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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The Scientific Case for Concurrent Neutron and X-ray Scattering and Spectroscopy

The interrogation of materials with X-rays or neutrons to determine the structure, energetics, and dynamics of materials is fundamental to advancing materials' physical and chemical science and developing innovative material technologies. A transcending challenge in developing novel materials is that progress hinges on understanding the structure and dynamics across multiple time and length scales in complex materials that feature multiple components, interfaces, and compositions. Despite the ever-growing demands on materials’ characterization, existing approaches are almost exclusively based on isolated X-ray or neutron scattering, i.e., an approach commensurate with the more narrowly defined needs of fifty years ago. A three-day workshop sponsored by the U.S. National Science Foundation (NSF) analyzed the demand for concurrent neutron and X-ray (NeX) experiments. It was held at the Spring Hill Suites, San Jose, California, from June 2 to 4, 2022. In this workshop, 70 national and international experts ascertained the crucial need to establish NeX capabilities to advance the science of complex materials and systems in the US. Here, we illustrate the need for NeX scattering and spectroscopy experiments by showcasing examples that span areas as diverse as biomaterials, energy science, soft matter, and nanomaterials. To provide NeX capability will require new instrumentation that enables concurrent experiments. Affected areas include chemistry, soft matter, quantum materials, pure and applied chemistry, bioscience, geoscience, and applied materials. NeX benefits research outcomes due to the complementarity of the two techniques, which is essential for better model refinement. While joint refinement of data from separate neutron and X-ray experiments is critical to avoid ambiguities, especially in multiphase-multicomponent materials, concurrent experiments overcome scientific and technical barriers associated with single measurements, separated by location and, thus, time. Among all the examples, these factors introduce uncertainties in the results that complicate data analysis. [1,2] [3] While models are strongly sample-dependent, the principles of joint refinement are generally applicable to these disciplines, including the development of advanced parameterization, modeling, and analysis techniques that also consider the temporal and spatial resolutions of the two methods, leading to unambiguous data interpretation. Solutions for technical barriers must be found to realize NeX experiments, including developing robust sample environments that meet the optical requirements of neutrons and X-rays.

36 MATERIALS SCIENCE↗
NASA NTRS1979

The GATE studies - Assessing the potential of future small general aviation turbine engines

Four studies have been completed that explore the opportunities for future General Aviation Turbine Engines (GATE) in the 150-1000 SHP class. These studies forecasted the potential impact of advanced technology turbine engines in the post-1988 market, identified important aircraft and missions, desirable engine sizes, engine performance and cost goals. Parametric evaluations of various engine cycles, configurations, design features, and advanced technology elements defined baseline conceptual engines for each of the important missions identified by the market analysis. Both fixed-wing and helicopter aircraft, and turboshaft, turboprop, and turbofan engines were considered. Key technology areas were recommended for NASA support in order to realize proposed improvements.

Strack, W. C.↗
NASA NTRS2000

Ceramic Matrix Composite Turbine Disk for Rocket Engines

NASA has recently completed testing of a ceramic matrix composite (CMC), integrally bladed disk (blisk) for rocket engine turbopumps. The turbopump's main function is to bring propellants from the tank to the combustion chamber at optimal pressures, temperatures, and flow rates. Advantages realized by using CMC blisks are increases in safety by increasing temperature margins and decreasing costs by increasing turbopump performance. A multidisciplinary team, involving materials, design, structural analysis, nondestructive inspection government, academia, and industry experts, was formed to accomplish the 4.5 year effort. This article will review some of the background and accomplishments of the CMC Blisk Program relative to the benefits of this technology.

Effinger, Mike↗
NASA NTRS1960

Applications of a General Finite-Difference Method for Calculating Bending Deformations of Solid Plates

This paper reports the findings of an investigation of a finite - difference method directly applicable to calculating static or simple harmonic flexures of solid plates and potentially useful in other problems of structural analysis. The method, which was proposed in doctoral thesis by John C. Houbolt, is based on linear theory and incorporates the principle of minimum potential energy. Full realization of its advantages requires use of high-speed computing equipment. After a review of Houbolt's method, results of some applications are presented and discussed. The applications consisted of calculations of the natural modes and frequencies of several uniform-thickness cantilever plates and, as a special case of interest, calculations of the modes and frequencies of the uniform free-free beam. Computed frequencies and nodal patterns for the first five or six modes of each plate are compared with existing experiments, and those for one plate are compared with another approximate theory. Beam computations are compared with exact theory. On the basis of the comparisons it is concluded that the method is accurate and general in predicting plate flexures, and additional applications are suggested. An appendix is devoted t o computing procedures which evolved in the progress of the applications and which facilitate use of the method in conjunction with high-speed computing equipment.

Walton, William C., Jr.↗
NASA NTRS2006

Strict Constraint Feasibility in Analysis and Design of Uncertain Systems

This paper proposes a methodology for the analysis and design optimization of models subject to parametric uncertainty, where hard inequality constraints are present. Hard constraints are those that must be satisfied for all parameter realizations prescribed by the uncertainty model. Emphasis is given to uncertainty models prescribed by norm-bounded perturbations from a nominal parameter value, i.e., hyper-spheres, and by sets of independently bounded uncertain variables, i.e., hyper-rectangles. These models make it possible to consider sets of parameters having comparable as well as dissimilar levels of uncertainty. Two alternative formulations for hyper-rectangular sets are proposed, one based on a transformation of variables and another based on an infinity norm approach. The suite of tools developed enable us to determine if the satisfaction of hard constraints is feasible by identifying critical combinations of uncertain parameters. Since this practice is performed without sampling or partitioning the parameter space, the resulting assessments of robustness are analytically verifiable. Strategies that enable the comparison of the robustness of competing design alternatives, the approximation of the robust design space, and the systematic search for designs with improved robustness characteristics are also proposed. Since the problem formulation is generic and the solution methods only require standard optimization algorithms for their implementation, the tools developed are applicable to a broad range of problems in several disciplines.

Crespo, Luis G.↗
NASA NTRS2010

Application of Diagnostic Analysis Tools to the Ares I Thrust Vector Control System

The NASA Ares I Crew Launch Vehicle is being designed to support missions to the International Space Station (ISS), to the Moon, and beyond. The Ares I is undergoing design and development utilizing commercial-off-the-shelf tools and hardware when applicable, along with cutting edge launch technologies and state-of-the-art design and development. In support of the vehicle s design and development, the Ares Functional Fault Analysis group was tasked to develop an Ares Vehicle Diagnostic Model (AVDM) and to demonstrate the capability of that model to support failure-related analyses and design integration. One important component of the AVDM is the Upper Stage (US) Thrust Vector Control (TVC) diagnostic model-a representation of the failure space of the US TVC subsystem. This paper first presents an overview of the AVDM, its development approach, and the software used to implement the model and conduct diagnostic analysis. It then uses the US TVC diagnostic model to illustrate details of the development, implementation, analysis, and verification processes. Finally, the paper describes how the AVDM model can impact both design and ground operations, and how some of these impacts are being realized during discussions of US TVC diagnostic analyses with US TVC designers.

Maul, William A.↗
NASA NTRS2011

Comparing Apollo and Mars Exploration Rover (MER) Operations Paradigms for Human Exploration During NASA Desert-Rats Science Operations

NASA's Desert Research and Technology Studies (D-RATS) field test is one of several analog tests that NASA conducts each year to combine operations development, technology advances and science under planetary surface conditions. The D-RATS focus is testing preliminary operational concepts for extravehicular activity (EVA) systems in the field using simulated surface operations and EVA hardware and procedures. For 2010 hardware included the Space Exploration Vehicles, Habitat Demonstration Units, Tri-ATHLETE, and a suite of new geology sample collection tools, including a self-contained GeoLab glove box for conducting in-field analysis of various collected rock samples. The D-RATS activities develop technical skills and experience for the mission planners, engineers, scientists, technicians, and astronauts responsible for realizing the goals of exploring planetary surfaces.

Yingst, R. A.↗
DOE OSTI2022

Multiscale spatial analysis of fracture arrangement and pattern reconstruction using Ripley's K-function

This work presents novel multiscale spatial data analytics using Ripley's K-function, as a measure of spatial interaction, to study one-dimensional arrangement of fractures. Fracture spatial arrangements are classified into clustered, anticlustered, or indistinguishable from random by testing statistical significance of the calculated Ripley's K-function. Characterizations of fracture arrangements are performed as a function of length scale and position. Analysis of the K-function along the study interval identifies where fracture clustering and anticlustering occur. Here, a simulation technique is also introduced here to statistically reconstruct spatial arrangements and to generate fracture realizations that are spatially similar to the fractures observed in the field. With this simulation technique, one can also fill spatial gaps in fracture measurements where data are absent, unreliable, or unused. Synthetic as well as field-measured 1D fracture datasets are used for testing and demonstration. Methods introduced in this work can be readily applied to fracture datasets observed in outcrops, borehole image logs, and cores.

58 GEOSCIENCES↗
DOE OSTI2016

SU-F-T-03: Radiobiological Evaluation of a Directional Brachytherapy Device Surgically Implanted Following EBRT

Purpose: Preceding surgical implantation following external-beam radiotherapy (EBRT) delivery, a radiobiological evaluation was performed for a new LDR Pd-103 directional brachytherapy device (CivaSheet). As this was the first case with the device used in combination with EBRT, there was concern to determine the appropriate prescription dose. Methods: The radiobiological model of Dale (1985, 1989) was used for a permanent LDR implant including radioactive decay. The biological effective dose (BED) was converted to the equivalent dose in 2 Gy fractions (EQD2) for comparison with EBRT prescription expectations. Given IMRT delivery of 50.4 Gy, an LDR brachytherapy dose of approximately 15–20 Gy EQD2 was desired. To be specific to the treatment site (leiomyosarcoma T2bN0M0, grade 2 with R1 surgical margin), the radiobiological model required several radiobiological parameters with values taken from the literature. A sensitivity analysis was performed to determine their relative importance on the calculated BED and subsequent EQD2. The Pd-103 decay constant (λ=0.0017 h{sup −1}) was also used. DVHs were prepared for pre- and post-surgical geometries to glean the possible and realized implant geometric configuration. DVHs prepared in VariSeed9 were converted to BEDVHs and subsequently EQD2 values for each volume-element. Results: For a physical dose of 28 Gy to a 0.5 cm depth, BED=21.7 Gy and EQD2=17.6 Gy, which was near the center of the desired EQD2 range. Tumor bed (CTV=4 cm{sup 3}) coverage was 99.2% with 48 sources implanted. In order of decreasing importance from the sensitivity analysis, the radiobiological parameters were α=0.25 Gy{sup −1}, T{sub POT}=23 days, α/β=8.6 Gy, and T=1.5 h. Percentage variations in these values produced EQD2 variations of 40%, 20%, 18%, and 1%, respectively. Conclusion: This radiobiological evaluation indicated that prescription dose may be determined for comparison with the desired EQD2, and that radiobiologicalparameter uncertainties produce smaller EQD2 differences than had physical dose been simply added to EBRT dose. Research support provided in part by CivaTech Oncology, Inc. for Dr. Rivard.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs

Precise placement of multiple functional groups in a highly ordered metal–organic framework (MOF) platform allows the tailoring of the pore environment, which is required for advanced applications. To realize this, we present a comprehensive study on the linker installation method, in which a stable MOF with coordinatively unsaturated Zr 6 clusters was employed and linkers bearing different functional groups were postsynthetically installed. Specifically, a Zr-MOF with inherent missing linker sites, namely, PCN-700, was initially constructed under kinetic control. Twelve linkers with different substituents were then designed to study their effect on MOF formation kinetics and therefore resulting MOF structures. Guided by the geometrical analysis, linkers with different lengths were installed into a parent PCN-700, giving rise to 11 new MOFs and each bearing up to three different functional groups in predefined positions. Systematic variation of the pore volume and decoration of pore environment were realized by linker installation, which resulted in synergistic effects including an enhancement of H2 adsorption capacities of up to 57%. In addition, a size-selective catalytic system for aerobic alcohol oxidation reaction is built in PCN-700 through linker installation, which shows high activity and tunable size selectivity. Altogether, these results exemplify the capability of the linker installation method in the pore environment engineering of stable MOFs with multiple functional groups, giving an unparalleled level of control.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Dynamic analysis of astronaut motions in microgravity: Applications for Extravehicular Activity (EVA)

Simulations of astronaut motions during extravehicular activity (EVA) tasks were performed using computational multibody dynamics methods. The application of computational dynamic simulation to EVA was prompted by the realization that physical microgravity simulators have inherent limitations: viscosity in neutral buoyancy tanks; friction in air bearing floors; short duration for parabolic aircraft; and inertia and friction in suspension mechanisms. These limitations can mask critical dynamic effects that later cause problems during actual EVA's performed in space. Methods of formulating dynamic equations of motion for multibody systems are discussed with emphasis on Kane's method, which forms the basis of the simulations presented herein. Formulation of the equations of motion for a two degree of freedom arm is presented as an explicit example. The four basic steps in creating the computational simulations were: system description, in which the geometry, mass properties, and interconnection of system bodies are input to the computer; equation formulation based on the system description; inverse kinematics, in which the angles, velocities, and accelerations of joints are calculated for prescribed motion of the endpoint (hand) of the arm; and inverse dynamics, in which joint torques are calculated for a prescribed motion. A graphical animation and data plotting program, EVADS (EVA Dynamics Simulation), was developed and used to analyze the results of the simulations that were performed on a Silicon Graphics Indigo2 computer. EVA tasks involving manipulation of the Spartan 204 free flying astronomy payload, as performed during Space Shuttle mission STS-63 (February 1995), served as the subject for two dynamic simulations. An EVA crewmember was modeled as a seven segment system with an eighth segment representing the massive payload attached to the hand. For both simulations, the initial configuration of the lower body (trunk, upper leg, and lower leg) was a neutral microgravity posture. In the first simulation, the payload was manipulated around a circular trajectory of 0.15 m radius in 10 seconds. It was found that the wrist joint theoretically exceeded its ulnal deviation limit by as much as 49. 8 deg and was required to exert torques as high as 26 N-m to accomplish the task, well in excess of the wrist physiological limit of 12 N-m. The largest torque in the first simulation, 52 N-m, occurred in the ankle joint. To avoid these problems, the second simulation placed the arm in a more comfortable initial position and the radius and speed of the circular trajectory were reduced by half. As a result, the joint angles and torques were reduced to values well within their physiological limits. In particular, the maximum wrist torque for the second simulation was only 3 N-m and the maximum ankle torque was only 6 N-m.

Newman, Dava J.↗
NASA NTRS2011

Experiences with Text Mining Large Collections of Unstructured Systems Development Artifacts at JPL

Often repositories of systems engineering artifacts at NASA's Jet Propulsion Laboratory (JPL) are so large and poorly structured that they have outgrown our capability to effectively manually process their contents to extract useful information. Sophisticated text mining methods and tools seem a quick, low-effort approach to automating our limited manual efforts. Our experiences of exploring such methods mainly in three areas including historical risk analysis, defect identification based on requirements analysis, and over-time analysis of system anomalies at JPL, have shown that obtaining useful results requires substantial unanticipated efforts - from preprocessing the data to transforming the output for practical applications. We have not observed any quick 'wins' or realized benefit from short-term effort avoidance through automation in this area. Surprisingly we have realized a number of unexpected long-term benefits from the process of applying text mining to our repositories. This paper elaborates some of these benefits and our important lessons learned from the process of preparing and applying text mining to large unstructured system artifacts at JPL aiming to benefit future TM applications in similar problem domains and also in hope for being extended to broader areas of applications.

text mining↗
DOE OSTI2018

Analysis of MTDC Inertia Emulation Impact on Connected AC Systems

The frequency decoupling effect of the voltage source converter (VSC)-based high voltage dc (HVDC) transmission makes frequency support unavailable between two ac subsystems interconnected by the HVDC link. Recently, several algorithms have been proposed and demonstrated to improve the ac system stability by implementing inertia emulation (IE) functions in the HVDC VSC stations. However, the capability of the VSC-HVDC to achieve the IE control is not clear. According to the previous research, the IE control strategy has been studied without concerning the impact of the practical control process, which will introduce some time delay into the IE realization. In this paper, a detailed multi-terminal HVDC VSC control module, including the phase-locked loop (PLL) and low pass filter (LPF), is considered in order to analyze the multi-terminal HVDC network impact on the IE performance. The analysis indicates that the frequency performance of the ac network with IE integrated HVDC transmission can be nearly as good as that directly connected with the ac subsystem which involves a high penetration of conventional generation units, except for the short time delay introduced by the VSC control modules. The effectiveness of IE performance will be compromised if the response delay is significant. The simulation results have verified the analysis.

Wang, Shuyao↗
DOE OSTI2018

Nonlocal Analysis of Natural Vibrations of Carbon Nanotubes

When the atomic level is considered, the dynamic properties have a major influence on nanostructures behavior because of their ultrahigh or very high natural frequencies. Vibrations are essential in the analysis of resonators, oscillators, and sensors for carbon nanotube-based devices. The present paper is dedicated to the eigenfrequencies analysis of single-walled carbon nanotubes. In the analysis, the small-scale coefficient is introduced, and the nonlocal elasticity theory is applied in the modal analysis of the carbon nanotubes. The correlation between nonlocal small-scale parameter and the vibrational behavior of the carbon nanotubes is studied. The determination of nonlocal parameter is based on the structural finite element model of the nanotube. A detailed parametric study is realized to investigate the effects of the length-to-diameter ratio L/D, nonlocal coefficient, the influence of boundary conditions on eigenfrequencies of carbon nanotubes. The main contribution of this work is the evaluation of the nonlocal parameter for single-walled carbon nanotubes based on the finite element approximation in modeling the dynamic behavior instead of commonly used MD simulations. It was clearly displayed that the application of the nonlocal beam models involves analysis of the small-scale parameter, whose value determines the final eigenfrequencies. The highest values of eigenfrequencies were observed for the local beam model. It was presented that the eigenfrequencies for carbon nanotubes decrease when the nanotube length increases for all analyzed modes. On the other hand, when the diameter of carbon nanotubes increases, the eigenfrequency values rise. The numerical validation of the nonlocal parameter revealed the high dependence on the boundary conditions and the mode number. However, the influence of the mode number and the boundary conditions is vanishing for long single-walled carbon nanotubes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A performance analysis of ensemble averaging for high fidelity turbulence simulations at the strong scaling limit

We analyze the potential performance benefits of estimating expected quantities in large eddy simulations of turbulent flows using true ensembles rather than ergodic time averaging. Multiple realizations of the same flow are simulated in parallel, using slightly perturbed initial conditions to create unique instantaneous evolutions of the flow field. Each realization is then used to calculate statistical quantities. Provided each instance is sufficiently de-correlated, this approach potentially allows considerable reduction in the time to solution beyond the strong scaling limit for a given accuracy. This study focuses on the theory and implementation of the methodology in Nek5000, a massively parallel open-source spectral element code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Design of Zn Chalcogenide Shells for Emissive Ga-Rich In 1– X Ga X As Quantum Dots Synthesized in Molten Salts

Colloidal quantum dots (QDs) have seen expanded applications in optoelectronics from visible to near-infrared (NIR) wavelengths. However, the options for QDs with bright and size-tunable emission in the NIR region are mostly limited to heavy-metal-based (Pb, Cd, Hg) semiconductors. Here, Ga-rich In 1–X Ga X As QDs with zinc chalcogenide shells are demonstrated as candidates for NIR emitters. Based on new developments in inorganic molten salt chemistry, we synthesized colloidal In 1–X Ga X As QDs containing up to 85% gallium with high crystallinity based on Raman and XRD analyses. Zinc selenide and sulfide shells with different morphologies were grown on In 1–X Ga X As QDs by controlling the Zn precursor chemistry. Despite the nominally reduced lattice mismatch in the In 1–X Ga X As/ZnSe heterostructure, a ZnS shell was found to be a much more effective passivation material: In 1–X Ga X As/ZnS core–shell QDs show a photoluminescence quantum yield (PL QY) of about 30% versus 11% for ZnSe shells. In conclusion, based on the analysis of PL decay and transient absorption (TA) dynamics, we surmise that electron trapping is the major reason for efficiency loss, providing a clear heterostructure design principle for realizing efficient NIR-emitting In 1–X Ga X As QDs.

Electron trapping↗
DOE OSTI2014

Proposal of high efficiency solar cells with closely stacked InAs/In{sub 0.48}Ga{sub 0.52}P quantum dot superlattices: Analysis of polarized absorption characteristics via intermediate–band

We present a theoretical study of the electronic structures and polarized absorption properties of quantum dot superlattices (QDSLs) using wide–gap matrix material, InAs/In{sub 0.48}Ga{sub 0.52}P QDSLs, for realizing intermediate–band solar cells (IBSCs) with two–step photon–absorption. The plane–wave expanded Burt–Foreman operator ordered 8–band k·p theory is used for this calculation, where strain effect and piezoelectric effect are taken into account. We find that the absorption spectra of the second transitions of two–step photon–absorption can be shifted to higher energy region by using In{sub 0.48}Ga{sub 0.52}P, which is lattice–matched material to GaAs substrate, as a matrix material instead of GaAs. We also find that the transverse magnetic polarized absorption spectra in InAs/In{sub 0.48}Ga{sub 0.52}P QDSL with a separate IB from the rest of the conduction minibands can be shifted to higher energy region by decreasing the QD height. As a result, the second transitions of two–step photon–absorption by the sunlight occur efficiently. These results indicate that InAs/In{sub 0.48}Ga{sub 0.52}P QDSLs are suitable material combination of IBSCs toward the realization of ultrahigh efficiency solar cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Experimental study on magnetically insulated transmission line electrode surface evolution process under MA/cm current density

The design of high-current density magnetically insulated transmission line (MITL) is a difficult problem of current large-scale Z-pinch device. In particular, a thorough understanding of the MITL electrode surface evolution process under high current density is lacking. On the “QiangGuang-I” accelerator, the load area possesses a low inductance short-circuit structure with a diameter of 2.85 mm at the cathode, and three reflux columns with a diameter of 3 mm and uniformly distributed circumference at the anode. The length of the high density MITL area is 20 mm. A laser interferometer is used to assess and analyze the state of the MITL cathode and anode gap, and their evolution process under high current density. Experimental results indicate that evident current loss is not observed in the current density area at pulse leading edge, and peak when the surface current density reaches MA/cm. Analysis on electrode surface working conditions indicates that when the current leading edge is at 71.5% of the peak, the total evaporation of MITL cathode structure can be realized by energy deposition caused by ohmic heating. The electrode state changes, and diffusion conditions are reflected in the laser interferometer image. The MITL cathode area mainly exists in metal vapor form. The metal vapor density in the cathode central region is higher than the upper limit of laser penetration density (∼4 × 10{sup 21}/cm{sup 3}), with an expansion velocity of ∼0.96 km/s. The metal vapor density in the electrode outer area may lead to evident distortion of fringes, and its expansion velocity is faster than that in the center area (1.53 km/s).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗