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DOE OSTI2021

A New Route to Quantum-Scale Structures through a Novel Enhanced Germanium Diffusion Mechanism

This project sought to develop a fundamental understanding of the mechanisms underlying a newly observed enhanced germanium (Ge) diffusion process in silicon germanium (SiGe) semiconductor nanostructures during thermal oxidation. Using a combination of oxidationdiffusion experiments, high resolution imaging, and theoretical modeling, a model for the enhanced Ge diffusion mechanism was proposed. Additionally, a nanofabrication approach utilizing this enhanced Ge diffusion mechanism was shown to be applicable to arbitrary 3D shapes, leading to the fabrication of stacked silicon quantum dots embedded in SiGe nanopillars. A new wet etch-based method for preparing 3D nanostructures for highresolution imaging free of obscuring material or damage was also developed. These results enable a new method for the controlled and scalable fabrication of on-chip silicon nanostructures with sub-10 nm dimensions needed for next generation microelectronics, including low energy electronics, quantum computing, sensors, and integrated photonics.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Nb3Sn growth on niobium in vapor diffusion process and its application to large RF surface

Nb3Sn-coated SRF cavities can potentially achieve superior performance in terms of quality factor, accelerating gradient, and operating temperature. Tin vapor diffusion process of Nb3Sn coating on Nb is a simple, yet efficacious technique to fabricate Nb3Sn-coated SRF cavities. The process comprises two¬ steps: ?nucleation? followed by ?deposition?. The crucible with Sn/SnCl2 and the substrate at a constant temperature of about 500 °C for several hours is the ?nucleation?; the crucible and the substrate at a constant temperature, typically, above 1000 °C is the ?deposition? step. Using custom-built sample coating chamber, we have coated over a hundred samples to systematically study the vapor diffusion process under varying process conditions and at different stages of the coating process. The surfaces, thus obtained, were investigated with surface studies techniques, such as SEM/EDS, AFM, XPS, SAM, SIMS, EBSD and TEM. Based on the experimental results, we will discuss nucleation and growth of Nb3Sn coating during vapor diffusion process.

Pudasaini, Uttar↗

DOE OSTI2024

Quantification of the Crack Evolution Process by Extracting Relevant Signal Components from Wave Propagation and Diffusive Transport Front Measurements

Wave propagation and diffusive transport phenomena in a geological rock sample undergoing crack evolution process are expected to interact with the mechanical discontinuities in the medium. The measurements of the signals associated with these phenomena can be used to assess and monitor the crack-driven micromechanical alterations in the rock. Different wave/diffusion phenomena, such as sonic propagation, pressure diffusion, and acoustic emission (AE), are sensitive to different elements of the mechanical discontinuities generated during the evolution of the crack clusters from initiation to coalescence. Sonic propagation, AE, and pressure diffusion monitoring have the potential to map the crack evolution because the transmitter-receiver arrays can be designed, arranged and tuned to (1) achieve maximum recovery of the scattered waveforms and travel times, (2) capture the later arrivals and multiple reflections, and (3) illuminate large rock volume. However, the structural/topological complexities of the mechanical discontinuities, complex distribution of the stress fields, complex mechanical alterations in media, and fluid redistribution in the crack system pose serious challenges for the detection and modeling of the crack evolution process (from here on, we will use the term ‘crack evolution process’ to mean that the crack evolution occurred under shallow crustal conditions). For purposes of accurately accounting such complexities and heterogeneities in the absence of reliable physical laws, simulation methods, and signal processing techniques, my early-career research proposal will develop and apply novel data-driven machine learning methods to: (1) extract signal components relevant to the various phases of crack evolution and (2) generate a 2D visual map of the crack evolution process.

58 GEOSCIENCES↗

DOE OSTI2024

Reference Materials for Laser and Xenon Flash Thermal Diffusivity Systems

This report presents the status of current standard reference materials for thermal diffusivity testing. In most thermal properties testing systems, it is common to use standard reference materials to show the reproducibility of the tests and certify the instrument is producing results within expected uncertainty range. The definition of reference materials or standards vary depending on the quality control protocols of the project. For thermal diffusivity, although there were standards available by the National Bureau of Standards (NBS) 40 years ago, there has been no recent NIST standard reference material (SRM). There are only a few sources that produce and provide traceable reference standards for thermal diffusivity. The certificate typically expires in 5 years and only applies to the specific lot of materials. Other reference materials are provided by the testing systems manufacturers. They are mostly well-known reference materials or materials used by the equipment manufacturers with historic data. However, most these reference materials no longer carry valid certificates. Various reference materials will be discussed along with the industry practice when only secondary standards are available.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Probing Particle Diffusion around Two Nearby Pulsars with TeV Gamma-Ray Observations from HAWC

Nearby cosmic-ray accelerators, especially pulsar wind nebulae, are possible origins of the local multi-GeV positron excess. Pulsar Geminga and B0656+14, less than 300 pc from the Earth, have been postulated as the main sources of the positron excess. With one and half years of data, the HAWC gamma-ray observatory discovered very extended TeV gamma-ray structures produced from high-energy electrons and positrons around these two nearby middle-aged pulsars. Morphology studies suggest that the diffusion in the vicinity of these two pulsars is 100 times slower than the average in our Galaxy. This result provides important constraints on the origin of positron excess, but raises questions like why diffusion is so slow at high energies near these pulsars. With more than twice of data from the previous results, we now explore the possibility of energy-dependent diffusion at these sources.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Galactic Bar Resonances with Diffusion: An Analytic Model with Implications for Bar–Dark Matter Halo Dynamical Friction

Abstract The secular evolution of disk galaxies is largely driven by resonances between the orbits of “particles” (stars or dark matter) and the rotation of non-axisymmetric features (spiral arms or a bar). Such resonances may also explain kinematic and photometric features observed in the Milky Way and external galaxies. In simplified cases, these resonant interactions are well understood: for instance, the dynamics of a test particle trapped near a resonance of a steadily rotating bar is easily analyzed using the angle-action tools pioneered by Binney, Monari, and others. However, such treatments do not address the stochasticity and messiness inherent to real galaxies—effects that have, with few exceptions, been previously explored only with complex N -body simulations. In this paper, we propose a simple kinetic equation describing the distribution function of particles near an orbital resonance with a rigidly rotating bar, allowing for diffusion of the particles’ slow actions. We solve this equation for various values of the dimensionless diffusion strength Δ, and then apply our theory to the calculation of bar–halo dynamical friction. For Δ = 0, we recover the classic result of Tremaine and Weinberg that friction ultimately vanishes, owing to the phase mixing of resonant orbits. However, for Δ > 0, we find that diffusion suppresses phase mixing, leading to a finite torque. Our results suggest that stochasticity—be it physical or numerical—tends to increase bar–halo friction, and that bars in cosmological simulations might experience significant artificial slowdown, even if the numerical two-body relaxation time is much longer than a Hubble time.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Debiasing with Diffusion: Probabilistic Reconstruction of Dark Matter Fields from Galaxies with CAMELS

Abstract Galaxies are biased tracers of the underlying cosmic web, which is dominated by dark matter (DM) components that cannot be directly observed. Galaxy formation simulations can be used to study the relationship between DM density fields and galaxy distributions. However, this relationship can be sensitive to assumptions in cosmology and astrophysical processes embedded in galaxy formation models, which remain uncertain in many aspects. In this work, we develop a diffusion generative model to reconstruct DM fields from galaxies. The diffusion model is trained on the CAMELS simulation suite that contains thousands of state-of-the-art galaxy formation simulations with varying cosmological parameters and subgrid astrophysics. We demonstrate that the diffusion model can predict the unbiased posterior distribution of the underlying DM fields from the given stellar density fields while being able to marginalize over uncertainties in cosmological and astrophysical models. Interestingly, the model generalizes to simulation volumes ≈500 times larger than those it was trained on and across different galaxy formation models. The code for reproducing these results can be found athttps://github.com/victoriaono/variational-diffusion-cdm✎.

Astronomy & Astrophysics↗

DOE OSTI2021

Random sub-diffusion and capture of genes by the nuclear pore reduces dynamics and coordinates inter-chromosomal movement

Hundreds of genes interact with the yeast nuclear pore complex (NPC), localizing at the nuclear periphery and clustering with co-regulated genes. Dynamic tracking of peripheral genes shows that they cycle on and off the NPC and that interaction with the NPC slows their sub-diffusive movement. Furthermore, NPC-dependent inter-chromosomal clustering leads to coordinated movement of pairs of loci separated by hundreds of nanometers. We developed fractional Brownian motion simulations for chromosomal loci in the nucleoplasm and interacting with NPCs. These simulations predict the rate and nature of random sub-diffusion during repositioning from nucleoplasm to periphery and match measurements from two different experimental models, arguing that recruitment to the nuclear periphery is due to random sub-diffusion and transient capture by NPCs. Finally, the simulations do not lead to inter-chromosomal clustering or coordinated movement, suggesting that interaction with the NPC is necessary, but not sufficient, to cause clustering.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Magnetic Diffuse Scattering of YBaCo 4 O 7 and LuBaCo 4 O 7 on Kagome and Triangular Lattices

In this work, the magnetic diffuse scattering of YBaCo 4 O 7 and LuBaCo 4 O 7 with alternating kagome and triangular lattices has been studied through neutron scattering measurements on single-crystal samples. In YBaCo 4 O 7 , the line-shape-magnetic-diffuse scattering is observed around the magnetic transition temperature, which is consistent with the Monte Carlo simulation. In LuBaCo 4 O 7 , the line-shape-magnetic-diffuse scattering has not been detected. At low temperature, the propagation vectors of the observed magnetic reflections are different between YBaCo 4 O 7 and LuBaCo 4 O 7 . The structural distortion in RBaCo 4 O 7 is suggested to play a critical role for the magnetic properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1969

Metallic diffusion measured by a modified Knudsen technique

Diffusion coefficient of a metal in high temperature system is determined. From the measurement of the weight loss from a Knudsen cell, the vapor pressure of the escaping species can be calculated. If the only way this species can enter the Knudsen cell is by diffusion through a foil, the weight loss is diffusion flux.

Fray, D. J.↗

NASA NTRS1971

Solutions for Reacting and Nonreacting Viscous Shock Layers with Multicomponent Diffusion and Mass Injection

Numerical solutions are presented for the viscous shocklayer equations where the chemistry is treated as being either frozen, equilibrium, or nonequilibrium. Also the effects of the diffusion model, surface catalyticity, and mass injection on surface transport and flow parameters are considered. The equilibrium calculations for air species using multicomponent: diffusion provide solutions previously unavailable. The viscous shock-layer equations are solved by using an implicit finite-difference scheme. The flow is treated as a mixture of inert and thermally perfect species. Also the flow is assumed to be in vibrational equilibrium. All calculations are for a 45 deg hyperboloid. The flight conditions are those for various altitudes and velocities in the earth's atmosphere. Data are presented showing the effects of the chemical models; diffusion models; surface catalyticity; and mass injection of air, water, and ablation products on heat transfer; skin friction; shock stand-off distance; wall pressure distribution; and tangential velocity, temperature, and species profiles.

Moss, J. N.↗

NASA NTRS1972

Composition dependence of ion diffusion coefficients in gas mixtures at arbitrary field strengths

Expressions for the diffusion coefficient of ions in gas mixtures are obtained from momentum transfer theory, and are given in terms of the diffusion coefficients and drift velocities of the ions in the pure component gases. Blanc's law holds exactly at all field strengths if the mean free time between collisions is independent of velocity (Maxwell model), but otherwise there may be either positive or negative deviations from Blanc's law at high fields. Such deviations are of comparable magnitude for the diffusion coefficients and the mobility, but are not identical. Specific cases of inverse-power potentials are treated in further detail, and some numerical examples are given for rigid-sphere interactions.

Whealton, J. H.↗

NASA NTRS1972

Comparison of aerogrids and punched plates for smoothing flow from short annular diffusers

Scale model tests were conducted to evaluate the effectiveness of aerogrids and punched plates in producing flat velocity profiles downstream of short diffusers as would be used between the compressor and combustor of advanced aircraft engines. The diffuser had an area ratio of 4.17 and a length-to-inlet-height ratio of 2.07. The aerogrids tested were plates containing 1123 contoured venturis in parallel with geometric blockages of 83, 74, and 61 percent, respectively. The punched plates contained 1123 sharp-edged orifices with blockages of 58 and 30 percent. The results show that aerogrids, with higher effective blockage for the same pressure loss, are more effective flow-smoothing devices than the punched plates. Also, the overall pressure loss decreases and the exit velocity profile becomes flatter as either type of grid is moved closer to the diffuser exit plane.

Rumpf, R. L.↗

NASA NTRS1972

Self-diffusion of carbon and oxygen in dolomite.

Self-diffusion of carbon and oxygen in dolomite was measured by isotopic exchange with CO2 at 645-785 C at 120-935 bars pressure. Several runs were also made with calcite under comparable experimental conditions. The principal findings of this study are that (1) the self-diffusion coefficients of both carbon and oxygen in dolomite are approximately 100 times larger than the values in calcite over the temperature range investigated and (2) oxygen self-diffusion in calcite is accelerated by high CO2 pressure.

Anderson, T. F.↗

NASA NTRS1972

Cosmic-ray diffusion coefficient in interplanetary space.

The authors of three recent papers reporting cosmic-ray electron differential intensities near the earth during 1966 and 1968 in the rigidity range above 500 MV have concluded that the observations are not compatible with a diffusion coefficient that can be written as a product of a rigidity-dependent part and a part that is a function of heliocentric distance. It is shown in this paper that, with an interstellar electron spectrum and a near-earth spectrum given, a diffusion coefficient of the above form can always be determinedand the conclusion noted above cannot be sustained. Diffusion coefficients appropriate to the observations are given.

Gleeson, L. J.↗

NASA NTRS1972

Diffusion bonded columbium panels for the shuttle heat shield.

Work at North American Rockwell in the development of a satisfactory panel diffusion bonding method for Nb shuttle orbiter heat shield panel designs is reviewed. The topics include the diffusion bonding process, panel fabrication and quality control. A practicable Nb alloy diffusion bonding method, using a Ti foil interleaf, is described and is characterized as one providing a production basis at competitive cost.

Korb, L. J.↗

NASA NTRS1972

Augmentation of heat transfer by subsonic diffusion at a nearly separated state

Measurements of mean velocity, turbulence intensity, and wall heat transfer were obtained in a 13 deg total angle of divergence conical diffuser coupled to a constant diameter recovery section. The results indicated that the boundary layer was in a nearly separated state. Turbulence intensity levels approaching 0.4 were observed in the latter stages of diffusion. The convective heat transfer was always equal to or higher than corresponding values for fully developed pipe flow at the same Reynolds number. The augmentation in heat transfer was greatest during the latter stages of diffusion where the Stanton number was nearly three times the pipe flow value.

Boldman, D. R.↗

NASA NTRS1973

Hydrogen adsorption and diffusion, and subcritical-crack growth in high strength steels and nickel base alloys

Embrittlement, or the enhancement of crack growth by gaseous hydrogen in high strength alloys, is of primary interest in selecting alloys for various components in the space shuttle. Embrittlement is known to occur at hydrogen gas pressures ranging from fractions to several hundred atmospheres, and is most severe in the case of martensitic high strength steels. Kinetic information on subcritical crack growth in gaseous hydrogen is sparse at this time. Corroborative information on hydrogen adsorption and diffusion is inadequate to permit a clear determination of the rate controlling process and possible mechanism in hydrogen enhanced crack growth, and for estimating behavior over a range of temperatures and pressures. Therefore, coordinated studies of the kinetics of crack growth, and adsorption and diffusion of hydrogen, using identical materials, have been initiated. Comparable conditions of temperature and pressure will be used in the chemical and mechanical experiments. Inconel 718 alloy and 18Ni(200) maraging steel have been selected for these studies. Results from these studies are expected to provide not only a better understanding of the gaseous hydrogen embrittlement phenomenon itself, but also fundamental information on hydrogen adsorption and diffusion, and crack growth information that can be used directly for design.

Wei, R. P.↗