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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Dynamical Evolution of Asteroids and Meteoroids Using the Yarkovsky Effect

The Yarkovsky effect is a thermal radiation force which causes objects to undergo semimajor axis drift and spin up/down as a function of their spin, orbit, and material properties. This mechanism can be used to (i) deliver asteroids (and meteoroids) with diameter D < 20 km from their parent bodies in the main belt to chaotic resonance zones capable of transporting this material to Earth-crossing orbits, (ii) disperse asteroid families, with drifting bodies jumping or becoming trapped in mean-motion and secular resonances within the main belt, and (iii) modify the rotation rates of asteroids a few km in diameter or smaller enough to explain the excessive number of very fast and very slow rotators among the small asteroids. Accordingly, we suggest that nongravitational forces, which produce small but meaningful effects on asteroid orbits and rotation rates over long timescales, should now be considered as important as collisions and gravitational perturbations to our overall understanding of asteroid evolution.

Bottke, William F., Jr.↗
NASA NTRSDate not supplied

Advancing Metasurfaces Towards New Frontiers: Nonvolatile Reconfigurable Optics

The applications of adaptive optics extend across multiple sectors, encompassing areas such as LiDAR, biological and chemical sensing, and free-space communications. In this study, we report on the design, fabrication, testing, and modeling of electrically reconfigurable metasurfaces using a low-loss high contrast phase change material, Ge2Sb2Se4Te integrated with an IR-transparent silicon microheater. Through this work, we introduce a reliable architecture for switching PCM-based metasurfaces within an integrated circuit configuration which is compatible with standard foundry fabrication processes. We demonstrate the capability of controlling the transmission of electromagnetic waves through the precise stimulation of PCM-based pixels, each spanning a few hundred microns, over numerous cycles. By leveraging PCM-based pixels, we unlock the potential to create metasurfaces encompassing a diverse range of functionalities such as dielectric filters, metalens, or beam steering devices, which is governed by the design of the meta-atoms. Further, we perform an in-depth investigation into the failure mechanism utilizing techniques such as Fourier transform IR spectroscopy (FTIR), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), and thermal modeling. According to our results, due to a sharp temperature rise at the PCM/heater interface, we observe severe delamination of the PCM from the heater. More uniform PCM deposition, better adhesion at the PCM/heater interface, and a more uniform temperature distribution in the device could potentially mitigate the failure and lead to a longer life-time. By addressing these challenges, we aim to unlock the full potential of PCM-based devices and advance the field of adaptive optics.

Phase change material↗
DOE OSTI2025

Absence of Long-Range Magnetic Ordering in a Trirutile High-Entropy Oxide (Mn 0.2 Fe 0.2 Co 0.2 Ni 0.2 Cu 0.2 )Ta 1.92 O 6–δ

Functionalities of solid-state materials are usually considered to be dependent on their crystal structures. The limited structural types observed in the emerging high-entropy oxides put constraints on the exploration of their physical properties and potential applications. Herein, we synthesized the first high-entropy oxide in a trirutile structure, (Mn 0.2 Fe 0.2 Co 0.2 Ni 0.2 Cu 0.2 )Ta 1.92 O 6–δ , and investigated its magnetism. The phase purity and high-entropy nature were confirmed by powder Xray diffraction and energy-dispersive spectroscopy, respectively. X-ray photoelectron spectroscopy indicated divalent Mn, Co, Ni, and Cu along with trivalent Fe. Magnetic property measurements showed antiferromagnetic coupling and potential short-range magnetic ordering below ~4 K. The temperature-dependent heat capacity data measured under zero and high magnetic fields confirmed the lack of long-range magnetic ordering and a possible low-temperature phonon excitation. The discovery of the first trirutile high-entropy oxide opens a new pathway for studying the relationship between the highly disordered atomic arrangement and magnetic interaction. Furthermore, it provides a new direction for exploring the functionalities of highentropy oxides.

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

The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems

The effective fragment molecular orbital (EFMO) method has been developed to predict the total energy of a very large molecular system accurately (with respect to the underlying quantum mechanical method) and efficiently by taking advantage of the locality of strong chemical interactions and employing a two-level hierarchical parallelism. The accuracy of the EFMO method is partly attributed to the accurate and robust intermolecular interaction prediction between distant fragments, in particular, the many-body polarization and dispersion effects, which require the generation of static and dynamic polarizability tensors by solving the coupled perturbed Hartree–Fock (CPHF) and time-dependent HF (TDHF) equations, respectively. Solving the CPHF and TDHF equations is the main EFMO computational bottleneck due to the inefficient (serial) and I/O-intensive implementation of the CPHF and TDHF solvers. In this work, the efficiency and scalability of the EFMO method are significantly improved with a new CPU memory-based implementation for solving the CPHF and TDHF equations that are parallelized by either message passing interface (MPI) or hybrid MPI/OpenMP. Here, the accuracy of the EFMO method is demonstrated for both covalently bonded systems and noncovalently bound molecular clusters by systematically examining the effects of basis sets and a key distance-related cutoff parameter, R cut . R cut determines whether a fragment pair (dimer) is treated by the chosen ab initio method or calculated using the effective fragment potential (EFP) method (separated dimers). Decreasing the value of Rcut increases the number of separated (EFP) dimers, thereby decreasing the computational effort. It is demonstrated that excellent accuracy (<1 kcal/mol error per fragment) can be achieved when using a sufficiently large basis set with diffuse functions coupled with a small R cut value. With the new parallel implementation, the total EFMO wall time is substantially reduced, especially with a high number of MPI ranks. Given a sufficient workload, nearly ideal strong scaling is achieved for the CPHF and TDHF parts of the calculation. For the first time, EFMO calculations with the inclusion of long-range polarization and dispersion interactions on a hydrated mesoporous silica nanoparticle with explicit water solvent molecules (more than 15k atoms) are achieved on a massively parallel supercomputer using nearly 1000 physical nodes. In addition, EFMO calculations on the carbinolamine formation step of an amine-catalyzed aldol reaction at the nanoscale with explicit solvent effects are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Mechanistic transition of stainless steel 304L corrosion in MgCl 2 phase change material under thermal cycling

Magnesium chloride (MgCl 2 )-based molten salt phase change materials (PCMs) are promising candidates for thermal energy storage (TES) owing to their advantageous thermophysical properties, however, their high corrosivity in the molten state limits material compatibility. In this study, the corrosion behavior of 304?L stainless steel (SS304L) exposed to MgCl2 PCM was investigated as a function of thermal cycling (up to 9000 cycles) relevant to PCM-based TES systems. Microstructural changes and elemental redistribution at the alloy-salt interface under thermal cycling conditions were characterized using synchrotron-based X-ray fluorescence (XRF) and scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDS). Results show that corrosion is governed by selective Cr-dissolution and elemental diffusion near the interface and grain boundaries. A clear transition in the dominant corrosion mechanism is observed with increasing thermal cycles. Surface corrosion is the dominant mechanism up to 1000 cycles, whereas intergranular corrosion becomes the primary degradation mode beyond 2000 cycles. These mechanistic changes are interpreted in terms of evolving interfacial chemistry, microstructure and the diffusion-driven redistribution of alloying elements.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Seasonal Patterns in Mobile Colistin Resistance Gene Variants in Wastewater Bioaerosols and Liquid Sludge

To address the growing threat of global antimicrobial resistance, a one-health approach is needed to understand the complex socioecological cycling of antibiotic resistance genes. In this study, a metagenomics approach using DNA shotgun sequencing, metagenome assembly, and antibiotic resistance gene (ARG) annotation was used to examine seasonal patterns in the abundance of mobile colistin resistance (mcr) gene variants in bioaerosols and liquid sludge in three wastewater treatment plants (WWTPs). ARGs represented 0.2–0.8 and 0.1–0.2% of the bioaerosol and liquid sludge metagenomes, respectively, while mcr genes represented 0–0.3 and 0–0.5% of the identified ARGs in bioaerosol and liquid sludge metagenomes. Seven of the ten known mcr variants were detected in wastewater bioaerosol and liquid samples, with mcr-5 and mcr-8 being the most prevalent across all seasons and sites. Furthermore, additional functional and taxonomic annotation of mcr-containing metagenomic contigs showed that mcr genes were often located on contigs with other co-occurring ARGs and mobile genetic elements and may be harbored by opportunistic human pathogens and other bacterial taxa not previously associated with mcr genes. Atmospheric dispersion modeling showed that mcr-containing bioaerosols can be transported kilometers away from the WWTPs, resulting in the possible dissemination of these ARGs into surrounding environments and communities.

Antimicrobial agents↗
DOE OSTI2022

Feature Extraction for Pipeline Defects Inspection Based Upon Distributed Acoustic Fiber Optic Sensing Data

Fiber-optic distributed acoustic sensing (DAS) is becoming an increasingly important tool for real-time monitoring of energy and civil infrastructure structural health such as pipelines. We present a systematic theoretical study of the potential for DAS to be directly coupled with guided ultrasonic waves typically used in conventional acoustic non-destructive evaluation (NDE) methods for real-time pipeline health monitoring. We are referring to this innovative new NDE technique as ultrasonic guided wave and optical fiber sensor fusion. In the practical application of DAS coupled with guided ultrasonic waves, the structural design of (1) the specific guided waves excited, (2) the physical installation of the acoustic transducers and the fiber optic sensors, and (3) the functional performance specifications (gauge length, sensitivity, Etc.) of fiber optic DAS have an important influence on overall capabilities of the monitoring system. Meanwhile, physics-based analysis of acoustic waves is still a challenge due to the complex nature of the Lamb wave when it propagates, scatters, and disperses in the presence of structural defects. In this work, we simulate carbon steel pipes relevant for oil and gas pipeline applications with diameters of approximately 6-12” and wall thickness of 0.5” as the objects to be monitored. By establishing and implementing these capabilities, we seek to pursue an in-depth study on structural parameter optimization of DAS network, measurement range, and signal processing with an ultimate goal of increasing the sensitivity and efficacy of DAS to defect identification for various modes of corrosion expected in practice. To study the characteristics of scattered acoustic waves and performance of DAS for defect identification, we simulated the response of DAS for multiple pipe structures, defect types, and DAS sensor network configuration using finite element software Ansys, then the properties of signal response are extracted to construct defect-sensitive features. The raw data simulated, and the associated features extracted can ultimately be utilized as annotated training data to benchmark various designs for DAS applications, guided acoustic excitation sources, and learning model parameters to enhance early detection of potentially problematic defects.

Pipeline Defects Inspection, Fiber-optic sensors, ↗
DOE OSTI2023

Enhancement of second-order optical nonlinearities and nanoscale periodic domain patterning in ferroelectric boron-substituted aluminum nitride thin films

The discovery and development of CMOS-compatible, nonlinear optical materials is essential to produce integrated photonic devices with advanced functionalities. AlN is a strong candidate for on-chip device demonstration due to its intrinsic second-order optical nonlinearities, large bandgap, and well-established fabrication techniques. However, AlN is not easily phase matched for the largest coefficient d 33 ; the coefficients that could potentially be dispersion phase-matched, d 31 and d 15 , have weak nonlinearities. This work investigates ferroelectric Al 1-x B x N (x = 0 to 0.11) for viability as a large bandgap nonlinear optical material with unique suitability towards ultraviolet light generation using second harmonic generation. The linear and nonlinear optical properties are characterized accounting for material anisotropy. With increasing B concentration, a large enhancement from near negligible values to d 31 = 0.9 ± 0.1 pm/V and d 15 = 1.2 ± 0.1 pm/V is observed. This compares favorably to other large bandgap materials like β-Ba(BO 2 ) 2 , where the largest nonlinear coefficient is d 22 ~ 2.3 pm/V at 800 nm. This is accompanied by a change in the bandgap from 6.1 eV to 5.8 eV as B substitution goes from 0 to 11%. A periodically poled, quasi-phase-matched ferroelectric domain pattern with 400 nm domain size and a wall roughness of <16 nm is demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2020

AniMACCS User Guide

AniMACCS is a utility code in the MELCOR Accident Consequence Code System (MACCS) software suite that allows for certain MACCS output information to be visually displayed and overlaid onto a geospatial map background. AniMACCS was developed by Sandia National Laboratories for the U.S. Nuclear Regulatory Commission. MACCS is designed to calculate health and economic consequences following a release of radioactive material in the atmosphere. MACCS accomplishes this by modeling the atmospheric dispersion, deposition, and consequences of the release, which depend on several factors including the source term, weather, population, economic, and land-use characteristics of the impacted geographical area. From these inputs, MACCS determines the characteristics of the plume, as well as ground and air concentrations as a function of time and radionuclide.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
NASA NTRS1988

Growth of electron plasma waves above and below f(p) in the electron foreshock

This paper investigates the conditions required for electron beams to drive wave growth significantly above and below the electron plasma frequency, f(p), by numerically solving the linear dispersion equation. It is shown that kinetic growth well below f(p) may occur over a broad range of frequencies due to the beam instability, when the electron beam is slow, dilute, and relatively cold. Alternatively, a cold or sharp feature at low parallel velocities in the distribution function may drive kinetic growth significantly below f(p). Kinetic broadband growth significantly above f(p) is explained in terms of faster warmer beams. A unified qualitative theory for the narrow-band and broad-band waves is proposed.

Cairns, Iver H.↗
NASA NTRS1993

A new method for the identification of non-Gaussian line profiles in elliptical galaxies

A new parameterization for the line profiles of elliptical galaxies, the Gauss-Hermite series, is proposed. This approach expands the line profile as a sum of orthogonal functions which minimizes the correlations between the errors in the parameters of the fit. This method also make use of the fact that Gaussians provide good low-order fits to observed line profiles. The method yields measurements of the line strength, mean radial velocity, and the velocity dispersion as well as two extra parameters, h3 and h4, that measure asymmetric and symmetric deviations of the line profiles from a Gaussian, respectively. The new method was used to derive profiles for three elliptical galaxies which all have asymmetric line profiles on the major axis with symmetric deviations from a Gaussian. Results confirm that elliptical galaxies have complex structures due to their complex formation history.

Van Der Marel, Roeland P.↗
NASA NTRS1993

Angular momentum regulation in low-mass young stars surrounded by accretion disks

From study of a sample of 34 T Tauri stars with photometrically derived rotation periods and spectral types later than KS, we find that the observed periods appear to be related to the presence or absence of an accretion disk. Those stars which we infer to be surrounded by accretion disks have rotation periods P(rot) over 4 days with a most probable P(rot) of about 8.5 days, while those stars which lack accretion disk signatures cover a wide range of P(rot) from 1.5 to 16 days, including a significant number of objects with P(rot) less than 4 days. This suggests the possibility that the 'initial' angular momentum of a star is not established until it dissipates its circumstellar accretion disk. During the disk accretion phase, the stellar angular velocity appears to be regulated at a low value, countering the tendency of the star to spin up both from contraction toward the main sequence and from the accretion of inner disk material of high specific angular momentum. When the accretion disk is dissipated, this regulation mechanism will cease to function. At this point, the star is no longer maintained at a low angular velocity, but is 'free' to conserve its angular momentum, and thus to increase its angular velocity in response to contraction and changes in moment of inertia. This hypothesis, combined with a spread in disk dispersal time scales, provides a context for explaining the observed distribution of stellar rotational velocities for stars on the ZAMS in young clusters.

Edwards, Suzan↗
NASA NTRS2000

Float-Zone Growth of Gel-xSix (x ? 10 at .%) Single Crystals: Influence of Thermocapillary and Solutocapillary Convection

Gel-xSix (x ? 10 at.%) single crystals have been grown with the float-zone technique applied within a monoellipsoid mirror furnace. The feed crystal consisted of synthesized GeO.95siO.05 polycrystalline material. Two Boron-doped (much much more than 1-2 (raised dot) 1017 at/cm3) crystals were grown under identical conditions using <100> Ge seeds. One Ge:Ga-doped (much much more than 1018 at/cm3) reference crystal was also grown in the same furnace. Compositional profiles were measured with an energy dispersive analysis by X-ray (EDAX). The maximum silicon concentration attained was 10 at.%. Micrographs of the etched crystals show sharp changes in interface curvature at the crystal edges. These are considered to be caused by solutal Marangoni convection, whose strength is assumed to be a direct function of silicon concentration, Theoretical considerations show that the flow direction, velocity, and strength varies significantly from a solutal Marangoni convection regime directly in front of the solid-liquid interface to a thermal Marangoni convection regime within the bulk melt.

Campbell, Tom A.↗
NASA NTRSDate not supplied

Particle Loading Tests on HEPA Flat Sheet Media at Sub-Ambient Pressures Using a Lunar Dust Simulant

When humans return to the moon under the NASA Artemis program, their activities on the lunar surface will inevitably lead to the intrusion of some level of lunar dust into the lander cabin. Therein the crew would be exposed to the potential hazards of lunar dust and the possibility of subsequent transfer into orbiting segments after docking. The spacecraft’s cabin filtration system will need to be effective at removing the airborne lunar dust to properly purify the breathable cabin air and minimize the spreading of the dust throughout the vehicle and orbital segments through the mission duration. The fine nature of the lunar dust will require high efficiency filtration, such as HEPA. A series of tests were performed in a specially designed recirculating sealed flow loop, for testing filter media and filter elements at the NASA Glenn Research Center. The flow loop was used to assess the performance and capacity of flat sheet filter media at representative cabin pressures using JSC-1AF lunar dust simulant and at high rates of particle loading. The pressure drop across the filter media was measured as a function of accumulated particle mass load at ambient pressure and at two sub-ambient pressures, 0.0703MPa and 0.0565MPa, and at a media velocity that was scaled relative to its pleated configuration. The challenge particle flows were generated by a custom designed particle generator that introduces dispersed particles of the lunar simulant at high concentrations. An optical particle counting instrument provided filter efficiency measurements within the sealed environment. The pressure drop was found to increase linearly with the amount of dust load on the media, for all test conditions, while the starting pressure drop was found to be lower at the lowest sub-ambient pressure case. High filter efficiency was maintained after high particle loads on the media.

Sub-ambient↗
DOE OSTI2022

DED Additively Manufactured HEAs Optimized via Parametric Study of Functionally Graded Materials

Complex concentrated alloys (CCAs) are a system of alloys composition of nearly equiatomic elements, creating a state of high configurational entropy in the material. These alloys are of interest for various industrial applications due to their high strength and hardness, wide operational temperature range, creep and diffusion resistance, and radiation resistance. In the current work CoCrFeNi-base CCAs are synthesize by combining three commonly industrial alloys: IN718, SS316L, and 70Co30Cr (commercially known as Stellite 21), in-situ utilizing directed energy deposition (DED) additive manufacturing (AM). One bulk specimen is fabricated with a 1:1:1 ratio of IN718, SS316L, and 70Co30Cr where IN718 is a source of nickel and chrome, SS316 is a source of iron and chrome, and 70Co30Cr is a source of cobalt and supplemental chrome. Additionally, a functionally graded material (FGM) of the identified CCA system from SS316 was fabricated with 10 layers, where the initial five layers are the base material of SS316L and graded by steps of 20% to transition to the CCA system. Overall build quality, microstructure, compositional distribution, phases analysis, and microhardness were studied by laser optical microscopy, scanning election microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray diffraction analysis (XRD), and Vickers microhardness techniques. Overall build quality showed a successful bulk build with acceptable density, however unmelted particles are observed in the as-built alloy. Compositional results show that the system meets the Boltzmann’s hypothesis definition of an HEA, and that an FCC CCA was produced with increased hardness, small grain size, and superior hardness properties to the SS316L substrate. While initial XRD results show predominately FCC structure, EDS analysis of interdendritic regions show the existence of Laves phases in the material. The fabrication of an FGM CCA allowed for potential screening of additional alloy mixes which may be of interest to explore in future research, and the resulting composition is compared to predicted values. This novel method of CCA fabrication results in substantial cost savings of these CCA systems over traditional methods.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Covalently integrated silica nanoparticles in poly(ethylene glycol)-based acrylate resins: thermomechanical, swelling, and morphological behavior

Nanocomposites integrate functional nanofillers into viscoelastic matrices for electronics, lightweight structural materials, and tissue engineering. Herein, the effect of methacrylate-functionalized (MA-SiO 2 ) and vinyl-functionalized (V-SiO 2 ) silica nanoparticles on the thermal, mechanical, physical, and morphological characteristics of poly(ethylene glycol) (PEG) nanocomposites was investigated. The gel fraction of V-SiO 2 composites decreases upon addition of 3.8 wt% but increases with further addition (>7.4 wt%) until it reaches a plateau at 10.7 wt%. The MA-SiO 2 induced no significant changes in gel fraction and both V-SiO 2 and MA-SiO 2 nanoparticles had a negligible impact on the nanocomposite glass transition temperature and water absorption. The Young's modulus and ultimate compressive stress increased with increasing nanoparticle concentration for both nanoparticles. Due to the higher crosslink density, MA-SiO 2 composites reached a maximum mechanical stress at a concentration of 7.4 wt%, while V-SiO 2 composites reached a maximum at a concentration of 10.7 wt%. Scanning electron microscopy, transmission electron microscopy, and small-angle X-ray scattering revealed a bimodal size distribution for V-SiO 2 and a monomodal size distribution for MA-SiO 2 . Although aggregates were observed for both nanoparticle surface treatments, V-SiO 2 dispersion was poor while MA-SiO 2 were generally well-dispersed. Finally, these findings lay the framework for silica nanofillers in PEG-based nanocomposites for advanced manufacturing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of the electronic charge gap on LO bond-stretching phonons in undoped La 2 CuO 4 calculated using LDA + U

Typical density-functional theory calculations that wrongly predict undoped cuprates to be metallic also predict Cu-O half- and full-breathing phonon energies that are significantly softer than observed, presumably because of weak on-site Coulomb repulsion on the Cu 3d orbitals. We used DFT+U calculations with antiferromagnetic supercells of La 2 CuO 4 to establish correlation between the on-site repulsion strength, tuned via adjusting the value of U, and phonon dispersions. Here, we find that breathing and half-breathing phonons reach experimental values when U is tuned to obtain the correct optical gap and magnetic moments. We demonstrate that using distorted supercells within DFT+U is a promising framework to model phonons in undoped cuprates and other perovskite oxides with complex, interrelated structural and electronic degrees of freedom.

36 MATERIALS SCIENCE↗