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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Electromagnetic observables of open-shell nuclei from coupled-cluster theory

Here we develop a new method to describe electromagnetic observables of open-shell nuclei with two nucleons outside a closed shell. This approach combines the equation-of-motion coupled-cluster method for such systems and the Lorentz integral transform technique, expanding the applicability of coupled-cluster theory for electromagnetic observables beyond closed-(sub)shell nuclei. To validate this new approach, we compute the non-energy-weighted dipole sum rule and the dipole polarizability of 16,24 ⁢O in both the closed-(sub)shell and the new equation-of-motion coupled-cluster frameworks, finding agreement within error bars. We then analyze the evolution of the dipole polarizability along the oxygen and calcium isotopic chains. Our predictions agree well with available experimental data and other available theoretical calculations for the closed-(sub)shell 16,22 ⁢O and the open-shell 18 O. In the calcium isotopes, we observe that our dipole polarizability predictions for open-shell nuclei are lower than those of closed-(sub)shell nuclei. We expect that our predictions for 24 O and 54,56 ⁢Ca will motivate future experimental studies at the drip line.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Effective field theory of pairing rotations

Pairing rotations are the low-energy excitations of finite superfluid systems, connecting systems that differ in their number of Cooper pairs. This paper presents a model-independent derivation of pairing rotations within an effective theory that exploits the emergent breaking of U(1) phase symmetries. The symmetries are realized nonlinearly and the Nambu-Goldstone modes depend only on time because the system is finite. Semimagic nuclei exhibit pairing rotational bands while the pairing spectrum becomes an elliptical paraboloid for open-shell nuclei. Model-independent relations between double charge-exchange reactions and α particle capture or knockout in open-shell nuclei are in analogy to the pair transfer reactions in a single superfluid. Odd semimagic nuclei are described by coupling a fermion to the superfluid. Furthermore, the leading-order theories reproduce data for pairing rotational bands within uncertainty estimates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1998

Open Architecture Data System for NASA Langley Combined Loads Test System

The Combined Loads Test System (COLTS) is a new structures test complex that is being developed at NASA Langley Research Center (LaRC) to test large curved panels and cylindrical shell structures. These structural components are representative of aircraft fuselage sections of subsonic and supersonic transport aircraft and cryogenic tank structures of reusable launch vehicles. Test structures are subjected to combined loading conditions that simulate realistic flight load conditions. The facility consists of two pressure-box test machines and one combined loads test machine. Each test machine possesses a unique set of requirements or research data acquisition and real-time data display. Given the complex nature of the mechanical and thermal loads to be applied to the various research test articles, each data system has been designed with connectivity attributes that support both data acquisition and data management functions. This paper addresses the research driven data acquisition requirements for each test machine and demonstrates how an open architecture data system design not only meets those needs but provides robust data sharing between data systems including the various control systems which apply spectra of mechanical and thermal loading profiles.

Lightfoot, Michael C.↗
DOE OSTI2021

Cross-shell excitations in Ca 46 studied with fusion reactions induced by a reaccelerated rare isotope beam

Discovering unexplored high-spin states in neutron-rich nuclei can open up a new direction to study band structure and the associated shell structure in isospin-asymmetric many-body systems. However, experimental reach has so far been limited to neutron-deficient or stable nuclei which are preferentially produced in fusion reactions used in such studies. Here in this paper, we report the first γ-ray spectroscopy with fusion reactions using a reaccelerated rare-isotope beam of 45 K performed at the ReA3 facility of the National Superconducting Cyclotron Laboratory. Using particle and γ-ray coincidence techniques, three new higher-lying states around 6 MeV and five new γ-ray transitions were identified for 46 Ca, suggesting three independent band structures formed from different particle-hole configurations. The rotational-like band built on the 0$^+_2$ state is established up to the tentatively assigned 6$^+_2$ state. New results are compared to large-scale shell model calculations, confirming the validity of the effective interaction describing particle-hole excitations across the Z=20 and N=28 shell gaps in the vicinity of doubly-magic 48 Ca.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2003

The Cam Shell: An Innovative Design With Materials and Manufacturing

Most of the personal audio and video recording devices currently sold on the open market all require hands to operate. Little consideration was given to designing a hands-free unit. Such a system once designed and made available to the public could greatly benefit mobile police officers, bicyclists, adventurers, street and dirt motorcyclists, horseback riders and many others. With a few design changes water sports and skiing activities could be another large area of application. The cam shell is an innovative design in which an audio and video recording device (such as palm camcorder) is housed in a body-mounted protection system. This system is based on the concept of viewing and recording at the same time. A view cam is attached to a helmet wired to a recording unit encased in a transparent body-mounted protection system. The helmet can also be controlled by remote. The operator will have full control in recording everything. However, the recording unit will be operated completely hands-free. This project will address the design considerations and their effects on material selection and manufacturing. It will enhance the understanding of the structure of materials, and how the structure affects the behavior of the material, and the role that processing play in linking the relationship between structure and properties. A systematic approach to design feasibility study, cost analysis and problem solving will also be discussed.

Chung, W. Richard↗
NASA NTRS2019

Software Tool for Tracking & Mapping the NASA Orion AA-2 Test Flight Ejectable Data Recorders in Real Time

On 2 July 2019, the NASA Ascent Abort 2 flight took place off the Florida coast to test the emergency systems to separate the Orion Crew Module (CM) from the future Space Launch System rocket in the event of a malfunction. During this high-altitude test, instrumentation data was recorded on twelve customized buoyant Ejectable Data Recorders (EDRs) and subsequently jettisoned from the CM in mid-air. Upon release, the EDRs activated their GPS-Iridium beacon systems and began transmitting Short Burst Data (SBD) messages via the Iridium satellite network to relay their individual location and system health information. To locate, track and retrieve each EDR from the ocean surface in real-time, multiple open-source programming tools (Python and Linux shells) were developed for parsing the incoming Iridium binary SBD messages. For this, a Linux laptop was used to receive the Iridium-generated emails containing the SBD messages and autonomously execute the parsing tools. The received SBD data contained location, timestamp and health status information that was translated, saved, and subsequently used for simultaneously generating a continuously updated color-coded tabular display summary and unique KML files used with Google Earth to track their locations. Once their locations were known, dedicated recovery vessels retrieved all EDRs from the ocean. An additional tool was also developed in order to generate 5- and 10-minute geolocation predictions for each EDR by deriving the displacement distance, elapsed time, displacement heading and velocity based on the latest known information available. The recovery vessels were also tracked with the use of a separate commercial GPS beacon system. After jettison, 67% of the EDRs transmitted valid data by the time they were retrieved from the ocean. However, the real-time information presented by the plotting tool allowed for the ready depiction of EDR dispersal patterns and reference drift trajectories, which contributed to the recovery of all twelve EDRs and the AA-2 flight data. Lastly, the available data showed that the distance between the software’s reported drift/predicted locations and the recovery locations did not exceed 38 meters, therefore demonstrating the advantages of this software tool for supporting real-time tracking and recovery efforts of beacon devices.

Moxey, Lucas↗
DOE OSTI2023

CoSMo - Shell Model Code

CoSMo is a comprehensive shell model code suite designed for nuclear shell model and configuration interaction calculations. Its highly structured and templated nature allows for flexibility and ease in applications, including those to open quantum systems with non-Hermitian Hamiltonians, clustering, and time-dependent dynamics.

Volya, Alexander↗
NASA NTRS1999

Design and Development of Lightweight Composite Tanks for the Mars Ascent Propulsion Technology

The investigation presented here focuses on the design and development of lightweight composite tanks for the Mars ascent propulsion technology. The proposed tanks are fabricated using the filament winding technique. The tanks will be used in the experimental permeability characterization of composite pressure vessels pressurized using cryogenic and kerosene fluids. We considered the geometry and composite material tailorability in the preliminary design formulation to obtain an isotensoid tank. The design formulation is based on membrane shell analysis. The tanks also include circular openings at the apex of the end caps for the installation of polar bosses. The development of a polar boss system was also investigated, and led to an innovative polar boss system that applies a uniform pressure on the o-ring gaskets. The permeability of these tanks was also considered and recommendations for improvement are presented.

Estrada, Hector↗
NASA NTRS2014

Development and Implementation of Dynamic Scripts to Execute Cycled WRF/GSI Forecasts

Automating the coupling of data assimilation (DA) and modeling systems is a unique challenge in the numerical weather prediction (NWP) research community. In recent years, the Development Testbed Center (DTC) has released well-documented tools such as the Weather Research and Forecasting (WRF) model and the Gridpoint Statistical Interpolation (GSI) DA system that can be easily downloaded, installed, and run by researchers on their local systems. However, developing a coupled system in which the various preprocessing, DA, model, and postprocessing capabilities are all integrated can be labor-intensive if one has little experience with any of these individual systems. Additionally, operational modeling entities generally have specific coupling methodologies that can take time to understand and develop code to implement properly. To better enable collaborating researchers to perform modeling and DA experiments with GSI, the Short-term Prediction Research and Transition (SPoRT) Center has developed a set of Perl scripts that couple GSI and WRF in a cycling methodology consistent with the use of real-time, regional observation data from the National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC). Because Perl is open source, the code can be easily downloaded and executed regardless of the user's native shell environment. This paper will provide a description of this open-source code and descriptions of a number of the use cases that have been performed by SPoRT collaborators using the scripts on different computing systems.

Zavodsky, Bradley↗
DOE OSTI2025

Deviations from the Isobaric Multiplet Mass Equation due to Threshold States

Recent studies have completed the A=16 isospin quintets for states with J π =0 + and 2 + . The dependence of their masses as a function of isospin projection shows evidence for deviations from quadratic behavior indicating isospin violation beyond the expectation from two-body forces. The deviation is most pronounced for the 2 + states. Predictions from the shell model embedded in the continuum (SMEC) allow us to explain that this isospin violation is associated with a modification of the nuclear structure due to the open-quantum-system nature of the proton-rich members of the quintet. In particular, the 0 + and 2 + states in 16 Ne and the 2 + state in 16 F are threshold resonances located just above a proton-decay threshold where s-wave coupling to the continuum is expected. The measured deviations of these threshold states from the quadratic behavior of the remaining members of the multiplets makes it possible to obtain information on the magnitude and the energy dependence of the continuum-coupling energy correction. Finally, continuum coupling is also indicated for the ground state of 8 C, but this time through p-wave coupling

coulomb energies & analogue states↗
NASA NTRS2004

Automated Euler and Navier-Stokes Database Generation for a Glide-Back Booster

The past two decades have seen a sustained increase in the use of high fidelity Computational Fluid Dynamics (CFD) in basic research, aircraft design, and the analysis of post-design issues. As the fidelity of a CFD method increases, the number of cases that can be readily and affordably computed greatly diminishes. However, computer speeds now exceed 2 GHz, hundreds of processors are currently available and more affordable, and advances in parallel CFD algorithms scale more readily with large numbers of processors. All of these factors make it feasible to compute thousands of high fidelity cases. However, there still remains the overwhelming task of monitoring the solution process. This paper presents an approach to automate the CFD solution process. A new software tool, AeroDB, is used to compute thousands of Euler and Navier-Stokes solutions for a 2nd generation glide-back booster in one week. The solution process exploits a common job-submission grid environment, the NASA Information Power Grid (IPG), using 13 computers located at 4 different geographical sites. Process automation and web-based access to a MySql database greatly reduces the user workload, removing much of the tedium and tendency for user input errors. The AeroDB framework is shown. The user submits/deletes jobs, monitors AeroDB's progress, and retrieves data and plots via a web portal. Once a job is in the database, a job launcher uses an IPG resource broker to decide which computers are best suited to run the job. Job/code requirements, the number of CPUs free on a remote system, and queue lengths are some of the parameters the broker takes into account. The Globus software provides secure services for user authentication, remote shell execution, and secure file transfers over an open network. AeroDB automatically decides when a job is completed. Currently, the Cart3D unstructured flow solver is used for the Euler equations, and the Overflow structured overset flow solver is used for the Navier-Stokes equations. Other codes can be readily included into the AeroDB framework.

Chaderjian, Neal M.↗
NASA NTRS2011

Pressure Shell Approach to Integrated Environmental Protection

The next generation of exploration mission human systems will require environmental protection such as radiation protection that is effective and efficient. In order to continue human exploration, habitat systems will require special shells to protect astronauts from hostile environments. The Pressure Shell Approach to integrated environmental (radiation) protection is a multi-layer shell that can be used for multifunctional environmental protection. Self-healing, self-repairing nano technologies and sensors are incorporated into the shell. This shell consists of multiple layers that can be tailored for specific environmental protection needs. Mainly, this innovation focuses on protecting crew from exposure to micrometeorites, thermal, solar flares, and galactic cosmic ray (GCR) radiation. The Pressure Shell Approach consists of a micrometeoroid and secondary ejecta protection layer; a thin, composite shell placed in between two layers that is non-structural; an open cavity layer that can be filled with water, regolith, or polyethylene foam; a thicker composite shell that is a structural load bearing that is placed between two layers; and a bladder coating on the interior composite shell. This multi-layer shell creates an effective radiation protection system. Most of its layers can be designed with the materials necessary for specific environments. In situ materials such as water or regolith can be added to the shell design for supplemental radiation protection.

Kennedy, Kriss J.↗
DOE OSTI2026

Interfacial Inversion of Stealth Surfactants

Amphiphilic macromolecular surfactants segregate to liquid–liquid interfaces, thereby reducing the interfacial tension and free energy. Here, we investigated “stealth surfactants” in the form of core–shell bottlebrush polymers comprised of pH-responsive diblock copolymer side chains forming a hydrophilic core and a hydrophobic shell, enabling solubility in oil. At liquid–liquid interfaces, these polymers undergo a structural “inversion”, with hydrophilic blocks segregating into the aqueous phase and hydrophobic blocks residing in the oil phase. The reconfiguration kinetics and surfactant properties are influenced by multiple factors, including the molecular weights of the backbone and side chain components, the hydrophilic-to-hydrophobic balance of the side chains, and the pH of the aqueous phase. An observed nonmonotonic dependence of interfacial tension with time is attributed to a progressive structural inversion, where the projected area of the macromolecule onto the interface decreases. To validate this inversion hypothesis, interfacial properties were characterized by sum-frequency generation vibrational spectroscopy, which revealed configurational changes of the core–shell bottlebrush polymers at the fluid interface and revealed a pH-dependent interfacial coverage. Coarse-grained molecular dynamics simulations supported these experimental findings, showing that the pH-responsive core and hydrophobic shell assume a time-averaged configuration with orientations parallel and perpendicular to the plane of the interface, respectively. These findings open routes to design multistimuli-responsive polymeric surfactants and compatibilizers, expanding their potential applications in advanced interfacial systems.

Stealth surfactants↗
DOE OSTI2023

Hydrogenated TiO 2 Carbon Support for PtRu Anode Catalyst in High‐Performance Anion‐Exchange Membrane Fuel Cells

Abstract The availability of durable, high‐performance electrocatalysts for the hydrogen oxidation reaction (HOR) is currently a constraint for anion‐exchange membrane fuel cells (AEMFCs). Herein, a rapid microwave‐assisted synthesis method is used to develop a core–shell catalyst support based on a hydrogenated TiO 2 /carbon for PtRu nanoparticles (NPs). The hydrogenated TiO 2 provides a strong metal‐support interaction with the PtRu NPs, which improves the catalyst's oxophilicity and HOR activity compared to commercial PtRu/C and enables greater size control of the catalyst NPs. The as‐synthesized PtRu/TiO 2 /C‐400 electrocatalyst exhibits respectable performance in an AEMFC operated at 80 °C, yielding the highest current density (up to 3× higher) within the catalytic region (compared at 0.80–0.90 V) and voltage efficiency (68%@ 0.5 A cm −2 ) values in the compared literature. In addition, the cell demonstrates promising short‐term voltage stability with a minor voltage decay of 1.5 mV h −1 . This “first‐of‐its‐kind in alkaline” work may open further research avenues to develop rapid synthesis methods to prepare advanced core–shell metal‐oxide/carbon supports for electrocatalysts for use in the next‐generation of AEMFCs with potential applicability to the broader electrochemical systems research community.

08 HYDROGEN↗
DOE OSTI2025

Advances and Challenges of SCAN and r 2 SCAN Density Functionals in Transition‐Metal Compounds

ABSTRACT Transition‐metal compounds (TMCs) with open‐shell d ‐electrons are characterized by a complex interplay of lattice, charge, orbital, and spin degrees of freedom, giving rise to various fascinating applications. Often exhibiting exotic properties, these compounds are commonly classified as correlated systems due to strong inter‐electronic interactions called Hubbard U . This inherent complexity presents significant challenges to Kohn‐Sham density functional theory (KS‐DFT), the most widely used electronic structure method in condensed matter physics and materials science. While KS‐DFT is, in principle, exact for the ground‐state total energy, its exchange‐correlation energy must be approximated in practice. The mean‐field nature of KS implementations, combined with the limitations of current exchange‐correlation density functional approximations, has led to the perception that DFT is inadequate for correlated systems, particularly TMCs. Consequently, a common workaround involves augmenting DFT with an on‐site Hubbard‐like U correction. In recent years, the strongly constrained and appropriately normed (SCAN) density functional, along with its refined variant r 2 SCAN, has achieved remarkable progress in accurately describing the structural, energetic, electronic, magnetic, and vibrational properties of TMCs, challenging the traditional perception of DFT's limitations. This review explores the design principles of SCAN and r 2 SCAN, highlights their key advancements in studying TMCs, explains the mechanisms driving these improvements, and addresses the remaining challenges in this evolving field.

Zhang, Yubo [Minjiang Collaborative Center for The↗
NASA NTRS1994

Pyrolaser Operating System

Software provides for control and acquisition of data from optical pyrometer. There are six individual programs in PYROLASER package. Provides quick and easy way to set up, control, and program standard Pyrolaser. Temperature and emisivity measurements either collected as if Pyrolaser in manual operating mode or displayed on real-time strip charts and stored in standard spreadsheet format for posttest analysis. Shell supplied to allow macros, which are test-specific, added to system easily. Written using Labview software for use on Macintosh-series computers running System 6.0.3 or later, Sun Sparc-series computers running Open-Windows 3.0 or MIT's X Window System (X11R4 or X11R5), and IBM PC or compatible computers running Microsoft Windows 3.1 or later.

Roberts, Floyd E., III↗
DOE OSTI2021

Density functional study of the variants of inter-Coulombic decay resonances in the photoionization of Cl@C 60

Inter-Coulombic decay (ICD) resonances in the photoionization of Cl@C 60 endofullerene molecule are calculated using a perturbative density functional theory (DFT) method. This is the first ICD study of an open shell atom in a fullerene cage. Here, three classes of resonances are probed: (i) Cl inner vacancies decaying through C 60 outer continua, (ii) C 60 inner vacancies decaying through Cl outer continua, and (iii) inner vacancies of either system decaying through the continua of Cl-C 60 hybrid levels, the hybrid Auger-ICD resonances. Comparisons with Ar@C 60 results reveal that the properties of hybrid Auger-ICD resonances are affected by the extent of level hybridization.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born–Oppenheimer Approximation

Long-range intermolecular interaction plays an essential role in (ultra)cold collisions. For monomers with degenerate electronic states, an accurate description of the long-range interaction can be challenging due to the potential breakdown of the Born–Oppenheimer approximation. In this work, we developed a general method to construct long-range interaction potential energy surfaces (IPESs) between arbitrary molecules using the degenerate perturbation theory of Schrödinger. To further simplify the application of this method, a group-theoretical method is introduced to identify nonzero components of electrostatic properties of monomers, especially for the nonlinear molecules. To demonstrate this approach, we report the long-range IPESs of the O( 3 P)–OH( 2 Π) and OH( 2 Π)–OH( 2 Π) systems. The excellent agreement with ab initio calculations in large separations, even near electronic degeneracies, confirms the accuracy of our approach. The method is expected to lay the groundwork for the accurate investigation of (ultra)cold collisional dynamics involving open-shell species.

ab initio calculations↗