and scenarios. These become major drivers of the human computer interface design which is presented and reviewed as an interactive prototype by users. Feedback is rapid and productive, and user effectiveness can be measured and observed before the system is built and fielded. Requirements are derived via the prototype and baselined early to serve as an input to the architecture and software design.

Mclaughlin, Larry L.↗
NASA NTRS1989

NDE in aerospace - Requirements for science, sensors and sense

The complexity of modern nondestructive evaluation (NDE) arises from four main factors: quantitative measurement science, physical models for computational analysis, realistic interfacing with engineering decisions, and direct access to management priorities. Recent advances in the four factors of NDE are addressed. Physical models of acoustic propagation are presented that have led to the development of measurement technologies advancing the ability to assure that materials and structures will perform as designed. In addition, a brief discussion is given of current research for future mission needs such as smart structures that sense their own health. Such advances permit projects to integrate design for inspection into their plans, bringing NDE into engineering and management priorities. The measurement focus is on ultrasonics with generous case examples. Problem solutions highlighted include critical stress in fasteners, residual stress in steel, NDE laminography, and solid rocket motor NDE.

Heyman, Joseph S.↗
NASA NTRS2003

Twinning, Epitaxy and Domain Switching in Ferroelastic Inclusion Compounds

Our research is in the area of solid-state organic chemistry, which lies at the interface between physical organic chemistry and materials science. We use crystalline solids as models to probe fundamental issues about physical processes, molecular interactions and chemical reactions that are important for fabrication, stabilization and application of technological materials. Much of our most recent work has focused on the phenomena of ferroelastic and ferroelectric domain switching, in which application of an external force or electric field to a crystal causes the molecules inside the crystal to reorient, in tandem, to a new orientational state. To better understand and control the domain switching process, we have designed and synthesized over twenty closely related, ferroelastic organic crystals. Our approach has been to use crystalline inclusion compounds, in which one molecule (the guest) is trapped within the crystalline framework of a second molecule (the host). By keeping the host constant and varying the proportions and kinds of guests, it has been possible to tailor these materials so that domain switching is rapid and reversible (which is desirable for high technology applications). Inclusion compounds therefore serve as powerful systems for understanding the specific molecular mechanisms that control domain switching.

Hollingsworth, Mark D.↗
NASA NTRS2006

Earth Observing System Data Gateway

The Earth Observing System Data Gateway (EDG) software provides a "one-stop-shopping" standard interface for exploring and ordering Earth-science data stored at geographically distributed sites. EDG enables a user to do the following: 1) Search for data according to high-level criteria (e.g., geographic location, time, or satellite that acquired the data); 2) Browse the results of a search, viewing thumbnail sketches of data that satisfy the user s criteria; and 3) Order selected data for delivery to a specified address on a chosen medium (e.g., compact disk or magnetic tape). EDG consists of (1) a component that implements a high-level client/server protocol, and (2) a collection of C-language libraries that implement the passing of protocol messages between an EDG client and one or more EDG servers. EDG servers are located at sites usually called "Distributed Active Archive Centers" (DAACs). Each DAAC may allow access to many individual data items, called "granules" (e.g., single Landsat images). Related granules are grouped into collections called "data sets." EDG enables a user to send a search query to multiple DAACs simultaneously, inspect the resulting information, select browseable granules, and then order selected data from the different sites in a seamless fashion.

Pfister, Robin↗
NASA NTRS2012

NASA's Space Launch System: A Flagship for Exploration Beyond Earth's Orbit

The National Aeronautics and Space Administration s (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center, is making progress toward delivering a new capability for exploration beyond Earth orbit in an austere economic climate. This fact drives the SLS team to find innovative solutions to the challenges of designing, developing, fielding, and operating the largest rocket in history. To arrive at the current SLS plan, government and industry experts carefully analyzed hundreds of architecture options and arrived at the one clear solution to stringent requirements for safety, affordability, and sustainability over the decades that the rocket will be in operation. This paper will explore ways to fit this major development within the funding guidelines by using existing engine assets and hardware now in testing to meet a first launch by 2017. It will explain the SLS Program s long-range plan to keep the budget within bounds, yet evolve the 70 metric ton (t) initial lift capability to 130-t lift capability after the first two flights. To achieve the evolved configuration, advanced technologies must offer appropriate return on investment to be selected through a competitive process. For context, the SLS will be larger than the Saturn V that took 12 men on 6 trips for a total of 11 days on the lunar surface over 4 decades ago. Astronauts train for long-duration voyages on the International Space Station, but have not had transportation to go beyond Earth orbit in modern times, until now. NASA is refining its mission manifest, guided by U.S. Space Policy and the Global Exploration Roadmap. Launching the Orion Multi-Purpose Cargo Vehicle s first autonomous certification flight in 2017, followed by a crewed flight in 2021, the SLS will offer a robust way to transport international crews and the air, water, food, and equipment they need for extended trips to asteroids, Lagrange Points, and Mars. In addition, the SLS will accommodate high-priority science experiments. SLS affordability initiatives include streamlining interfaces, applying risk-based insight into contracted work, centralizing systems engineering and integration, and nurturing a learning culture that continually benchmarks its performance against successful ventures. As this paper will explain, the SLS is making measurable progress toward becoming a global infrastructure asset for robotic and human scouts of all nations by harnessing business and technological innovations to deliver sustainable solutions for space exploration.

May, Todd↗
NASA NTRS2012

NASA's Space Launch System: A Flagship for Exploration Beyond Earth's Orbit

The National Aeronautics and Space Administration's (NASA) Space Launch System (SLS) Program, managed at the Marshall Space Flight Center, is making progress toward delivering a new capability for exploration beyond Earth orbit in an austere economic climate. This fact drives the SLS team to find innovative solutions to the challenges of designing, developing, fielding, and operating the largest rocket in history. To arrive at the current SLS plan, government and industry experts carefully analyzed hundreds of architecture options and arrived at the one clear solution to stringent requirements for safety, affordability, and sustainability over the decades that the rocket will be in operation. This paper will explore ways to fit this major development within the funding guidelines by using existing engine assets and hardware now in testing to meet a first launch by 2017. It will explain the SLS Program s long-range plan to keep the budget within bounds, yet evolve the 70 metric ton (t) initial lift capability to 130-t lift capability after the first two flights. To achieve the evolved configuration, advanced technologies must offer appropriate return on investment to be selected through a competitive process. For context, the SLS will be larger than the Saturn V that took 12 men on 6 trips for a total of 11 days on the lunar surface over 4 decades ago. Astronauts train for long-duration voyages on the International Space Station, but have not had transportation to go beyond Earth orbit in modern times, until now. NASA is refining its mission manifest, guided by U.S. Space Policy and the Global Exploration Roadmap. Launching the Orion Multi-Purpose Crew Vehicle s (MPCV s) first autonomous certification flight in 2017, followed by a crewed flight in 2021, the SLS will offer a robust way to transport international crews and the air, water, food, and equipment they need for extended trips to asteroids, Lagrange Points, and Mars. In addition, the SLS will accommodate high-priority science experiments. SLS affordability initiatives include streamlining interfaces, applying risk-based insight into contracted work, centralizing systems engineering and integration, and nurturing a learning culture that continually benchmarks its performance against successful ventures. As this paper will explain, the SLS is making measurable progress toward becoming a global infrastructure asset for robotic and human scouts of all nations by harnessing business and technological innovations to deliver sustainable solutions for space exploration.

May, Todd A.↗