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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 73 records · Page 4

Ab initio Screening of Refractory Nitrides and Carbides for High Temperature Hydrogen Permeation Barriers

Density functional theory was used to screen eleven refractory materials – two pure metals, six nitrides, and three carbides–as high-temperature hydrogen permeation barriers to prevent hydrogen embrittlement. Activation energies were calculated for atomic hydrogen (H) diffusion into the first subsurface layer from the lowest energy surface of the high-temperature phase of each candidate material. The candidate barrier materials with the highest activation energies are h-BN, c-BN, HfN, and ZrN with predicted barriers of 3.25 eV, 3.23 eV, 3.14 eV, and 2.76 eV, respectively. Strain energies, Bader charges, and density of states were calculated for the diffusing H at the relaxed initial state and the transition state to provide insight into contributing factors to high energy barriers. The diffusing H atom in materials with the highest predicted barriers are protic. In addition, interstitial H atoms induce mid-gap states in the density of states of both BN polymorphs. The nitrogen retention of each nitride material at high temperatures was predicted using nitrogen vacancy formation energies with respect to gaseous nitrogen. Experimental evaluation of nitrogen retention in h-BN, ZrN, and TiN confirmed their resistance to nitrogen loss at 1773 K. However, of these nitrides, TiN is predicted to be the least stable. This work identifies multiple promising materials that are predicted to be effective hydrogen barriers at high temperatures and that are stable at temperatures above 2700 K, with BN predicted to perform best.

Density Functional Theory (DFT)

CLIPS interface development tools and their application

A package of C-based PC user interface development functions has been developed and integrated into CLIPS. The primary function is ASK which provides a means to ask the user questions via multiple choice menus or the keyboard and then returns the user response to CLIPS. A parameter-like structure supplies information for the interface. Another function, SHOW, provides a means to paginate and display text. A third function, TITLE, formats and displays title screens. A similar set of C-based functions that are more general and thus will run on UNIX and machines have also been developed. Seven expert system applications were transformed from commercial development environments into CLIPS and utilize ASK, SHOW, and TITLE. Development of numerous new expert system applications using CLIPS and these interface functions has started. These functions greatly reduce the time required to build interfaces for CLIPS applications.

Engel, Bernard A.

Analysis of Suomi - NPP VIIRS Vignetting Functions Based on Yaw Maneuver Data

The Suomi NPP Visible Infrared Imager Radiometer Suite (VIIRS) reflective bands are calibrated on-orbit via reference to regular solar observations through a solar attenuation screen (SAS) and diffusely reflected off a Spectralon (Registered Trademark) panel. The degradation of the Spectralon panel BRDF due to UV exposure is tracked via a ratioing radiometer (SDSM) which compares near simultaneous observations of the panel with direct observations of the sun (through a separate attenuation screen). On-orbit, the vignetting functions of both attenuation screens are most easily measured when the satellite performs a series of yaw maneuvers over a short period of time (thereby covering the yearly angular variation of solar observations in a couple of days). Because the SAS is fixed, only the product of the screen transmission and the panel BRDF was measured. Moreover, this product was measured by both VIIRS detectors as well as the SDSM detectors (albeit at different reflectance angles off the Spectralon panel). The SDSM screen is also fixed; in this case, the screen transmission was measured directly. Corrections for instrument drift and degradation, solar geometry, and spectral effects were taken into consideration. The resulting vignetting functions were then compared to the pre-launch measurements as well as models based on screen geometry.

Xiong, Xiaoxiong

Preliminary design of graphite composite wing panels for commercial transport aircraft

Subjectively assessed practical and producible graphite/epoxy designs were subjected to a multilevel screening procedure which considered structural functions, efficiency, manufacturing and producibility, costs, maintainability, and inspectability. As each progressive screening level was reviewed, more definitive information on the structural efficiency (weight), manufacturing, and inspection procedures was established to support the design selection. The configuration features that enhance producibility of the final selected design can be used as a generic base for application to other wing panel designs. The selected panel design showed a weight saving of 25 percent over a conventional aluminum design meeting the same design requirements. The estimated cost reduction in manufacturing was 20 percent, based on 200 aircraft and projected 1985 automated composites manufacturing capability. The panel design background information developed will be used in the follow-on tasks to ensure that future panel development represents practical and producible design approaches to graphite/epoxy wing surface panels.

Byers, B. A.

A model for the acoustic impedance of linear suppressor materials bonded on perforated plate

An analytical model is developed for the acoustic impedance of a composite made of a fine screen bonded to a perforated plate, the resistance having been modeled using steady flow theory and data, and including both linear and nonlinear components. The model of the screen resistance alone is derived first, and it is then extended to include a perforated plate bonded to the screen. Quantities such as effective open ratio and pressure recovery are evaluated. Conclusions are presented, including: (1) when the screen is bonded to a perforated plate, the linear resistance increases as the inverse of the perforate open area, (2) the nonlinearity in the screen resistance depends on the square of the screen wire diameter, and (3) when the resistance is considered as a function of approach velocity, the screen nonlinear term increases as the inverse of the square of the perforated plate open area ratio. The general theory can be applied to any screen structure, but final results are limited to a twilled square weave screen. Results can be applied to the study of sound absorbing materials used for lining the walls of aircraft engine duct suppressors.

Rice, E. J.

Chiral catalysis of nuclear fusion in molecules

At low energies, nuclear fusion is strongly affected by electron screening of the Coulomb repulsion among the fusing nuclei. It may thus be possible to catalyze nuclear fusion in molecules (i.e., to fuse specific nuclei in situ) through quantum control of electron wave functions in intense laser fields. The circularly polarized (chiral) laser field can effectively squeeze the electron wave functions, greatly enhancing the screening in the spatial region relevant for the fusion process. Here, we estimate the corresponding fusion probabilities, and find that the proposed chiral catalysis of nuclear fusion in molecules may be observable, potentially with important practical applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Effect of Vibration on Retention Characteristics of Screen Acquisition Systems

An analytical and experimental investigation of the effect of vibration on the retention characteristics of screen acquisition systems was performed. The functioning of surface tension devices using fine-mesh screens requires that the pressure differential acting on the screen be less than its pressure retention capability. When exceeded, screen breakdown will occur and gas-free expulsion of propellant will no longer be possible. An analytical approach to predicting the effect of vibration was developed. This approach considers the transmission of the vibration to the screens of the device and the coupling of the liquid and the screen in establishing the screen response. A method of evaluating the transient response of the gas/liquid interface within the screen was also developed.

Tegart, J. R.

High-throughput validation of phase formability and simulation accuracy of Cantor alloys

High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density Functional Theory (DFT) and calculation of phase diagrams (CALPHAD), facilitate screening of phase formability as a function of composition and temperature. However, the integration of computational predictions with experimental validation remains challenging in high-throughput studies. In this work, we introduce a quantitative confidence metric to assess the agreement between predictions and experimental observations, providing a quantitative measure of the confidence of machine learning models trained on either DFT or CALPHAD input in accounting for experimental evidence. The experimental dataset was generated via high-throughput in-situ synchrotron X-ray diffraction on compositionally varied FeNiMnCr alloy libraries, heated from room temperature to ~1000 °C. Agreement between the observed and predicted phases was evaluated using either temperature-independent phase classification or a model that incorporates a temperature-dependent probability of phase formation. This integrated approach demonstrates where strong overall agreement between computation and experiment exists, while also identifying key discrepancies, particularly in FCC/BCC predictions at Mn-rich regions to inform future model refinement.

36 - MATERIALS SCIENCE

Evaluation of accuracy and resolution of the electron beam profile scanner at the Fermilab Main Injector

The objective of this work is to assess the accuracy of measurements made by the Electron Beam Profile Scanner (EBPS), which captures the trajectory of an electron beam with and without a proton beam present. The proton beam induces deflection in the electron beam, which is influenced by proton charges.For high-resolution images, the probe beam needs to be of high intensity, small diameter, and small divergence, evaluated using a YAG screen and an optical transition radiation (OTR) screen. Additionally, the point spread function (PSF) will be calculated to characterize the optical system's properties using ZEMAX software. The capabilities of the Hamamatsu Charge-Injection Device (CID) camera and Kimball Physics electron gun (e-gun) will be considered for accuracy.

Mwaniki, Matilda [IIT, Chicago; Fermilab]

Longitudinal Surveillance for Chronic Health Conditions in Former United States Department of Energy Site Workers

The aim of the study was to determine (1) the rate at which rescreening former Department of Energy site workers identifies noncommunicable chronic diseases and (2) the development of comorbid conditions. Incidence and prevalence of hypertension, diabetes, reduced kidney function, and peripheral neuropathy at both initial and return screenings were calculated. Risk ratio of chronic disease development at return screening based on the presence of other conditions at initial screening were estimated with generalized linear regression. Prevalence of reduced kidney function was 19% at initial examination and 30% at return examination. The screening program was responsible for identifying 81% of reduced kidney function cases. Similar findings were present for the other chronic conditions examined. As a result, former worker health surveillance programs help identify significant health conditions among DOE workers, subcontractors, and visitors. Longitudinal screening of participants detects additional chronic conditions.

59 BASIC BIOLOGICAL SCIENCES

Toward High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules

Efficient energy storage systems are crucial to address the intermittency of renewable energy sources. As multivalent batteries, Zn-ion batteries (ZIBs), while inherently low voltage, offer a promising low-cost alternative to Li-ion batteries due to the viable use of zinc as the anode. However, to maximize the potential impact of ZIBs, rechargeable cathodes with improved Zn diffusion are needed. To better understand the chemical and structural factors influencing Zn-ion mobility within battery electrode materials, we employ a high-throughput computational screening approach to systematically evaluate candidate intercalation hosts for ZIB cathodes, expanding the chemical search space on empty intercalation hosts that do not contain Zn. We leverage a high-throughput screening funnel to identify promising cathodes in ZIBs, integrating screening criteria with density functional theory (DFT)-based calculations of Zn2+ intercalation and diffusion inside the host materials. Using these data, we identify the design principles that favor Zn-ion mobility in candidate cathode materials. Building on previous work on divalent-ion cathodes, this study broadens the chemical space for next-generation multivalent energy storage systems.

electrodes

Crystal nucleation rates in one-component Yukawa systems

Nucleation in the supercooled Yukawa system is relevant for addressing current challenges in understanding a range of crystallizing systems including white dwarf (WD) stars. We use both brute force and seeded molecular dynamics simulations to study homogeneous nucleation of crystals from supercooled Yukawa liquids. With our improved approach to seeded simulations, we obtain quantitative predictions of the crystal nucleation rate and cluster size distributions as a function of temperature and screening length. These quantitative results show trends towards fast nucleation with short-ranged potentials. They also indicate that for temperatures T > 0.9⁢T m , where T m is the melt temperature, classical homogeneous nucleation is too slow to initiate crystallization but transient clusters of ~100 particles should be common. As a result, we apply these general results to a typical WD model and obtain a delay of ~0.6 Gyr in the onset of crystallization that may be observable.

36 MATERIALS SCIENCE

Mission definition study for Stanford relativity satellite. Volume 3: Appendices

An analysis is presented for the cost of the mission as a function of the following variables: amount of redundancy in the spacecraft, amount of care taken in building the spacecraft (functional and environmental tests, screening of components, quality control, etc), and the number of flights necessary to accomplish the mission. Thermal analysis and mathematical models for the experimental components are presented. The results of computer structural and stress analyses for support and cylinders are discussed. Reliability, quality control, and control system simulation by computer are also considered.

Source record

Evaluation of turbulence induced noise in coherent anti-Stokes Raman scattering

The effect of turbulence in a transonic wind tunnel on coherent anti-Stokes Raman scattering is considered. The driving pump and Stokes waves are taken to be coaxially propagating Gaussian beam waves which are focused on the Raman active medium through the turbulent boundary layer of the flow tube. The random index of refraction variations in the layer are modeled as phase perturbations of the driving waves which cause a reduction of the mean on-axis field and an increase in the mean diameter of the beams. Effective Gaussian beam parameters are developed and the radiated anti-Stokes power calculated as a function of the phase screen parameters. A significant reduction in signal strength occurs for realistic estimates of the phase screen parameter appropriate to a confined transonic flow. A method for estimating the signal degradation which could be applied to other experimental situations is presented.

Elliott, R. A.

Using Tests Designed to Measure Individual Sensorimotor Subsystem Perfomance to Predict Locomotor Adaptability

Astronauts experience sensorimotor disturbances during the initial exposure to microgravity and during the readapation phase following a return to a gravitational environment. These alterations may lead to disruption in the ability to perform mission critical functions during and after these gravitational transitions. Astronauts show significant inter-subject variation in adaptive capability following gravitational transitions. The way each individual's brain synthesizes the available visual, vestibular and somatosensory information is likely the basis for much of the variation. Identifying the presence of biases in each person's use of information available from these sensorimotor subsystems and relating it to their ability to adapt to a novel locomotor task will allow us to customize a training program designed to enhance sensorimotor adaptability. Eight tests are being used to measure sensorimotor subsystem performance. Three of these use measures of body sway to characterize balance during varying sensorimotor challenges. The effect of vision is assessed by repeating conditions with eyes open and eyes closed. Standing on foam, or on a support surface that pitches to maintain a constant ankle angle provide somatosensory challenges. Information from the vestibular system is isolated when vision is removed and the support surface is compromised, and it is challenged when the tasks are done while the head is in motion. The integration and dominance of visual information is assessed in three additional tests. The Rod & Frame Test measures the degree to which a subject's perception of the visual vertical is affected by the orientation of a tilted frame in the periphery. Locomotor visual dependence is determined by assessing how much an oscillating virtual visual world affects a treadmill-walking subject. In the third of the visual manipulation tests, subjects walk an obstacle course while wearing up-down reversing prisms. The two remaining tests include direct measures of knee and ankle proprioception and a functional movement assessment that screens for movement restrictions and asymmetries. To assess each subject's locomotor adaptability subjects walk for twenty minutes on a treadmill that oscillates laterally at 0.3 Hz. Throughout the test metabolic cost provides a measure of exertion and step frequency provides a measure of stability. Additionally, at four points during the perturbation period, reaction time tests are used to probe changes in the amount of mental effort being used to perform the task. As with the adaptive capability observed in astronauts during gravitational transitions, our data shows significant variability between subjects. To aid in the analysis of the results, custom software tools have been developed to enhance in the visualization of the large number of output variables. Preliminary analyses of the data collected to date do not show a strong relationship between adaptability and any single predictor variable. Analysis continues to identify a multifactorial predictor outcome "signature" that do inform us of locomotor adaptability.

Peters, B. T.

Turbulent scattering in an exponential atmosphere - A wave-optical solution

The thin-screen model for scattering of radiation by a turbulent atmosphere is generalized to the case where the mean phase change decreases exponentially as a function of distance across the screen. This is of interest because it models the effect of turbulent scattering in an isothermal average atmosphere. We present both the change in average intensity and average bending angle in terms of the r-m-s scattering angle introduced by the turbulence. We find, for example, that the effect of turbulent scattering on the mean scattering angle (and hence Doppler residuals) is approximately the same as that obtained from more heuristic calculations. The effect depends on wavelength only to the extent that the refractivity is a function of wavelength.

Hubbard, W. B.