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DOE OSTI2025

Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation

High-temperature corrosion resistance depends critically on the formation of a passivating surface oxide, which is highly sensitive to alloy composition and structure. Such details often elude experimental investigation, and simplified analytical models fail to provide a truly chemical view of passivating oxide evolution. Here, we explicitly compare the fundamental chemistry of Cr and Al as prototypical passivating elements in Ni alloys by directly simulating competing reaction and diffusion processes within the oxide film using kinetic Monte Carlo and density functional theory. We find that the origin and expression of passivating behavior during early-stage thermal oxidation are qualitatively different between the two alloy systems. Ni–Cr alloys feature a sudden onset of passivation associated with a sharp phase transition upon Cr enrichment that directly couples oxidation kinetics to phase transformation behavior. In contrast, Ni–Al alloys display more continuous oxide phase variation with Al enrichment, ultimately resulting in a lower composition threshold for passivation and a thinner passivating layer. In addition, we elucidate the nonobvious role of metal exchange within the alloy near the oxide boundary, which fundamentally alters film composition and passivating behavior. Furthermore, our results have key implications for engineering improved corrosion-resistant alloys, both in terms of compositional variation and processing.

Alloys↗

DOE OSTI2020

Direct observation of the formation and stabilization of metallic nanoparticles on carbon supports

Direct formation of ultra-small nanoparticles on carbon supports by rapid high temperature synthesis method offers new opportunities for scalable nanomanufacturing and the synthesis of stable multi-elemental nanoparticles. However, the underlying mechanisms affecting the dispersion and stability of nanoparticles on the supports during high temperature processing remain enigmatic. In this work, we report the observation of metallic nanoparticles formation and stabilization on carbon supports through in situ Joule heating method. We find that the formation of metallic nanoparticles is associated with the simultaneous phase transition of amorphous carbon to a highly defective turbostratic graphite (T-graphite). Molecular dynamic (MD) simulations suggest that the defective T-graphite provide numerous nucleation sites for the nanoparticles to form. Furthermore, the nanoparticles partially intercalate and take root on edge planes, leading to high binding energy on support. This interaction between nanoparticles and T-graphite substrate strengthens the anchoring and provides excellent thermal stability to the nanoparticles. These findings provide mechanistic understanding of rapid high temperature synthesis of metal nanoparticles on carbon supports and the origin of their stability.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Strain-affected ferroelastic domain walls in RbMnFe charge-transfer materials undergoing collective Jahn–Teller distortion

Many rubidium manganese hexacyanoferrate materials, with the general formula Rb x Mn[Fe(CN) 6 ] (x+2)/3 ·zH 2 O, exhibit diverse charge-transfer-based functionalities due to the bistability between a high temperature Mn II (S = 5/2)Fe III (S = 1/2) cubic phase and a low-temperature Mn III (S = 2)Fe II (S = 0) tetragonal phase. The collective Jahn–Teller distortion on the Mn sites is responsible for the cubic-to-tetragonal ferroelastic phase transition, which is associated with the appearance of ferroelastic domains. In this study, we use X-ray diffraction to reveal the coexistence of 3 types of ferroelastic tetragonal domains and estimate the spatial extension of the strain around the domain walls, which represents about 30% of the volume of the crystal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Assessment of deep levels with selenium concentration in Cd 1–x Zn x Te 1–y Se y room temperature detector materials

Incorporation of Se into Cd 1–x Zn x Te (CZT) to form the quaternary compound semiconductor Cd 1–x Zn x Te 1–y Se y (CZTS) has proven to be an effective solution for compensating the major flaws associated with CZT, including poor homogeneity and high concentrations of electronically active deep levels that limit the performance of CZT detectors. In order to investigate how deep levels are affected by the Se concentration in CZTS, we performed photoinduced current transient spectroscopy (PICTS) measurements on CZTS crystals grown by the traveling heater method (THM) with 10% atomic Zn and varying atomic percentage of Se from 1.5% to 7.0%. The PICTS scans for up to 4% Se showed an exponential reduction in the capture cross section of deep levels associated with Te secondary phases in conjunction with an increase in a deep level positioned near the mid-gap, which initially increases the electron trapping time before degrading again at higher Se concentrations. The PICTS peaks present in 7% Se were anomalous relative to the other crystals and are expected to originate from transition metal impurities found in the lower-purity CdSe precursor material.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Tensor network formulation of two-dimensional gravity

We show how to formulate a lattice gauge theory whose naive continuum limit corresponds to two-dimensional (Euclidean) quantum gravity including a positive cosmological constant. More precisely the resultant continuum theory corresponds to gravity in a first-order formalism in which the local frame and spin connection are treated as independent fields. Recasting this lattice theory as a tensor network allows us to study the theory at strong coupling without encountering a sign problem. In two dimensions this tensor network is exactly soluble and we show that the system has a series of critical points that occur for pure imaginary coupling and are associated with first order phase transitions. We then augment the action with a Yang-Mills term which allows us to control the lattice spacing and show how to apply the tensor renormalization group to compute the free energy and look for critical behavior. Finally we perform an analytic continuation in the gravity coupling in this extended model and show that its critical behavior in a certain scaling limit depends only on the topology of the underlying lattice. We also show how the lattice gauge theory can be naturally generalized to generate the Polyakov or Liouville action for two dimensional quantum gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Self-generated electrokinetic flows from active-charged boundary patterns

We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature nonuniform distributions of charge nonuniform active ionic fluxes. The hydrodynamic velocity arising in such a system has components that are forbidden by symmetry in the absence of charge and fluxes. However, when these two boundary mechanisms are simultaneously present, they can lead to a symmetry broken state where steady flows with both unidirectional and circulatory components emerge. We show that these flow states arise when modulated boundary patterns of charge and fluxes are offset by a flux-charge phase difference, which is associated with the separation between sites of their peak densities on the wall. Mismatch in diffusivity of cationic and anionic species can modify the flow states and becomes an enhancing factor when fluxes of both ion species are being produced together at the same site. We demonstrate that this mechanism can be realized with a microfluidic generator that is powered by enzyme-coated patches that catalyze reactants in the solution to produce fluxes of ions. The local ionic elevation or depletion, which disrupts a nonuniform double layer, promotes self-induced gradients yielding persistent body forces to generate bulk fluid motion. Our work quantifies a boundary-driven mechanism behind self-sustained electrolyte flow in confined environments that exists without any external bulk-imposed fields or gradients. It provides a theoretical framework for understanding the combined effect of active and charged boundaries that are relevant in biological or soft matter systems, and can be utilized in electrofluidic and iontronic applications.

active matter↗

DOE OSTI2020

Effects of Vegetation and Topography on the Boundary Layer Structure above the Amazon Forest

Observational data from two field campaigns in the Amazon forest were used to study the vertical structure of turbulence above the forest. The analysis was performed using the reduced turbulent kinetic energy (TKE) budget and its associated two-dimensional phase space. Results revealed the existence of two regions within the roughness sublayer in which the TKE budget cannot be explained by the canonical flat-terrain TKE budgets in the canopy roughness sublayer or in the lower portion of the convective ABL. Data analysis also suggested that deviations from horizontal homogeneity have a large contribution to the TKE budget. Results from LES of a model canopy over idealized topography presented similar features, leading to the conclusion that flow distortions caused by topography are responsible for the observed features in the TKE budget. These results support the conclusion that the boundary layer above the Amazon forest is strongly impacted by the gentle topography underneath.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

On the Nature of Surface Defects Found in 2/0 N-Doped 9-Cell Cavities

In this contribution, we present a systematic study on the microstructure of 1.3 GHz 9-cell TESLA type SRF cavity, processed with 2/0 Nitrogen-doping surface treatment, to explain the premature quench phenomena commonly observed in N-doping treated cavities. The microstructure characterization was carried out using Secondary electron images, advanced metallurgical techniques such as EBSD in parallel with chemical information obtained from spectroscopic techniques. The most remarkable difference is observed in the ends-cavities (1 and 9), which showed roughening of the surface, revealing a series of morphologies associated with Nb cubic phase. The cell-to-cell analysis also showed standard features such as pits with different geometry and distribution, located in grains and grain boundaries. The defects found in this system suggest that the standard electropolishing chemical etching was insufficient to eliminate history defects produced during the manufacture of the cavity, without discarding the role of the impurities, N and O, that could have induced the growth of these morphologies.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

ALP-Assisted Electroweak Phase Transition and Baryogenesis

Axion-like particles (ALPs) can be naturally lighter than the electroweak scale. We consider an ALP that couples to the Standard Model Higgs to achieve the strong first-order electroweak phase transition. We discuss the two-field dynamics of the phase transition and the associated computation in detail and identify the viable parameter space. The ALP mass can be from the MeV to GeV scale. Baryon asymmetry can be explained by local baryogenesis without violating the electron electric dipole moment bound. The viable parameter space can be probed through Higgs exotic decay, rare kaon decay, the electron electric dipole moment, and the effective number of neutrinos in the cosmic microwave background. The gravitational-wave signal is too weak to be detected.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Draft ASME Code Case to qualify L-PBF 316H material for Section III, Division 5 applications

This report documents the AMMT program’s development and submission of a draft ASME Code Case to qualify Laser Powder Bed Fusion (L PBF) Type 316H stainless steel for Section III, Divi-sion 5 Class A and SM high temperature nuclear applications. It summarizes the technical basis, the comprehensive high temperature mechanical test database assembled between 2023–2026, and the proposed code language and qualification framework submitted to ASME. The work was co-ordinated across multiple national laboratories and leverages prior ASME efforts to integrate additive manufacturing into the Boiler & Pressure Vessel Code. The body of the report describes the experimental database and analysis supporting the Code Case: tensile, creep, fatigue, creep fatigue, and thermal aging tests collected from multiple additive manufacturing sites, machine types, and powder lots, with material processed by a solution anneal heat treatment. The dataset — including both full size and subsized specimens and tests oriented parallel and perpendicular to build direction — shows limited tensile anisotropy, tensile properties comparable to wrought 316H, creep strength within the scatter of wrought material, but markedly reduced creep ductility above about 650 °C associated with rapid σ phase formation in L PBF microstructures. The draft Code Case itself prescribes a staged qualification model (manufacturing process qualification, component qualification, and per build witness testing), treats L PBF components as equivalent to Type 316 weld metal for design and inspection, and requires mechanical, chemical, and metallographic controls tied to ASTM/ISO 52946. Key acceptance criteria include tensile tests within a 90% prediction interval of the AMMT dataset, a creep fatigue screening test adapted from ASME Section III, Division 5, Subsection HB, HBB 2800 but with the cycle acceptance reduced to 100 for L PBF material, and double volumetric inspection of production components. The report concludes that the present data support treating L PBF 316H as analogous to conventional fusion weld metal for Division 5 design and inspection, while highlighting important caveats: the σ phase driven loss of creep ductility above ~650 °C, preliminary indications of enhanced creep fatigue sensitivity in some lots, and remaining gaps in long term aging and additional cyclic testing. Recommended next actions include completing outstanding cyclic and long duration creep/aging tests on the solution annealed condition, supporting inclusion of the 316H chemistry and heat treatment in ASTM/ISO 52946, and continuing engagement with ASME and NRC during balloting and review to enable industry adoption.

Messner, Mark C. (ORCID:0000000200404385)↗

NASA NTRS1976

Flare build-up study; Proceedings of the Workshop, Falmouth, Mass., September 8-11, 1975

The papers deal with problems which might be common to solar flares and earth's magnetosphere, problems associated with the initial phases of the flare phenomenon, the acceleration processes that seem to occur in flares and the magnetosphere, as well as the buildup and storage of flare energy in magnetic-field structures. Topics include the active role of magnetic fields in providing flare energy, current-sheet models of solar flares, the role of plasma turbulence in flare development, similarities and differences between magnetospheric substorms and solar flares, observations of magnetic merging in earth's magnetotail during magnetospheric substorms, evidence for magnetic-energy storage in coronal active regions, the possible role of transition-zone instabilities in preflare energy buildup, and flare energy storage and deposition. Other papers discuss energy release through the interaction of coronal magnetic fields, photospheric electric currents as a source of flare energy, magnetic-energy buildup in the solar atmosphere, magnetic and velocity fields in an active region, flare onset at meter wavelengths, laboratory experiments on field-line reconnection, key problems in auroral flare processes, and the solar-physics Shuttle/Spacelab program. Individual items are announced in this issue.

Svestka, Z.↗

NASA NTRS1982

Aspects of the history of 66095 based on trace elements in clasts and whole rock

Halogens, P, U and Na are reported in anorthositic and basaltic clasts and matrix from rusty rock 66095. Large fractions of Cl and Br associated with the separated phases from 66095 are soluble in H2O. Up to two orders of magnitude variation in concentrations of these elements in the breccia components and varying H2O-soluble Cl/Br ratios indicate different sources of volatiles. An approximately constant ratio of the H2O- to 0.1 M HNO3-soluble Br in the various components suggests no appreciable alteration in the original distributions of this element in the breccia forming processes. Up to 50% or more of the phosphorus and of the non-H2O-soluble Cl was dissolved from most of the breccia components by 0.1 M HNO3. Clast and matrix residues from the leaching steps contain, in most cases, the Cl/P2O5 ratio found in 66095 whole rock and in a number of other Apollo 16 samples. Evidence that phosphates are the major P-phases in the breccia is based on the 0.1 M acid solubility of Cl and P in the matrix sample and on elemental concentrations which are consistent with those of KREEP.

Jovanovic, S.↗

NASA NTRS1984

The Z3 model of Saturns magnetic field and the Pioneer 11 vector helium magnetometer observations

Magnetic field observations obtained by the Pioneer 11 vector helium magnetometer are compared with the Z(sub 3) model magnetic field. These Pioneer 11 observations, obtained at close-in radial distances, constitute an important and independent test of the Z(sub 3) zonal harmonic model, which was derived from Voyager 1 and Voyager 2 fluxgate magnetometer observations. Differences between the Pioneer 11 magnetometer and the Z(sub 3) model field are found to be small (approximately 1%) and quantitatively consistent with the expected instrumental accuracy. A detailed examination of these differences in spacecraft payload coordinates shows that they are uniquely associated with the instrument frame of reference and operation. A much improved fit to the Pioneer 11 observations is obtained by rotation of the instrument coordinate system about the spacecraft spin axis by 1.4 degree. With this adjustment, possibly associated with an instrumental phase lag or roll attitude error, the Pioneer 11 vector helium magnetometer observations are fully consistent with the Voyager Z(sub 3) model.

Connerney, J. E. P.↗

NASA NTRS1984

Microwave, soft and hard X-ray imaging observations of two solar flares

A set of microwave and hard X-ray observations of two flares observed simultaneously with the Very Large Array (VLA) and the Solar Maximum Mission Hard X-ray Imaging Spectrometer (SMM-HXIS) are presented. The LVA was used at 6 cm to map the slowly varying and burst components in three neighboring solar active regions (Boulder Nos. 2522, 2530, and 2519) from approximately 14:00 UT until 01:00 UT on June 24-25, 1980. Six microwave bursts less than 30 sfu were observed, and for the strongest of these, two-dimensional 'snapshot' (10 s) maps with spatial resolution of 5 in. were synthesized. HXIS data show clear interconnections between regions 2522 and 2530. The X-ray observations present a global picture of flaring activity, while the VLA data show the complexity of the small magnetic structures associated with the impulsive phase phenomena. It is seen that energy release did not occur in a single isolated magnetic structure, but over a large area of intermingled loop structures.

Kundu, M. R.↗

NASA NTRS1984

The Z3 model of Saturn's magnetic field and the Pioneer 11 vector helium magnetometer observations

Magnetic field observations obtained by the Pioneer 11 vector helium magnetometer are compared with the Z(sub 3) model magnetic field. These Pioneer 11 observations, obtained at close-in radial distances, constitute an important and independent test of the Z(sub 3) zonal harmonic model, which was derived from Voyager 1 and Voyager 2 fluxgate magnetometer observations. Differences between the Pioneer 11 magnetometer and the Z(sub 3) model field are found to be small (approximately 1 percent) and quantitatively consistent with the expected instrumental accuracy. A detailed examination of these differences in spacecraft payload coordinates shows that they are uniquely associated with the instrument frame of reference and operation. A much improved fit to the Pioneer 11 observations is obtained by rotation of the instrument coordinate system about the spacecraft spin axis by 1.4 degree. With this adjustment, possibly associated with an instrumental phase lag or roll attitude error, the Pioneer 11 vector helium magnetometer observations are fully consistent with the Voyager Z(sub 3) model.

Connerney, J. E. P.↗

NASA NTRS1986

Transient engine performance with water ingestion

The immediate effects on the transient performance of a generic, high bypass ratio jet engine on account of water ingestion are discussed. The air compression subsystem has been analyzed with respect to four aerothermodynamic and mechanical processes associated with two-phase fluid flow and the engine simulation has been carried out under three limiting cases of interest in practice, one pertaining to draining of water at the end of compression and the other two, to partial evaporation at two different locations in the burner. General observations are made on engine operability as a function of engine and control design under various engine and (control input) sensor operating conditions, with various mass fractions of water in the air-water mixture entering the engine, during various pilot-initiated power demand changes.

Haykin, T.↗

NASA NTRS1986

The structure, energetics and evolution of the dominant frequency-dependent three-dimensional atmospheric modes

The three-dimensional structure of the dominant modes of wintertime variability are examined, and the mode structures are determined by an EOF analysis of the coupled vertical mean and shear streamfunction fields for a wide range of time-scale classes. The time mean energy conversions are determined from a two-layer quasigeostrophic model. Lag-cross correlations between the dominant low-frequency modes tend to be small and/or symmetric about zero, the high frequency modes are found to show highly asymmetric sinusoidal cross correlation functions similar to traveling waves, and some intermediate and short-time scale modes exhibit correlations indicating an association with the decaying phases of blocking in the Pacific. It is suggested that the mean flow barotropic (baroclinic) instabilities are an important source of variance for some of the lowest (highest) fluctuations considered.

Schubert, S. D.↗

NASA NTRS1988

Optimum structural sizing for gust induced response

The present paper describes an optimization capability for sizing airframe structures that are subjected to a combination of deterministic and random loads. Design constraints are implemented to prevent structural failure in fatigue and due to a single exceedance of the allowable stress. The random load is treated as a stationary, homogeneous process with a Gaussian probability distribution, and a frequency domain method is used for the computation of dynamic response parameters. An equal-probability-of-load-combination criterion is proposed in the formulation of strength constraints. This alleviates problems associated with the incomplete phase information available when using power spectral density methods. The optimization procedure is illustrated by examples using typical built-up structures.

Hajela, P.↗