Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “spin diffusion”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ab initio prediction of rapid kinetics of Fe impurities in δ -Pu

Here, we study the formation energies of iron impurities in δ-Pu within spin–orbital-polarized density functional theory (SOP-DFT). The thermodynamic solubility limit of iron in δ-Pu is calculated, indicating low miscibility. We show that surprisingly, Fe impurities at equilibrium are almost equally likely to occupy octahedral interstitial sites or substitutional sites, with slight preference for the former. In contrast, we find the energy of the tetrahedral interstitial Fe to be nearly 1 eV higher than the octahedral one. We explore the energy landscape for Fe impurity hopping diffusion and conclude that Fe impurities in δ-Pu are divided into two populations: (i) Immobile substitutional Fe impurities and (ii) highly mobile interstitial Fe impurities. The latter, (ii), migrate between octahedral interstitial sites with an energy barrier of around 0.2 eV. The energy barrier for exchange between the two populations is calculated to exceed 0.7 eV. Finally, we discuss the role of magnetic order on the impurity energetics.

Atomic structure↗
NASA NTRS2003

NASA Tech Briefs, November 2003

Topics covered include: Computer Program Recognizes Patterns in Time-Series Data; Program for User-Friendly Management of Input and Output Data Sets; Noncoherent Tracking of a Source of a Data-Modulated Signal; Software for Acquiring Image Data for PIV; Detecting Edges in Images by Use of Fuzzy Reasoning; A Timer for Synchronous Digital Systems; Prototype Parts of a Digital Beam-Forming Wide-Band Receiver; High-Voltage Droplet Dispenser; Network Extender for MIL-STD-1553 Bus; MMIC HEMT Power Amplifier for 140 to 170 GHz; Piezoelectric Diffraction-Based Optical Switches; Numerical Modeling of Nanoelectronic Devices; Organizing Diverse, Distributed Project Information; Eigensolver for a Sparse, Large Hermitian Matrix; Modified Polar-Format Software for Processing SAR Data; e-Stars Template Builder; Software for Acoustic Rendering; Functionally Graded Nanophase Beryllium/Carbon Composites; Thin Thermal-Insulation Blankets for Very High Temperatures; Prolonging Microgravity on Parabolic Airplane Flights; Device for Locking a Control Knob; Cable-Dispensing Cart; Foam Sensor Structures Would be Self-Deployable and Survive Hard Landings; Real-Gas Effects on Binary Mixing Layers; Earth-Space Link Attenuation Estimation via Ground Radar Kdp; Wedge Heat-Flux Indicators for Flash Thermography; Measuring Diffusion of Liquids by Common-Path Interferometry; Zero-Shear, Low-Disturbance Optical Delay Line; Whispering-Gallery Mode-Locked Lasers; Spatial Light Modulators as Optical Crossbar Switches; Update on EMD and Hilbert-Spectra Analysis of Time Series; Quad-Tree Visual-Calculus Analysis of Satellite Coverage; Dyakonov-Perel Effect on Spin Dephasing in n-Type GaAs; Update on Area Production in Mixing of Supercritical Fluids; and Quasi-Sun-Pointing of Spacecraft Using Radiation Pressure.

Source record↗
DOE OSTI2026

High Pressure Synthesis of Ultrasmall Nanodiamonds with Nitrogen Vacancy Centers

C–H terminated nanometer scale diamonds ( d = 1 to 15 nm) are synthesized from 1-fluoroadamantane at high pressure (6–8 GPa) and high temperature (500–1500 °C) in a multianvil press. High resolution transmission electron microscopy, X-ray diffraction, Raman, diffuse reflectance Fourier transform infrared, and X-ray absorption spectroscopies demonstrate the excellent crystallinity and atomically flat C–H terminated surfaces of nanodiamonds with (111) and (110) facets. The importance of hydrogen to the synthesis of nanodiamond and its faceting is discussed. Following vacancy generation, annealing and oxidation of the nanodiamonds, optically detected magnetic resonance and electron spin resonance coherence times ( T 2 = 0.9 and 2.1 μs) of nitrogen vacancy (NV) centers are measured. Finally, the obtained T 2 values are equivalent to the shallow NV centers (depth <10 nm) in bulk diamond crystals and larger nanocrystals prepared by mechanical milling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optimizing Material Selection and Operational Conditions for XHV Systems: Lessons from AISI 1020 and 316L Comparative Studies

In this study, AISI 1020 low-carbon steel is investigated as a cost-effective alternative to SS316 stainless steel for reaching extreme high vacuum (XHV) conditions. After being baked at 400°C, a vacuum chamber made of the low-carbon steel material exhibited an outgassing rate approximately 2000 times smaller than a similar chamber made of stainless steel. Its activation energy for hydrogen diffusion (27 kJ/mol) is less than half that of stainless steel (60.3 kJ/mol), indicating more efficient hydrogen removal during bakeout. MolFlow+ simulations supported the experimental data and demonstrated the importance of system geometry optimization and minimizing stainless steel content for achieving optimal vacuum performance. AISI 1020's magnetic properties, typically considered disadvantageous for accelerator applications, could benefit spin-polarized electron sources by shielding photocathodes from stray fields while simultaneously providing improved vacuum through reduced outgassing. To optimize AISI 1020's performance in XHV systems, practical considerations include pre-baking protocols and careful system design to minimize stainless steel components.

Al-Allaq, Aiman H.↗
DOE OSTI2021

Spatial correlations of entangled polymer dynamics

The spatial correlations of entangled polymer dynamics are examined by molecular dynamics simulations and neutron spin-echo spectroscopy. Due to the soft nature of topological constraints, the initial spatial decays of intermediate scattering functions of entangled chains are, to the first approximation, surprisingly similar to those of an unentangled system in the functional forms. However, entanglements reveal themselves as a long tail in the reciprocal-space correlations, implying a weak but persistent dynamic localization in real space. Furthermore, comparison with a number of existing theoretical models of entangled polymers suggests that they cannot fully describe the spatial correlations revealed by simulations and experiments. In particular, the strict one-dimensional diffusion idea of the original tube model is shown to be flawed. The dynamic spatial correlation analysis demonstrated in this work provides a useful tool for interrogating the dynamics of entangled polymers. Lastly, the failure of the investigated models to even qualitatively predict the spatial correlations of collective single-chain density fluctuations points to a possible critical role of incompressibility in polymer melt dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Optical and microstructural characterization of Er 3+ doped epitaxial cerium oxide on silicon

Rare-earth ion dopants in solid-state hosts are ideal candidates for quantum communication technologies, such as quantum memories, due to the intrinsic spin–photon interface of the rare-earth ion combined with the integration methods available in the solid state. Erbium-doped cerium oxide (Er:CeO 2 ) is a particularly promising host material platform for such a quantum memory, as it combines the telecom-wavelength (~ 1.5 μm) 4f–4f transition of erbium, a predicted long electron spin coherence time when embedded in CeO 2 , and a small lattice mismatch with silicon. In this work, we report on the epitaxial growth of Er:CeO 2 thin films on silicon using molecular beam epitaxy, with controlled erbium concentration between 2 and 130 parts per million (ppm). We carry out a detailed microstructural study to verify the CeO 2 host structure and characterize the spin and optical properties of the embedded Er 3+ ions as a function of doping density. In as-grown Er:CeO 2 in the 2–3 ppm regime, we identify an EPR linewidth of 245(1) MHz, an optical inhomogeneous linewidth of 9.5(2) GHz, an optical excited state lifetime of 3.5(1) ms, and a spectral diffusion-limited homogeneous linewidth as narrow as 4.8(3) MHz. We test the annealing of Er:CeO 2 films up to 900 °C, which yields narrowing of the inhomogeneous linewidth by 20% and extension of the excited state lifetime by 40%.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Experimental and computer studies of the radiation effects in silicon solar cells

A summary of selected experimental results obtained on lithium-diffused bulk silicon is presented. Particular emphasis is placed on the radiation-induced degradation and thermal annealing of minority carriers in bulk silicon because solar cell output is related to the minority carrier lifetime. The temperature dependence of the minority carrier lifetime indicates the density and energy levels of the recombination centers and provides clues to their identity. Electron spin resonance and infrared absorption techniques are used to investigate the introduction and anneal of three specific radiation induced defects, which are thought to contribute to the recombination process.

Leadon, R. E.↗
NASA NTRS1978

Three-dimensional plasma measurements within the earth's magnetosphere

Magnetospheric measurements of three-dimensional velocity distributions for positive ions and electrons in the energy range from 1 eV to 45 keV are reported which were obtained with quadrispherical Lepedeas on ISEE 1 and 2. The instrumentation is briefly described, and an extension of energy-time spectrograms to three-dimensional summaries via the use of ancillary energy-spin phase spectrograms for multiple analyzers is outlined. Macroscopic plasma parameters for two crossings of the dayside magnetopause are presented, along with a preliminary evaluation of the kinematical motions of low-energy charged particles within the terrestrial ring current. Nonmonotonic electron velocity distributions presumably related to the generation of electron cyclotron harmonic instabilities are examined. The possible signature of diffusion driven by electrostatic waves is considered, and velocity distributions of positive ions in the dawn magnetotail are investigated.

Frank, L. A.↗
DOE OSTI2025

Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom

The precise understanding of adsorption energetics and molecular geometry at catalytic sites is fundamental for advancing catalysis, particularly under the constraints of resource efficiency and environmental sustainability. Here, this study benchmarks the performance of density functional theory (DFT) calculations against diffusion Monte Carlo (DMC) calculations for adsorption properties of small gas molecules relevant to CO oxidation—namely O 2 , CO, CO 2 , and atomic oxygen—on a single Pt atom supported by pristine graphene. Our findings reveal that DMC calculations provide a significantly different landscape of adsorption energetics compared to DFT results. Notably, DFT predicts different lowest-energy configurations and spin states, particularly for O 2 , which suggests potential discrepancies in predicting the catalytic behavior. Furthermore, this study identifies the critical issue of CO poisoning, highlighted by the large disparity between the DMC adsorption energies of O 2 (−1.23(2) eV) and CO (−3.37(1) eV), which can inhibit the catalytic process. These results emphasize the necessity for more sophisticated computational approaches in catalysis research, aiming to refine the prediction accuracy of reaction mechanisms and to enhance the design of more effective catalysts.

Ahn, Jeonghwan [University of Illinois at Urbana-C↗
DOE OSTI2020

The Habitable Zone Planet Finder Reveals a High Mass and Low Obliquity for the Young Neptune K2-25b

Using radial velocity data from the Habitable Zone Planet Finder, we have measured the mass of the Neptune-sized planet K2-25b, as well as the obliquity of its M4.5 dwarf host star in the 600–800 Myr Hyades cluster. This is one of the youngest planetary systems for which both of these quantities have been measured and one of the very few M dwarfs with a measured obliquity. Based on a joint analysis of the radial velocity data, time-series photometry from the K2 mission, and new transit light curves obtained with diffuser-assisted photometry, the planet’s radius and mass are 3.44 ± 0.12 R {sub ⊕} and 24.5{sub −5.2}{sup +5.7}M{sub ⊕}. These properties are compatible with a rocky core enshrouded by a thin hydrogen–helium atmosphere (5% by mass). We measure an orbital eccentricity of e = 0.43 ± 0.05. The sky-projected stellar obliquity is λ = 3° ± 16°, compatible with spin–orbit alignment, in contrast to other “hot Neptunes” that have been studied around older stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Quasilinear theory for inhomogeneous plasma

Here, this paper presents quasilinear theory (QLT) for a classical plasma interacting with inhomogeneous turbulence. The particle Hamiltonian is kept general; for example, relativistic, electromagnetic and gravitational effects are subsumed. A Fokker–Planck equation for the dressed ‘oscillation-centre’ distribution is derived from the Klimontovich equation and captures quasilinear diffusion, interaction with the background fields and ponderomotive effects simultaneously. The local diffusion coefficient is manifestly positive-semidefinite. Waves are allowed to be off-shell (i.e. not constrained by a dispersion relation), and a collision integral of the Balescu–Lenard type emerges in a form that is not restricted to any particular Hamiltonian. This operator conserves particles, momentum and energy, and it also satisfies the H -theorem, as usual. As a spin-off, a general expression for the spectrum of microscopic fluctuations is derived. For on-shell waves, which satisfy a quasilinear wave-kinetic equation, the theory conserves the momentum and energy of the wave–plasma system. The action of non-resonant waves is also conserved, unlike in the standard version of QLT. Dewar's oscillation-centre QLT of electrostatic turbulence is proven formally as a particular case and given a concise formulation. Also discussed as examples are relativistic electromagnetic and gravitational interactions, and QLT for gravitational waves is proposed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

Phosphine photochemistry in the atmosphere of Saturn

The photochemistry of PH3 in the atmosphere of Saturn is studied, including the effects of coupling with the photochemistries of NH3 and hydrocarbons. The vertical concentration of PH3 is found to be extremely sensitive to the eddy diffusion coefficient (K) profile used. If K is roughly 10,000 sq cm/sec in the upper troposphere, PH3 should be depleted there with a scale height of about 3.5 km. An upper limit of 100,000 sq cm/sec is estimated for K. If the gas phase concentration of P2H4 can be neglected, production of molecular phophorus is very unlikely unless the spin-forbidden recombination reaction PH+H2+M - PH3+M occurs with an exceptionally low rate. Coupling of PH3 and hydrocarbon photochemistries is very important. Possible observable amounts of the organophosphorus molecules CH3PH2 and HCP are tentatively predicted.

Kaye, J. A.↗
NASA NTRS1990

Electron-positron heating and the eclipsing millisecond pulsar PSR 1957 + 20

The companion in the eclipsing millisecond PSR 1957 + 20 appears to be strongly heated by the pulsar and may also be rapidly losing mass due to that heating. A new mechanism is presented by which the heating may be accomplished: diffusion of mildly relativistic electron-positron pairs from the pulsar's relativistic wind through a thermal wind issuing from the companion. Wave-particle scattering regulates the depth at which the pairs deposit their energy; requirements of self-consistency place bounds on the wave spectrum and pair distribution function. If the pairs carry over about 10 percent of the pulsar spin-down luminosity, and the companion's heavy element abundance is subsolar, the heating rate can be adequate to drive a wind with sufficient momentum flux to explain the eclipse geometry. Annihilation photons then heat the companion beneath its photosphere and supply a significant part of the power for the optical luminosity. This model also suggests that the eclipse duration decreases sharply above a critical photon frequency.

Krolik, Julian H.↗
DOE OSTI2026

Surface Hydroxyls of Imogolite Nanotubes Drive Distinct Structures and Mobility Differentiation of Nanoconfined Water

Abstract Nanoconfined fluids, particularly water, govern subsurface geochemistry, yet the molecular-level mechanisms by which mineral surfaces dictate confined water structure and mobility remain poorly resolved. Here, we combine solution- and solid-state proton (1H) NMR spectroscopy, NMR relaxometry, modulated-gradient spin–echo (MGSE) NMR diffusometry, infrared spectroscopy, and molecular dynamics simulations to demonstrate that surface hydroxyls drive the structural and dynamic differentiation of water in imogolite nanotubes. In saturated suspensions, we observe the coexistence of distinct water 1H environments, each exhibiting significantly reduced mobility, which we attribute to strong interactions with the imogolite surfaces. As more mobile water is removed, long-range water diffusivity in the fibrous solid samples slows to 1.6 × 10–10 m2·s–1 while local fluctuations increase to 3.4 × 10–8 m2·s–1, indicating a significant increase in molecular restriction through surface interactions. Together, our experiments reveal three coexisting populations with varied structures and mobilities, all distinct from liquid bulk water. We resolve a persistent solid-like interfacial layer strongly bound to surface hydroxyls, characterized by an unusually short T2 (<1 ms), and a very close effective 1H–1H distance of ∼1.55 Å between water and the inner-surface silanol group. An inner-core population occupying the inner cavity exhibits an intermediate dynamic regime with restricted axial diffusion, while outer-surface water associated with aluminum hydroxyls retains relatively higher mobility. These results experimentally substantiate a hierarchy of water populations in imogolite and show how surface chemistry dictates the structures and dynamics of confined water.

Fleming, Xander B. [Earth and Environmental Scienc↗
DOE OSTI2026

Accelerating multicanonical sampling with irreversibility

Flat-histogram Monte Carlo simulations are well-established, robust methods to perform random walks in a physical observable or parameter space, making them suitable for finding ground states or studying phase transitions in complex systems in statistical physics. However, their efficiency can be limited by the time to attain the desired flat distribution, which is generally unknown prior to the simulations. In particular, they might suffer from slowing down towards the end of a simulation due to the diffusive nature of random walks. In this work we apply irreversibility to the multicanonical Monte Carlo method via the lifting approach to alleviate this behavior. We achieve a 2–4 times speedup in ground-state search for a two-dimensional (2D) Ising model, and up to an order of magnitude of speedup for finding the ground-state energy in an Edwards–Anderson spin glass, compared to traditional multicanonical sampling. In conclusion, the round-trip times between ground states show a narrower distribution and are significantly shorter compared to the reversible counterpart, suggesting that a lower convergence time with a smaller time variance is feasible.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Antiferromagnetic Fe Te 2 1 T - phase formation at the Sb 2 Te 3 / Ni 80 Fe 20 interface

Bilayer topological insulator/ferromagnet (TI/FM) heterostructures are promising for spintronic applications due to their low switching energy and therefore power efficiency. Until recently, the reactivity of TI with FM films was overlooked in the spin orbit-torque literature, even though there are reports that it is energetically favorable for TIs to react with transition metals and form interfacial layers. Here, in this study we fabricated a TI/FM heterostructure comprised of molecular beam epitaxy grown Sb 2 Te 3 and DC sputtered Ni 80 Fe 20 . Broadband ferromagnetic resonance revealed spin-pumping evident by the significant enhancement in Gilbert damping, which is likely a signature of the topological surface states or the presence of large spin-orbit-coupling in the adjacent Sb 2 Te 3 . With low-temperature magnetometry, an exchange bias is observed which indicates an exchange interaction between an antiferromagnet (AFM) and an adjacent FM. Cross-section high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) characterization of the Sb 2 Te 3 - Ni 80 Fe 20 bilayer revealed a complex interface showing diffusion of Fe and Ni into the Sb 2 Te 3 film yielding the formation of a FeTe 2 1T-type structural phase. Furthermore, density functional theory calculations revealed that the FeTe 2 1T-phase has an AFM ground state. Due to experimental limitations in the electron energy loss spectroscopy measurements precise chemistry of the interfacial phase could not be determined, therefore it is possible that the FeTe 2 1T and/or an intermixed (Fe 1-x Ni x )Te 2 1T is the AFM interfacial phase contributing to exchange bias in the system. This work emphasizes the chemical complexity of TI/FM interfaces that host novel, metastable magnetic topological phases and require more in-depth studies of other similar interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Further characterization of spectral features attributable to titanium on the moon

The following transitions are observed in the electronic absorption spectra of lunar titanaugites: Fe(2+) spin-allowed and spin-forbidden crystal field; Ti(3+) spin allowed and Jahn-Teller split crystal field; Ti(3+)-Ti(4+) CT; Fe(2+)-Ti(4+) CT; and O(2-)-Fe(2+), Ti(3+), Ti(4+) CT. Of these, the transitions involving Ti(3+) are unique to lunar or nonferric-bearing titanaugites. All titanaugites have the Fe(2+) crystal field and Fe(2+)-Ti(4+) CT transitions in common. These features in the diffuse reflectance spectra of lunar materials give rise to the '1.0 band' and to the observed absorption around 0.5-0.6 micron, respectively. Since regolith contains a variety of phases with coexisting Fe(2+), Ti(3+), and Ti(4+) ions, several metal-metal charge transfer processes are possible.

Burns, R. G.↗